MORIKAWA Yoshitada 森川良忠

Researcher Number	80358184
Other IDs
External Links
Affiliation (Current)	2025: 大阪大学, 大学院工学研究科, 教授
Affiliation (based on the past Project Information) *help	2021 – 2025: 大阪大学, 大学院工学研究科, 教授 2016 – 2021: 大阪大学, 工学研究科, 教授 2017: 大阪大学, 工学系研究科, 教授 2016 – 2017: 大阪大学, 大学院工学研究科, 教授 2012 – 2016: 大阪大学, 工学(系)研究科(研究院), 教授 … More 2014: 大阪大学, 大学院工学研究科, 教授 2011 – 2012: 大阪大学, 大学院・工学研究科, 教授 2009 – 2010: 大阪大学, 工学研究科, 教授 2009: 大阪大学, 工学部, 教授 2008 – 2009: 大阪大学, 産業科学研究所, 教授 2006 – 2009: 大阪大学, 産業科学研究所, 准教授 2008: 大阪大学, 大学院・産業科学研究所, 准教授 2007: 大阪大学, 所究研学科業産, 准教授 2004 – 2007: 大阪大学, 産業科学研究所, 助教授 Less
Review Section/Research Field	Principal Investigator Science and Engineering / Broad Section D / Basic Section 28030:Nanomaterials-related / Physical chemistry / Science and Engineering Except Principal Investigator Science and Engineering / Science and Engineering / Transformative Research Areas, Section (II) / Medium-sized Section 28:Nano/micro science and related fields / Basic Section 28030:Nanomaterials-related … More / Material processing/Microstructural control engineering / Physical chemistry / Nanomaterials/Nanobioscience / Production engineering/Processing studies / Functional materials/Devices / Condensed matter physics I Less
Keywords	Principal Investigator 密度汎関数理論 / 界面 / 分子動力学法 / 反応 / 触媒 / 燃料電池 / 第一原理分子動力学法 / 計算物理 / 半導体 / 表面 … More / 吸着 / 第一原理電子状態計算 / 密度汎関数法 / 電子状態 / 金属 / DFT / 並列計算 / 物性理論 / 表面・界面物性 / 半導体物性 / ナノコンタクト / シミュレーション / クラスター展開 / ステップ / キネティック・モンテ・カルロ / メタノール合成 / 反応速度 / マルチスケールシミュレーション / 拡散 / 合金 / Zn / 機械学習ポテンシャル / CO / 水素化 / 不均一触媒 / 第一原理計算 / 二酸化炭素 / H / Cu / 原子間力ポテンシャル / 機械学習 / エッチング / Si / メタ・ダイナミクス / 化学反応 / 臭化ベンゼン / 塩化ベンゼン / リガンド・フリー / トランスメタル化 / 酸化的付加 / 鈴木-宮浦クロスカップリング / 第一原理分子動力学 / メタ・ダイナミクス法 / 自由エネルギー / Ptクラスター / 有機分子 / vdW-DF / 第一原理シミュレーション / BEDT-TTF / オーダーN / ホログラム / 磁性半導体 / 新エネルギー / 電子材料 / ナノ材料 / 第一原理 / 表面・界面 / SrTiO3 / X線損傷 / スピントロニクス / グラフェン / ファン・デル・ワールス / 酸化物 / ドーパント / 表面科学 / 不純物拡散 / ホウ素 / シリコン / 電気化学反応 / 有機・金属界面 / サブミクロンサイズ / 擬ポテンシャル法 / GW近似 / KKR法 / オーダーN法 / サブクミクロンサイズ / 量子シミュレータ … More Except Principal Investigator 第一原理計算 / 活性サイト / 超秩序構造 / 原子分解能ホログラフィー / 表面・界面物性 / 有機半導体 / 先端材料 / 不純物 / 電子回折イメージング / 表面界面ホログラフィー / 蛍光X線ホログラフィー / 光電子ホログラフィー / ドーパント / ナノ材料 / HF / Pt / 解離吸着 / エッチング / GaN / SiC / 触媒援用加工法 / 界面 / 電子状態 / 探針増強ラマン散乱分光 / ヘリセン誘導体 / STM-TERS / キラル認識 / 探針増強ラマン分光 / 走査トンネル顕微鏡 / キラル分子認識 / 微小重力実験 / 局所構造 / 逆モンテカルロ法 / トポロジー解析 / PDF解析 / ガラス / 複合欠陥 / 量子ビーム / アモルファス / 欠陥 / 化学反応解析 / 酸化物 / 巨大誘電応答 / 理論化学 / 物性物理 / 金属含有タンパク質 / 大域的構造探索 / 分子動力学計算 / 化学反応計算 / 大規模第一原理計算 / 局所機能構造科学 / 機能物質 / モノマー金属ポルフィリン錯体 / 金属ポルフィリン錯体 / ダイマー金属ポルフィリン錯体 / 金属含有環状化合物 / ナノコンポジット / 銅環状化合物 / ポルフィリン錯体 / ガスバイオロジー / 生体ガスセンサー / 半導体単層カーボンナノチューブ / H2O / NEB / 触媒反応 / メタダイナミックス / 水分子 / 窒化ガリウム / シリコンカーバイド / FDTD法 / 光と物質の相互作用 / 表面界面系 / 物性材料 / 量子ドット / 界面・表面物性 / 物性理論 / 鏡像ポテンシャル準位 / 半無限結晶表面 / 量子井戸 / ファンデルワールス力 / 密度汎関数法 / キャリア伝導機構 / 構造歪み / vdW密度汎関数 / ファン・デル・ワールス（vdW）相互作用 / Wannier関数 / 分子配向 / イオン化ポテンシャル・電子親和力 / GW近似 / ファン・デル・ワールス力 / バンド構造 / 結晶構造 / キャリア輸送 / 飛び移り積分 / 分子間力 / 有機半導体結晶 / 蛍光X線ﾎﾛｸﾞﾗﾌｨｰ / 蛍光Ｘ線ホログラフィー / Interfacial Electronic Structure / Organic Photovoltaic Cell / Photoelectron Spectroscopy / Organic Light-emitting Diode / Organic Semiconductors / Surface and Interface Phenomena / Organic Electronic Devices / Ultrathin Films / 有機電界効果トランジスタ / 有機電界発光素子 / 方面・界面物性 / 界面電子構造 / 有機太陽電池 / 光電子分光 / 電界発光素子 / 表面、界面物性 / 有機電子デバイス / 超薄膜 / ドーバント / 表面・界面 / ホログラフィー / ナノ物質 / キラリティ / 一分子計測 / 円偏光発光 / キラル分子 / 一分子科学 / NEB法 / 活性化エネルギー / 第一原理分子動力学シミュレーション / CARE / 触媒援用化学エッチング / 反応バリア / 触媒 / 触媒援用加工 / ワイドバンドギャップ半導体 / 超精密加工 / 分子動力学法 / モデリング / 原子間力モデル / 電極反応 / 非平衡ダイナミクス / 熱伝導 / 第一原理分子動力学法 / 近赤外 / フタロシアニン / 計算化学 / 固体系色素増感太陽電池 / 色素増感太陽電池 / 会合体 / 近赤外色素 / 光電変換 / 有効遮蔽 / 水素発生反応 / ブルームーンアンサンブル法 / 有効遮蔽媒質法 / 分子動力学シミュレーション / 電気二重層 / シミュレーション / 分子動力学 / 燃料電池 / 電気化学反応 / 固液界面 / 輻射力 / 電子輸送 / 光吸収 / 電磁場応答 / カーボンナノチューブ / 計算物理 / トンネル遷移 / 分子デバイス / トンネル分光 / 化学吸着 / ナノ系電子輸送 / ナノ接合 / 単分子エレクトロニクス / 分子吸着系 / 量子輸送 / 分子架橋 / ナノプローブ / ナノ表面物性 / 遮蔽KKR法 / 輸送現象 / フルポテンシャルKKR / 手法の公開と普及 / LDAを超える手法 / オーダー N 法 / LDA を超えて / 計算コードの普及と公開 / デバイスデザイン / 量子シミュレータ / オーダーN法 / LDAを超えて / 計算マテリアルデザイン / 計算機マテリアルデザイン / 量子シミュレーション / 量子デザイン Less

多階層連結計算とオペランド計測による界面反応デジタルツインの構築と応用Principal Investigator
- Principal Investigator
  
  森川良忠
- Project Period (FY)
  2025 – 2029
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Review Section
  
  Broad Section D
- Research Institution
  The University of Osaka
大規模・高精度な第一原理計算による超秩序構造の機能解明とデザイン
- Principal Investigator
  
  中田彩子
- Project Period (FY)
  2020 – 2024
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  National Institute for Materials Science
Supervision and research support based on a platform for hyper-ordered structures science
- Principal Investigator
  
  林好一
- Project Period (FY)
  2020 – 2024
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Nagoya Institute of Technology
Molecular-level Analysis of the Chiral Recognition Process: From Molecular Structure and its Optical Asymmetry
- Principal Investigator
  
  Kuwahara Yuji
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 28:Nano/micro science and related fields
- Research Institution
  Osaka University
Dynamical Theory for Heterogeneous Catalysts using Multi-scale Quantum SimulationsPrincipal Investigator
- Principal Investigator
  
  Morikawa Yoshitada
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 28030:Nanomaterials-related
- Research Institution
  Osaka University
Management and research support by platform construction of 3D active-site science
- Principal Investigator
  
  大門寛
- Project Period (FY)
  2019
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Toyota Physical and Chemical Research Institute
Exploration of functions of porphyrin complex-decorated carbon nanotubes and their application to biological gas sensing
- Principal Investigator
  
  Katayama Mitsuhiro
- Project Period (FY)
  2018 – 2021
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 28030:Nanomaterials-related
- Research Institution
  Osaka University
Construction of oversea base and international network for 3D active site science
- Principal Investigator
  
  DAIMON Hiroshi
- Project Period (FY)
  2015 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nara Institute of Science and Technology
Analysis of reaction process in Catalyst-refered etching by means of first-principles calculations
- Principal Investigator
  
  Inagaki Kouji
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Material processing/Microstructural control engineering
- Research Institution
  Osaka University
Supervision and research support by platform construction of 3D active-site science
- Principal Investigator
  
  DAIMON Hiroshi
- Project Period (FY)
  2014 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nara Institute of Science and Technology
First-principles Theoretical Elucidation and Design of Active Sites in Functional MaterialsPrincipal Investigator
- Principal Investigator
  
  Morikawa Yoshitada
- Project Period (FY)
  2014 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
First-principles simulations of chemical reactions using meta-dynamics schemePrincipal Investigator
- Principal Investigator
  
  Morikawa Yoshitada
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Physical chemistry
- Research Institution
  Osaka University
Theoretical study on the carrier transport properties of organic crystals based on the precise determination of the crystal geometry and the band structure
- Principal Investigator
  
  YANAGISAWA Susumu
- Project Period (FY)
  2014 – 2016
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  University of the Ryukyus
Interface atomic structure and electronic structure of adsorbed nano-molecular systems
- Principal Investigator
  
  ISHIDA Hiroshi
- Project Period (FY)
  2013 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Nihon University
Chiral science of an individual molecule
- Principal Investigator
  
  KUWAHARA YUJI
- Project Period (FY)
  2012 – 2016
- Research Category
  
  Grant-in-Aid for Scientific Research (S)
- Research Field
  
  Nanomaterials/Nanobioscience
- Research Institution
  Osaka University
Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods
- Principal Investigator
  
  TSUNEYUKI Shinji
- Project Period (FY)
  2010 – 2014
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  The University of Tokyo
Analysis of CAtalyst-Referred etching by means of first-principles calculations
- Principal Investigator
  
  INAGAKI Kouji
- Project Period (FY)
  2010 – 2012
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Production engineering/Processing studies
- Research Institution
  Osaka University
Development of Non-covalent Assemblies of Phthalocyanines for High Efficiency Photovoltaics
- Principal Investigator
  
  MANSEKI Kazuhiro
- Project Period (FY)
  2008 – 2009
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Functional materials/Devices
- Research Institution
  Osaka University
Design of new type multifunctional device based on nanotubes
- Principal Investigator
  
  AJIKI Hiroshi
- Project Period (FY)
  2007 – 2011
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
First principles simulation of electrochemical reaction at metal/water interface
- Principal Investigator
  
  OTANI Minoru
- Project Period (FY)
  2007 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Condensed matter physics I
- Research Institution
  National Institute of Advanced Industrial Science and Technology
  The University of Tokyo
Development of New Quantum Simulators and Quantum Design
- Principal Investigator
  
  AKAI Hidazumi
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Development and opening of quantum simulators for submicron-scale systemsPrincipal Investigator
- Principal Investigator
  
  MORIKAWA Yoshitada
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Development and Application of Large-scale Parallel QuantumMolecular Dynamics SimulatorsPrincipal Investigator
- Principal Investigator
  
  MORIKAWA Yositada
- Project Period (FY)
  2005 – 2008
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Osaka University
Theory of nano-link molecules
- Principal Investigator
  
  TSUKADA Masaru
- Project Period (FY)
  2005 – 2009
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Waseda University
Elucidation and Control of Interfaces Related to Organic Electronic Devices
- Principal Investigator
  
  SEKI Kazuhiko
- Project Period (FY)
  2002 – 2006
- Research Category
  
  Grant-in-Aid for Creative Scientific Research
- Research Institution
  Nagoya University

[Book] Density Functional Theory Calculations for Materials with Complex Structures2023
- Author(s)
  Ayako Nakata, Yoshitada Morikawa
- Total Pages
  30
- Publisher
  Springer
- ISBN
  9789819952342
- Data Source
  KAKENHI-PLANNED-20H05883
[Book] 3D Local Structure and Functionality Design of Materials2019
- Author(s)
  H.Daimon, T. Matsushita, F. Matsui, K. Hayashi, W. Vogelei, Y. Wakabayashi, K. Gohara, H. Shioya, J. Yamasaki, H. Sekiguchi, Y.C.Sasaki, Y.Morikawa, Y. Takano, N. Kobayashi, H. Ishii, K. Hirose, T. Fukumura, D. Oka, Y. Kubozono,, H. Goto, H. Yamada, H. Sekiguchi
- Total Pages
  209
- Publisher
  Maruzen Publishing, World Scientific
- ISBN
  9789813273665
- Data Source
  KAKENHI-PLANNED-26105010
[Book] シミュレーション辞典2012
- Author(s)
  森川良忠
- Publisher
  コロナ社
- Data Source
  KAKENHI-PLANNED-19054013
[Book] シミュレーション辞典2012
- Author(s)
  森川良忠(分担執筆)
- Publisher
  コロナ社
- Data Source
  KAKENHI-PLANNED-19054013
[Book] 計算機マテリアルデザイン入門(笠井秀明、赤井久純、吉田博編)2005
- Author(s)
  森川良忠
- Total Pages
  397
- Publisher
  大阪大学出版会
- Data Source
  KAKENHI-PROJECT-17069013
[Book] 計算機マテリアルデザイン入門2005
- Author(s)
  笠井秀明, 赤井久純, 吉田博, 編, 赤井久純, 小口多美夫, 小倉昌子, 小野倫也, 笠井秀明, 草部浩一, 佐藤和則, 白井光雲, Dino Wilson, Agerico Tan, 浜田典昭, 広瀬喜久治, 森川良忠, 柳瀬章, 吉田博, 分担執筆
- Total Pages
  397
- Publisher
  大阪大学出版会
- Data Source
  KAKENHI-PROJECT-14GS0213
[Book] 計算機マテリアルデザイン入門2005
- Author(s)
  笠井秀昭, 赤井久純, 吉田博編, 赤井久純, 森川良忠, 他12名執筆
- Total Pages
  397
- Publisher
  大阪大学出版会
- Data Source
  KAKENHI-PROJECT-17064009
[Book] 「計算機マテリアルデザイン入門」,笠井秀明,赤井久純,吉田博編,"基礎4STATE.Senri","応用4STATE-Senri"pp.54-72,260-2732005
- Author(s)
  森川良忠
- Total Pages
  397
- Publisher
  大阪大学出版会
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] CO Hydrogenation Promoted by Oxygen Atoms Adsorbed onto Cu(100)2024
- Author(s)
  Nagita Kaito、Kamiya Kazuhide、Nakanishi Shuji、Hamamoto Yuji、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 128 Issue: 11 Pages: 4607-4615
- DOI
  10.1021/acs.jpcc.4c00666
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02569
[Journal Article] Origin of the Surface Facet Dependence in the Oxidative Etching of the Diamond (111) and (100) Surfaces from First-Principles Calculations2024
- Author(s)
  Enriquez John Isaac G.、Yamasaki Takahiro、Michiuchi Masato、Inagaki Kouji、Geshi Masaaki、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 128 Issue: 15 Pages: 6294-6308
- DOI
  10.1021/acs.jpcc.3c08378
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-23KJ1431, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] Stability of PdxOy Particles Supported on Strontium Titanate Perovskite under Three-Way Catalyst Operating Conditions: Implications for Sintering Resistance2024
- Author(s)
  Thanh Ngoc Pham, Beatriz Andrea Choi Tan, Yuji Hamamoto, KoujiInagaki, Ikutaro Hamada,and Yoshitada Morikawa
- Journal Title
  
  ACS Catalysis
  
  Volume: 14 Issue: 3 Pages: 1443-1458
- DOI
  10.1021/acscatal.3c05673
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K03419, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] DFT investigation of the oxygen reduction reaction over nitrogen (N) doped graphdiyne as an electrocatalyst: the importance of pre-adsorbed OH* and the solvation effect2023
- Author(s)
  Wang Yuelin、Pham Thanh Ngoc、Halim Harry H.、Yan Likai、Morikawa Yoshitada
- Journal Title
  
  Materials Advances
  
  Volume: 4 Issue: 24 Pages: 6542-6552
- DOI
  10.1039/d3ma00502j
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22KJ2131, KAKENHI-PLANNED-20H05883
[Journal Article] Origin of unexpected Ir3+ in superconducting candidate Sr2IrO4 analyzed by photoelectron holography2023
- Author(s)
  R. Horie, T. Matsushita, S. Kawamura, T. Hase K. Horigane, H. Momono, S. Takeuchi, H. Tomita, Y. Hashimoto, K. Kobayashi, Y. Haruyama, H. Daimon, Y. Morikawa, M. Taguchi, J. Akimitsu
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 62 Issue: 28 Pages: 10897-10904
- DOI
  10.1021/acs.inorgchem.2c03788
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22K18692, KAKENHI-PLANNED-20H05882, KAKENHI-PLANNED-20H05883, KAKENHI-PLANNED-20H05884, KAKENHI-PLANNED-23H04870, KAKENHI-PROJECT-23K20227
[Journal Article] “Chiral Recognition Mechanism of Two-Dimensional Self-Assembly Formed by [7]Thiaheterohelicene” .2023
- Author(s)
  Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Kouji Inagaki, Akira Saito, Hideji Osuga, Yoshitada Morikawa, and Yuji Kuwahara
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 127(43) Issue: 43 Pages: 21305-21312
- DOI
  10.1021/acs.jpcc.3c04406
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22KK0071, KAKENHI-PROJECT-20H00333, KAKENHI-PROJECT-23K26571
[Journal Article] Machine learning molecular dynamics simulation of CO-driven formation of Cu clusters on the Cu(111) surface2023
- Author(s)
  Halim Harry H、Ueda Ryo、Morikawa Yoshitada
- Journal Title
  
  Journal of Physics: Condensed Matter
  
  Volume: 35 Issue: 49 Pages: 495001-495001
- DOI
  10.1088/1361-648x/acf2d8
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] The quantitative study of methane adsorption on the Pt(997) step surface as the initial process for reforming reactions2023
- Author(s)
  Choi Young Hyun、Putra Septia Eka Marsha、Shiozawa Yuichiro、Tanaka Shunsuke、Mukai Kozo、Hamada Ikutaro、Morikawa Yoshitada、Yoshinobu Jun
- Journal Title
  
  Surface Science
  
  Volume: 732 Pages: 122284-122284
- DOI
  10.1016/j.susc.2023.122284
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H00343, KAKENHI-PLANNED-18H05517, KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-20H02569
[Journal Article] Polymorphs of Titanium Dioxide: An Assessment of the Variants of Projector Augmented Wave Potential of Titanium on Their Geometric and Dielectric Properties2023
- Author(s)
  Varadwaj Pradeep R.、Dinh Van An、Morikawa Yoshitada、Asahi Ryoji
- Journal Title
  
  ACS Omega
  
  Volume: 8 Issue: 24 Pages: 22003-22017
- DOI
  10.1021/acsomega.3c02038
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PUBLICLY-23H04105
[Journal Article] Electronic and optical properties of the hydrogen boride sheet from the many-body perturbation theory2023
- Author(s)
  Thi Ta Luong、Morikawa Yoshitada、Hamada Ikutaro
- Journal Title
  
  Journal of Physics: Condensed Matter
  
  Volume: 35 Issue: 43 Pages: 435002-435002
- DOI
  10.1088/1361-648x/ace8e3
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883
[Journal Article] 超秩序構造の理論計算による解明に向けて-第一原理計算や分子動力学、機械学習による解析-2023
- Author(s)
  中田彩子、宮崎剛、鷹野優、森川良忠
- Journal Title
  
  CERAMICS JAPAN
  
  Volume: 58 Pages: 522-526
- Data Source
  KAKENHI-PLANNED-20H05883
[Journal Article] First-Principles Microkinetic Study of NO Reduction on Cu Catalysts2023
- Author(s)
  Al Fauzan Muhammad Rifqi、Pham Thanh Ngoc、Halim Harry Handoko、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 127 Issue: 39 Pages: 19451-19467
- DOI
  10.1021/acs.jpcc.3c02820
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] Atomic Imaging of Interface Defects in an Insulating Film on Diamond2023
- Author(s)
  Fujii Mami N.、Tanaka Masaki、Tsuno Takumi、Hashimoto Yusuke、Tomita Hiroto、Takeuchi Soichiro、Koga Shunjo、Sun Zexu、Enriquez John Isaac、Morikawa Yoshitada、Mizuno Jun、Uenuma Mutsunori、Uraoka Yukiharu、Matsushita Tomohiro
- Journal Title
  
  Nano Letters
  
  Volume: 23 Issue: 4 Pages: 1189-1194
- DOI
  10.1021/acs.nanolett.2c04176
- Peer Reviewed / Open Access / Int'l Joint Research
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  KAKENHI-PLANNED-20H05883, KAKENHI-PLANNED-20H05884, KAKENHI-PUBLICLY-21H05564, KAKENHI-PROJECT-23K23226
[Journal Article] Hydrogenation of Formate Species Using Atomic Hydrogen on a Cu(111) Model Catalyst2022
- Author(s)
  Kotaro Takeyasu, Yasutaka Sawaki, Takumi Imabayashi, Septia Eka Marsha Putra, Harry Handoko Halim, Jiamei Quan, Yuji Hamamoto, Ikutaro Hamada, Yoshitada Morikawa, Takahiro Kondo, Tadahiro Fujitani, and Junji Nakamura
- Journal Title
  
  Journal of the American Chemical Society
  
  Volume: 144 Issue: 27 Pages: 12158-12166
- DOI
  10.1021/jacs.2c02797
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  KAKENHI-PROJECT-22K04919, KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20K21099, KAKENHI-PLANNED-18H05519
[Journal Article] Activity and selectivity of N2 fixation on B doped g-C9N10: a density functional theory study2022
- Author(s)
  Wang Yuelin、Pham Thanh Ngoc、Yan Likai、Morikawa Yoshitada
- Journal Title
  
  Journal of Materials Chemistry C
  
  Volume: 10 Issue: 32 Pages: 11791-11800
- DOI
  10.1039/d2tc02041f
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569, KAKENHI-PROJECT-22KJ2131
[Journal Article] Density functional theory study of NO-H2O coadsorption on Cu(111)2022
- Author(s)
  Pham Thanh Ngoc、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  Physical Review Materials
  
  Volume: 6 Issue: 7 Pages: 75801-75801
- DOI
  10.1103/physrevmaterials.6.075801
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569, KAKENHI-PROJECT-21J10648
[Journal Article] Elucidation of Cu-Zn Surface Alloying on Cu(997) by Machine-Learning Molecular Dynamics2022
- Author(s)
  Halim Harry H.、Morikawa Yoshitada
- Journal Title
  
  ACS Physical Chemistry Au
  
  Volume: 2 Issue: 5 Pages: 430-447
- DOI
  10.1021/acsphyschemau.2c00017
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] Adsorption of toxic gases on borophene: surface deformation links to chemisorptions2021
- Author(s)
  Ta Luong Thi、Hamada Ikutaro、Morikawa Yoshitada、Dinh Van An
- Journal Title
  
  RSC Advances
  
  Volume: 11 Issue: 30 Pages: 18279-18287
- DOI
  10.1039/d1ra02738g
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-20H02569
[Journal Article] A flat-lying dimer as a key intermediate in NO reduction on Cu(100)2021
- Author(s)
  Kuroishi Kenta、Al Fauzan Muhammad Rifqi、Pham Thanh Ngoc、Wang Yuelin、Hamamoto Yuji、Inagaki Kouji、Shiotari Akitoshi、Okuyama Hiroshi、Hatta Shinichiro、Aruga Tetsuya、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 31 Pages: 16880-16887
- DOI
  10.1039/d1cp02746h
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-19H01825, KAKENHI-PROJECT-20H02569
[Journal Article] Multi-scale Simulation of Equilibrium Step Fluctuations on Cu(111) Surfaces2021
- Author(s)
  Halim Harry Handoko、Putra Septia Eka Marsha、Muttaqien Fahdzi、Hamada Ikutaro、Inagaki Kouji、Hamamoto Yuji、Morikawa Yoshitada
- Journal Title
  
  ACS Omega
  
  Volume: 6 Issue: 8 Pages: 5183-5196
- DOI
  10.1021/acsomega.0c05064
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Journal Article] Isotope effect of methane adsorbed on fcc metal (1 1 1) surfaces2021
- Author(s)
  Putra Septia Eka Marsha、Morikawa Yoshitada、Hamada Ikutaro
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 780 Pages: 138943-138943
- DOI
  10.1016/j.cplett.2021.138943
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569, KAKENHI-PLANNED-18H05519
[Journal Article] Mechanistic insight into oxygen vacancy migration in SrFeO3-δ from DFT+U simulations2021
- Author(s)
  Alaydrus Musa、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 23 Issue: 34 Pages: 18628-18639
- DOI
  10.1039/d1cp02452c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20H02569
[Journal Article] Dry Reforming of Methane on Cobalt Catalysts: DFT-Based Insights into Carbon Deposition Versus Removal2021
- Author(s)
  Wong YeeJie、Halim Harry H.、Khairudin N. Fazila、Pham Thanh Ngoc、Putra Septia E. M.、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Mohamed Abdul Rahman、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 125 Issue: 40 Pages: 21902-21913
- DOI
  10.1021/acs.jpcc.1c04819
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] Adsorption of CO2 on Pt terrace surface, stepped, and defective sites: A combined TPD and DFT study2021
- Author(s)
  Wong YeeJie、Choi Young Hyun、Tanaka Shunsuke、Yoshioka Haruka、Mukai Kozo、Halim Harry H.、Mohamed Abdul Rahman、Inagaki Kouji、Hamamoto Yuji、Hamada Ikutaro、Yoshinobu Jun、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 125 Issue: 43 Pages: 23657-23668
- DOI
  10.1021/acs.jpcc.1c05228
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569
[Journal Article] Chemical stability of hydrogen boride nanosheets in water2021
- Author(s)
  Kurt Irvin Rojas, Nguyen Thanh Cuong, Hiroaki Nishino, Ryota Ishibiki, Shin-ichi Ito, Masahiro Miyauchi, Yoshitaka Fujimoto, Satoshi Tominaka, Susumu Okada, Hideo Hosono, Nelson Jr., Arboleda, Takahiro Kondo, Yoshitada Morikawa, Ikutaro Hamada
- Journal Title
  
  Communications Materials 2 (2021) 81. (8 pages)
  
  Volume: 2 Issue: 1 Pages: 1-8
- DOI
  10.1038/s43246-021-00184-5
- NAID
  120007185343
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-21H00015, KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-19H02551, KAKENHI-PROJECT-20H02569, KAKENHI-PROJECT-17K05053, KAKENHI-PROJECT-21K04876, KAKENHI-PLANNED-18H05519
[Journal Article] Role of intermolecular interactions in catalytic reaction of formic acid on Cu(111)2021
- Author(s)
  A. Shiotari, S. E. M. Putra, Y. Shiozawa, Y. Hamamoto, K. Inagaki, Y. Morikawa Y. Sugimoto, J. Yoshinobu, and I. Hamada
- Journal Title
  
  Small
  
  Volume: 2021 Issue: 20 Pages: 2008010-2008010
- DOI
  10.1002/smll.202008010
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05519, KAKENHI-PROJECT-18H01807, KAKENHI-PROJECT-18H03859, KAKENHI-PROJECT-20H02569
[Journal Article] Oxidative etching mechanism of diamond (100) surface2021
- Author(s)
  J. I. Enriquez, F. Muttaqien, M. Michiuchi, K. Inagaki, M. Geshi, I. Hamada, Y. Morikawa
- Journal Title
  
  Carbon
  
  Volume: 174 Pages: 36-51
- DOI
  10.1016/j.carbon.2020.11.057
- NAID
  120006952200
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-20H02569
[Journal Article] Theoretical study on adsorption and reaction of polymeric formic acid on the Cu(111) surface2021
- Author(s)
  Putra Septia Eka Marsha、Muttaqien Fahdzi、Hamamoto Yuji、Inagaki Kouji、Shiotari Akitoshi、Yoshinobu Jun、Morikawa Yoshitada、Hamada Ikutaro
- Journal Title
  
  Physical Review Materials
  
  Volume: 5 Issue: 7 Pages: 75801-75801
- DOI
  10.1103/physrevmaterials.5.075801
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883, KAKENHI-PROJECT-20H02569, KAKENHI-PLANNED-18H05517, KAKENHI-PLANNED-18H05519
[Journal Article] Insight into Trimeric Formation of Nitric Oxide on Cu(111): A Density Functional Theory Study2020
- Author(s)
  Pham Thanh Ngoc、Hamamoto Yuji、Inagaki Kouji、Son Do Ngoc、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 124 Issue: 5 Pages: 2968-2977
- DOI
  10.1021/acs.jpcc.9b08569
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451, KAKENHI-PROJECT-18H01829
[Journal Article] Atomic and molecular adsorption on single platinum atom at the graphene edge: A density functional theory study2020
- Author(s)
  Wella Sasfan Arman、Hamamoto Yuji、Iskandar Ferry、Suprijadi、Morikawa Yoshitada、Hamada Ikutaro
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 152 Issue: 10 Pages: 104707-104707
- DOI
  10.1063/5.0002902
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05519, KAKENHI-WRAPUP-19H05451
[Journal Article] Geometric and electronic structure correlation at a metal-organic interface2020
- Author(s)
  H. Koshida, Y. Takahashi, H. Okuyama, S. Hatta, T. Aruga, Y. Hamamoto, I. Hamada, Y. Morikawa
- Journal Title
  
  J. Phys. Chem. C.
  
  Volume: 124 Issue: 32 Pages: 17696-17701
- DOI
  10.1021/acs.jpcc.0c04678
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-19H01825, KAKENHI-PROJECT-19J15306, KAKENHI-PROJECT-18K05030
[Journal Article] Van der Waals Density Functional Study of Formic Acid Adsorption and Decomposition on Cu(111)2019
- Author(s)
  Septia Eka Marsha Putra, Fahdzi Muttaqien, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, and Yoshitada Morikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 150 Issue: 15 Pages: 154707-154707
- DOI
  10.1063/1.5087420
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-18H05519, KAKENHI-WRAPUP-19H05451
[Journal Article] Analyses of three-dimensional atomic arrangements of impurities doped in Si relating to electrical activity by spectro-photoelectron holography2019
- Author(s)
  TSUTSUI Kazuo、MORIKAWA Yoshitada
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 010503-1-8 Issue: 1 Pages: 010503-010503
- DOI
  10.7567/1347-4065/ab603e
- NAID
  210000157782
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-WRAPUP-19H05451
[Journal Article] Vibration-driven reaction of CO2 on Cu surfaces via Eley?Rideal-type mechanism2019
- Author(s)
  Quan Jiamei、Muttaqien Fahdzi、Kondo Takahiro、Kozarashi Taijun、Mogi Tomoyasu、Imabayashi Takumi、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada、Nakamura Junji
- Journal Title
  
  Nature Chemistry
  
  Volume: 11 Issue: 8 Pages: 722-729
- DOI
  10.1038/s41557-019-0282-1
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-18H05519, KAKENHI-WRAPUP-19H05451, KAKENHI-PROJECT-18H01829
[Journal Article] Experimental and Computational Studies on Ruthenium(II) Bis-diimine Complexes of N,N'-Chelate Ligand: The Origin of the Change in the Absorption Spectra upon Oxidation and Reduction2019
- Author(s)
  Siew San Tan, Susumu Yanagisawa, Kouji Inagaki, Mohammad B. Kassim and Yoshitada Morikawa
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 21 Issue: 15 Pages: 7973-7988
- DOI
  10.1039/c8cp05016c
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010, KAKENHI-WRAPUP-19H05451
[Journal Article] Platinum single-atom adsorption on graphene: a density functional theory study2019
- Author(s)
  Wella Sasfan Arman、Hamamoto Yuji、Suprijadi Suprijadi、Morikawa Yoshitada、Hamada Ikutaro
- Journal Title
  
  Nanoscale Advances
  
  Volume: 1 Issue: 3 Pages: 1165-1174
- DOI
  10.1039/c8na00236c
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-WRAPUP-19H05451
[Journal Article] Development of Co Supported on Co-Al Spinel Catalysts from Exsolution of Amorphous Co-Al Oxides for Carbon Dioxide Reforming of Methane2019
- Author(s)
  Wong Yee Jie、Koh Mei Kee、Khairudin Nor Fazila、Ichikawa Satoshi、Morikawa Yoshitada、Mohamed Abdul Rahman
- Journal Title
  
  ChemCatChem
  
  Volume: 11 Issue: 22 Pages: 5593-5605
- DOI
  10.1002/cctc.201901098
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Journal Article] First-principles theoretical study on carrier doping effects induced by Zn vacancies in Mn-doped in ZnSnAs22019
- Author(s)
  Kizaki Hidetoshi、Morikawa Yoshitada
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 58 Issue: 11 Pages: 110601-110601
- DOI
  10.7567/1347-4065/ab4a97
- NAID
  210000157265
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-WRAPUP-19H05451
[Journal Article] Structural and dynamic properties of 1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide/mica and graphite interfaces revealed by molecular dynamics simulation2018
- Author(s)
  Yokota Yasuyuki、Miyamoto Hiroo、Imanishi Akihito、Inagaki Kouji、Morikawa Yoshitada、Fukui Ken-ichi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 9 Pages: 6668-6676
- DOI
  10.1039/c7cp07313e
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K13932, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-16H04096, KAKENHI-PROJECT-26410092, KAKENHI-PROJECT-18K19056, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-17H03041
[Journal Article] A New Pentacene Polymorph Induced by Interaction with a Substrate2018
- Author(s)
  T.Shirasawa, S.Yanagisawa, S.Hatada, W.Voegeli, Y.Morikawa, and T.Takahashi
- Journal Title
  
  J.Phys.Chem.C
  
  Volume: 122 Issue: 11 Pages: 6240-6245
- DOI
  10.1021/acs.jpcc.8b00892
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105008, KAKENHI-PROJECT-16H03866, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Microscopic properties of ionic liquid/organic semiconductor interfaces revealed by molecular dynamics simulations2018
- Author(s)
  Yokota Yasuyuki、Miyamoto Hiroo、Imanishi Akihito、Takeya Jun、Inagaki Kouji、Morikawa Yoshitada、Fukui Ken-ichi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 18 Pages: 13075-13083
- DOI
  10.1039/c8cp01043a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26410092, KAKENHI-PROJECT-18K19056, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-16H04096, KAKENHI-PROJECT-16K13932, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-17H03041
[Journal Article] First-principles Study of ZnSnAs2-Based Dilute Magnetic Semiconductors2018
- Author(s)
  H. Kizaki and Y. Morikawa
- Journal Title
  
  Jpn. J. Appl. Phys
  
  Volume: 57
- NAID
  210000148582
- Peer Reviewed
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Effects of Surface Termination and Layer Thickness on Electronic Structures of LaNiO3 Thin Films2018
- Author(s)
  Nguyen Huy Duy、Cong Bach Thanh、Morikawa Yoshitada
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 87 Issue: 11 Pages: 114704-114704
- DOI
  10.7566/jpsj.87.114704
- NAID
  210000135013
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Platinum-catalyzed hydrolysis etching of SiC in water: A density functional theory study2018
- Author(s)
  Pho Van Bui, Daisetsu Toh, Ai Isohashi, Satoshi Matsuyama, Kouji Inagaki, Yasuhisa Sano, Kazuto Yamauchi and Yoshitada Morikawa
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 57 Issue: 5 Pages: 055703-055703
- DOI
  10.7567/jjap.57.055703
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16J06391, KAKENHI-PROJECT-15K06505, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Hydrogen Bond-Induced Nitric Oxide Dissociation on Cu(110)2018
- Author(s)
  Pham Thanh Ngoc、Sugiyama Masahiro、Muttaqien Fahdzi、Putra Septia Eka Marsha、Inagaki Kouji、Son Do Ngoc、Hamamoto Yuji、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 122 Issue: 22 Pages: 11814-11824
- DOI
  10.1021/acs.jpcc.8b01208
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-PROJECT-18H01829, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Mechanistic Analysis of Oxygen Vacancy Formation and Ionic Transport in Sr3Fe2O7-δ2018
- Author(s)
  Ota Tadashi、Kizaki Hidetoshi、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 122 Issue: 8 Pages: 4172-4181
- DOI
  10.1021/acs.jpcc.7b11904
- Peer Reviewed
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] First-principles Study of ZnSnAs2-Based Dilute Magnetic Semiconductors2018
- Author(s)
  Hidetoshi Kizaki, and Yoshitada Morikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 57 Issue: 2 Pages: 020306-020306
- DOI
  10.7567/jjap.57.020306
- NAID
  210000148582
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-26105010
[Journal Article] Potential dependent changes of structural and dynamical properties of 1-butyl-3- methylimidazolium bis (trifluoromethanesulfonyl)imide on graphite electrode revealed by molecular dynamics simulation2018
- Author(s)
  H. Miyamoto, Y. Yokota, A. Imanishi, K. Inagaki, Y. Morikawa, K. Fukui
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 20 Issue: 29 Pages: 19408-19415
- DOI
  10.1039/c8cp02733a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K19056, KAKENHI-PLANNED-18H05515, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-16H04096, KAKENHI-PROJECT-16K13932, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-17H03041
[Journal Article] Computational Study on Atomic Structures, Electronic Properties, and Chemical Reactions at Surfaces and Interfaces and in Biomaterials2018
- Author(s)
  Takano Yu、Kobayashi Nobuhiko、Morikawa Yoshitada
- Journal Title
  
  Journal of the Physical Society of Japan
  
  Volume: 87 Issue: 6 Pages: 061013-061013
- DOI
  10.7566/jpsj.87.061013
- NAID
  210000134839
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105012, KAKENHI-PROJECT-17H02780, KAKENHI-PROJECT-16K07325, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] First-principles study of polar, nonpolar, and semipolar GaN surfaces during oxide vapor phase epitaxy growth2018
- Author(s)
  Kawamura Takahiro、Kitamoto Akira、Imade Mamoru、Yoshimura Masashi、Mori Yusuke、Morikawa Yoshitada、Kangawa Yoshihiro、Kakimoto Koichi、Akiyama Toru
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 57 Issue: 11 Pages: 115504-115504
- DOI
  10.7567/jjap.57.115504
- NAID
  210000149765
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04957, KAKENHI-PLANNED-16H06418, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] First-principles Study of ZnSnAs2-Based Dilute Magnetic Semiconductors2018
- Author(s)
  H. Kizaki and Y. Morikawa
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 57
- NAID
  210000148582
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Enhancement of CO2 adsorption on oxygen-functionalized epitaxial graphene surface under near-ambient conditions2018
- Author(s)
  Yamamoto Susumu、Takeuchi Kaori、Hamamoto Yuji、Liu Ro-Ya、Shiozawa Yuichiro、Koitaya Takanori、Someya Takashi、Tashima Keiichiro、Fukidome Hirokazu、Mukai Kozo、Yoshimoto Shinya、Suemitsu Maki、Morikawa Yoshitada、Yoshinobu Jun、Matsuda Iwao
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 29 Pages: 19532-19538
- DOI
  10.1039/c8cp03251c
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-18K19011, KAKENHI-PUBLICLY-17H05212, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-18H01829, KAKENHI-PROJECT-16H06027, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Diffusion mechanism of Na ion-olaron complex in potential cathode materials NaVOPO4 and VOPO4 for rechargeable sodium-ion batteries2018
- Author(s)
  Luong Huu Duc、Pham Thi Dung、Morikawa Yoshitada、Shibutani Yoji、Dinh Van An
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 20 Issue: 36 Pages: 23625-23634
- DOI
  10.1039/c8cp03391a
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] The adsorption of CO2 on graphene: A combined TPD, XPS, vdW-DF study2017
- Author(s)
  K. Takeuchi, S. Yamamoto, Y. Hamamoto, Y. Shiozawa, K. Tashima, H. Fukidome, T. Koitaya, K. Mukai, S. Yoshimoto, M. Suemitsu, Y. Morikawa, J. Yoshinobu, and I. Matsuda
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 121 Issue: 5 Pages: 2807-2814
- DOI
  10.1021/acs.jpcc.6b11373
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-15K17682
[Journal Article] Chemical etching of silicon carbide in pure water by using platinum catalyst2017
- Author(s)
  Ai Isohashi, P. V. Bui, D. Toh, S. Matsuyama, Y. Sano, K. Inagaki, Y. Morikawa, and K. Yamauchi
- Journal Title
  
  Applied Physics Letters
  
  Volume: 110 Issue: 20 Pages: 201601-201601
- DOI
  10.1063/1.4983206
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16J06391, KAKENHI-PLANNED-26105010
[Journal Article] Image potential states from the van der Waals density functional2017
- Author(s)
  Hamada Ikutaro、Hamamoto Yuji、Morikawa Yoshitada
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 147 Issue: 4 Pages: 044708-044708
- DOI
  10.1063/1.4995441
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PLANNED-25110006, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PROJECT-15K17682, KAKENHI-PLANNED-26105010
[Journal Article] 密度汎関数理論を用いた触媒反応の研究 ―van der Waals密度汎関数を中心に―2017
- Author(s)
  濱本雄治、稲垣耕司、木﨑栄年、森川良忠、濱田幾太郎
- Journal Title
  
  固体物理＜第一原理からの物性シミュレーション＞特集号
  
  Volume: 52
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25110006
[Journal Article] Individual Atomic Imaging of Multiple Dopant Sites in As-Doped Si Using Spectro-Photoelectron Holography2017
- Author(s)
  Tsutsui Kazuo、Matsushita Tomohiro、Natori Kotaro、Muro Takayuki、Morikawa Yoshitada、Hoshii Takuya、Kakushima Kuniyuki、Wakabayashi Hitoshi、Hayashi Kouichi、Matsui Fumihiko、Kinoshita Toyohiko
- Journal Title
  
  Nano Letters
  
  Volume: 17 Issue: 12 Pages: 7533-7538
- DOI
  10.1021/acs.nanolett.7b03467
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105007, KAKENHI-PLANNED-26105013, KAKENHI-PLANNED-26105014, KAKENHI-PROJECT-15KK0167, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-17H02911
[Journal Article] Electronic states and growth modes of Zn atoms deposited on Cu(111) studied by XPS, UPS and DFT2017
- Author(s)
  Koitaya Takanori、Shiozawa Yuichiro、Yoshikura Yuki、Mukai Kozo、Yoshimoto Shinya、Torii Siro、Muttaqien Fahdzi、Hamamoto Yuji、Inagaki Kouji、Morikawa Yoshitada、Yoshinobu Jun
- Journal Title
  
  Surf. Sci
  
  Volume: 663 Pages: 1-10
- DOI
  10.1016/j.susc.2017.03.015
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] Desorption dynamics of CO2 from formate decomposition on Cu(111)2017
- Author(s)
  Muttaqien Fahdzi、Oshima Hiroyuki、Hamamoto Yuji、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada
- Journal Title
  
  Chemical Communications
  
  Volume: 53 Issue: 66 Pages: 9222-9225
- DOI
  10.1039/c7cc03707d
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105010
[Journal Article] Augmented pH-sensitivity absorbance of a ruthenium(ii) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation2017
- Author(s)
  San Tan Siew、Yanagisawa Susumu、Inagaki Kouji、Morikawa Yoshitada、Kassim Mohammad B.
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 19 Issue: 37 Pages: 25734-25745
- DOI
  10.1039/c7cp04268j
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105010
[Journal Article] First-principles study of the surface phase diagrams of GaN(0001) and (000-1) under the oxide vapor phase epitaxy growth conditions2017
- Author(s)
  T. Kawamura, A. Kitamoto, M. Imade, M. Yoshimura, Y. Mori, Y. Morikawa, Y. Kangawa, and K. Kakimoto
- Journal Title
  
  Physica Status Solidi B
  
  Volume: 印刷中 Issue: 8 Pages: 1600706-1600706
- DOI
  10.1002/pssb.201600706
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-16H06418, KAKENHI-PROJECT-15K13351, KAKENHI-PROJECT-15K17459, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki Miyaura Cross-Coupling in Water: Transmetalation and Reductive Elimination2017
- Author(s)
  Hirakawa Teruo、Uramoto Yuta、Yanagisawa Susumu、Ikeda Takashi、Inagaki Kouji、Morikawa Yoshitada
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 121 Issue: 36 Pages: 19904-19914
- DOI
  10.1021/acs.jpcc.7b06972
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105010
[Journal Article] First-Principles Molecular Dynamics Analysis of Ligand-Free Suzuki-Miyaura Cross Coupling in Water Solvent: Oxidative Addition Step2017
- Author(s)
  T. Hirakawa, Y. Uramoto, D. Mimura, A. Takeda, S. Yanagisawa, T. Ikeda, K. Inagaki, and Y. Morikawa
- Journal Title
  
  J. Phys. Chem. B,
  
  Volume: 121 Issue: 1 Pages: 164-173
- DOI
  10.1021/acs.jpcb.6b08644
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PROJECT-26410014, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PLANNED-26105010
[Journal Article] Computational investigations of electronic structure modifications of ferrocene-terminated self-assembled monolayers: effects of electron donating/withdrawing functional groups attached on the ferrocene moiety2017
- Author(s)
  Yokota Yasuyuki、Akiyama Sumito、Kaneda Yukio、Imanishi Akihito、Inagaki Kouji、Morikawa Yoshitada、Fukui Ken-ichi
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 19 Issue: 48 Pages: 32715-32722
- DOI
  10.1039/c7cp07279a
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-16K13932, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PROJECT-16H04096, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-17H03041
[Journal Article] CO2 adsorption on the copper surfaces: van der Waals density functional and TPD studies2017
- Author(s)
  Muttaqien Fahdzi、Hamamoto Yuji、Hamada Ikutaro、Inagaki Kouji、Shiozawa Yuichiro、Mukai Kozo、Koitaya Takanori、Yoshimoto Shinya、Yoshinobu Jun、Morikawa Yoshitada
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 147 Issue: 9 Pages: 094702-094702
- DOI
  10.1063/1.4994149
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PLANNED-26105010
[Journal Article] 密度汎関数理論を用いた触媒反応の研究―van der Waals密度汎関数を中心に―2017
- Author(s)
  濱本雄治、稲垣耕司、木﨑栄年、森川良忠、濱田幾太郎
- Journal Title
  
  固体物理
  
  Volume: 51 Pages: 53-61
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-26105010
[Journal Article] 密度汎関数理論を用いた触媒反応の研究―van der Waals密度汎関数を中心に―2017
- Author(s)
  濱本雄治、稲垣耕司、木﨑栄年、森川良忠、濱田幾太郎
- Journal Title
  
  固体物理
  
  Volume: 51 Pages: 53-61
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Hybrid image potential states in molecular overlayers on graphene2017
- Author(s)
  Wella Sasfan Arman、Sawada Hiroyuki、Kawaguchi Nana、Muttaqien Fahdzi、Inagaki Kouji、Hamada Ikutaro、Morikawa Yoshitada、Hamamoto Yuji
- Journal Title
  
  Physical Review Materials
  
  Volume: 1 Issue: 6 Pages: 06001-06001
- DOI
  10.1103/physrevmaterials.1.061001
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PLANNED-25110006, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105011, KAKENHI-PROJECT-15K17682, KAKENHI-PLANNED-26105010
[Journal Article] Density Functional Theory Investigations of Ferrocene-Terminated Self-Assembled Monolayers: Electronic State Changes Induced by Electric Dipole Field of Coadsorbed Species2016
- Author(s)
  Y. Yokota, S. Akiyama, Y. Kaneda, A. Imanishi, K. Inagaki, Y. Morikawa, and K. Fukui
- Journal Title
  
  J. Phys. Chem. C, in press.
  
  Volume: in press. Issue: 16 Pages: 8684-8692
- DOI
  10.1021/acs.jpcc.6b00812
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-25620015, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-16K13932, KAKENHI-INTERNATIONAL-15K21719, KAKENHI-PROJECT-16H04096
[Journal Article] Self-consistent van der Waals density functional study of benzene adsorption on Si(100)2016
- Author(s)
  Yuji Hamamoto, Ikutaro Hamada, Kouji Inagaki, and Yoshitada Morikawa
- Journal Title
  
  Physical Review B
  
  Volume: 93 Issue: 24 Pages: 245440-245440
- DOI
  10.1103/physrevb.93.245440
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PLANNED-25110006, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-15K17682, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Mechanism for enhanced single-crystal GaN growth in the C-assisted Na-flux method2016
- Author(s)
  T. Kawamura, H. Imabayashi, M. Maruyama, M. Imade, M. Yoshimura, Y. Mori, and Y. Morikawa
- Journal Title
  
  Applied Physics Express
  
  Volume: 9 Issue: 1 Pages: 015601-015601
- DOI
  10.7567/apex.9.015601
- NAID
  210000137759
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26410014, KAKENHI-PROJECT-15K17459, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] Photoelectron holographic atomic arrangement imaging of cleaved bimetal-intercalated graphite superconductor surface2016
- Author(s)
  F. Matsui, R. Eguchi, S. Nishiyama, M. Izumi, E. Uesugi, H. Goto, T. Matsushita, K. Sugita, H. Daimon, Y. Hamamoto, I. Hamada, Y. Morikawa, Y. Kubozono
- Journal Title
  
  Scientific Reports 6, 36258 (2016)
  
  Volume: 6 Issue: 1 Pages: 36258-36258
- DOI
  10.1038/srep36258
- NAID
  120005867254
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105004, KAKENHI-PLANNED-26105007, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105013, KAKENHI-PROJECT-14J00228, KAKENHI-PROJECT-25287075, KAKENHI-PROJECT-26400361, KAKENHI-PROJECT-15K17682, KAKENHI-PROJECT-15KK0167, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Photoelectron holographic atomic arrangement imaging of cleaved bimetal-intercalated graphite superconductor surface2016
- Author(s)
  F. Matsui, R. Eguchi, S. Nishiyama, M. Izumi, E. Uesugi, H. Goto, T. Matsushita, K. Sugita, H. Daimon, Y. Hamamoto, I. Hamada, Y. Morikawa, Y. Kubozono
- Journal Title
  
  Scientific Reports
  
  Volume: 6 Pages: 36528-36528
- NAID
  120005867254
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Ab-initio moleculer dynamics of solvation effects on reactiveity at electrified interfaces2016
- Author(s)
  J.A. Herron, *Y. Morikawa, and *M. Mavrikakis
- Journal Title
  
  Proc. Natl. Acad. Sci. U. S. A.,
  
  Volume: 113 Issue: 34
- DOI
  10.1073/pnas.1604590113
- Peer Reviewed / Acknowledgement Compliant / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-26410014, KAKENHI-INTERNATIONAL-15K21719
[Journal Article] Theoretical study on electronic structure of bathocuproine: Renormalization of the band gap in the crystalline state and the large exciton binding energy2016
- Author(s)
  S. Yanagisawa, S. Hatada and Y. Morikawa
- Journal Title
  
  Journal of the Chinese Chemical Society
  
  Volume: 63 Issue: 6 Pages: 1-8
- DOI
  10.1002/jccs.201500379
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-26810009, KAKENHI-PLANNED-26105010, KAKENHI-PLANNED-26105011, KAKENHI-PROJECT-24221009
[Journal Article] Electronic structure of the 4 x 4 silicene monolayer on semi-infinite Ag(111)2015
- Author(s)
  H. Ishida, Y. Hamamoto, Y. Morikawa, E. Minamitani, R. Arafune, and N. Takagi
- Journal Title
  
  New Journal of Physics
  
  Volume: 17
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] First-principles investigation of the GaN growth process in carbon-added Na-flux method2015
- Author(s)
  T. Kawamura, H. Imabayashi, M. Maruyama, M. Imade, M. Yoshimura, Y. Mori, and Y. Morikawa
- Journal Title
  
  Physica Status Solidi B
  
  Volume: 252 Issue: 5 Pages: 1084-1088
- DOI
  10.1002/pssb.201451546
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26410014, KAKENHI-ORGANIZER-26105001
[Journal Article] Electronic structure of the 4x4 silicene monolayer on semi-infinite Ag(111)2015
- Author(s)
  H. Ishida, Y. Hamamoto, Y. Morikawa, E. Minamitani, R. Arafune, N. Takagi
- Journal Title
  
  New Journal of Physics
  
  Volume: 17 Issue: 1 Pages: 015013-015013
- DOI
  10.1088/1367-2630/17/1/015013
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24241040, KAKENHI-PROJECT-24540328, KAKENHI-PLANNED-25110006, KAKENHI-PLANNED-25110008, KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-26410014
[Journal Article] Study on the mechanism of platinum-assisted hydrofluoric acid etching of SiC using density functional theory calculations2015
- Author(s)
  .V. Bui, A. Isohashi, H. Kizaki, Y. Sano, K. Yamauchi, Y. Morikawa, and K. Inagaki
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 107 Issue: 20
- DOI
  10.1063/1.4935832
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15K06505, KAKENHI-PROJECT-26410014, KAKENHI-ORGANIZER-26105001, KAKENHI-PLANNED-26105010
[Journal Article] Raman spectra measurements on DEPC liposome and cell membrane of living neuron under xenon pressure2015
- Author(s)
  T. Uchida, M. Nagayama, K. Yamazaki, K. Gohara, A. K. Sum
- Journal Title
  
  Can. J. Chem.
  
  Volume: 93 Issue: 8 Pages: 831-838
- DOI
  10.1139/cjc-2014-0542
- NAID
  120005651859
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces2014
- Author(s)
  F. Muttaqien, Y. Hamamoto, K. Inagaki, and Y. Morikawa
- Journal Title
  
  The Journal of Chemical Physics
  
  Volume: 141 Issue: 3
- DOI
  10.1063/1.4887362
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-26105010, KAKENHI-PROJECT-26410014
[Journal Article] Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces2014
- Author(s)
  F. Muttaqien, Y. Hamamoto, K. Inagaki, and Y. Morikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 141
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-26105001
[Journal Article] Theoretical investigation of the band structure of picene single crystals within the GW approximation2014
- Author(s)
  S. Yanagisawa, Y. Morikawa, and A. Schindlmayr
- Journal Title
  
  Japanese Journal of Applied Physics
  
  Volume: 53 Issue: 5S1 Pages: 05FY02-05FY02
- DOI
  10.7567/jjap.53.05fy02
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26410014, KAKENHI-PROJECT-26810009
[Journal Article] HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections within the GW approximation2013
- Author(s)
  S. Yanagisawa, Y. Morikawa, and A. Schindlmayr
- Journal Title
  
  Phys. Rev. B
  
  Volume: 88 Issue: 11
- DOI
  10.1103/physrevb.88.115438
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24221009
[Journal Article] First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces2013
- Author(s)
  M. Oue K. Inagaki K. Yamauchi Y. Morikawa
- Journal Title
  
  Nanoscale Research Letters
  
  Volume: 8 Pages: 232-232
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22560110
[Journal Article] Intermolecular Interaction as the Origin of Red Shifts in Absorption Spectra of Zinc-Phthalocyanine from First-Principles2013
- Author(s)
  S. Yanagisawa, T. Yasuda, K. Inagaki, Y. Morikawa, K. Manseki, and S. Yanagida
- Journal Title
  
  Intermolecular Interaction as the Origin of Red Shifts in Absorption Spectra of Zinc-Phthalocyanine from First-Principles
  
  Volume: 117 Issue: 44 Pages: 11246-11253
- DOI
  10.1021/jp407608w
- Peer Reviewed / Acknowledgement Compliant / Open Access
- Data Source
  KAKENHI-PROJECT-24221009
[Journal Article] First-Principles Study of Reaction Process of SiC and HF Molecules in Catalyst-Referred Etching2012
- Author(s)
  P.V. Bui, K. Inagaki, Y. Sano, K. Yamauchi, Y. Morikawa
- Journal Title
  
  Engineering Materials
  
  Volume: 523-524 Pages: 173-177
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22560110
[Journal Article] First-principles Analysis of Dissociative Absorption of HF Molecule at SiC Surface Step Edge2012
- Author(s)
  K. Inagaki, B. V. Pho, K. Yamauchi and Y. Morikawa
- Journal Title
  
  Materials Science Forum
  
  Volume: 717-720 Pages: 581-584
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22560110
[Journal Article] Density-functional theoretical study of fluorination effect on organic/metal interfaces2011
- Author(s)
  K.Toyoda, I.Hamada, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Organic Electronics
  
  Volume: 12 Pages: 295-299
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Density Functional Theoretical Study of Perfluoropentacene/Noble Metal Interfaces with van der Waals Corrections : Adsorption States and Vacuum Level Shifts2011
- Author(s)
  K.Toyoda, I.Hamada, K.-H.Lee, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J.Phys.Chem.C
  
  Volume: 115 Issue: 13 Pages: 5767-5772
- DOI
  10.1021/jp1107262
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Adsorption of Alq3 on Mg(001) surface : Role of chemical bonding, molecular distortion, and van derWaals interaction2011
- Author(s)
  S.Yanagisawa, I.Hamada, K.H.Lee, D.C.Langreth, Y.Morikawa
- Journal Title
  
  Phys.Rev.B
  
  Volume: 83 Issue: 23
- DOI
  10.1103/physrevb.83.235412
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Adsorption of Benzene on Noble Metal Surfaces Studied by Density Functional Theory with van der Waals Correction2011
- Author(s)
  K.Toyoda, I.Hamada, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J.Nanoscience and Nanotech.
  
  Volume: 11 Issue: 4 Pages: 2836-2843
- DOI
  10.1166/jnn.2011.3909
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Interaction of water with a metal surface : Importance of van der Waals forces2010
- Author(s)
  I.Hamada, K.Lee, Y.Morikawa
- Journal Title
  
  Physical Review B 81
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Density Functional analysis of hydrogen on Pt(111): electric field, solvent, and coverage effects2010
- Author(s)
  I. Hamada, Y. Morikawa
- Journal Title
  
  Journal of Physical Chemistry C Vol.112
  
  Pages: 10889-10838
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Origin of Surface-Band Dispersion at the Pentacene/Cu Interface2010
- Author(s)
  K. Toyoda, I. Hamada, S. Yanagisawa, Y. Morikawa
- Journal Title
  
  Appl. Phys. Express 3
- NAID
  10027013694
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Density Functional Theoretical Study of Pentacene/Noble Metal Interfaces with van der Waals Corrections: Vacuum Level Shifts and Electronic Structures2010
- Author(s)
  K. Toyoda, I. Hamada, K.-H. Lee, S. Yanagisawa, and Y. Morikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 132 Pages: 115452-115452
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Density Functional Theoretical Study of Pentacene/Noble Metal Interfaces with van der Waals Corrections: Vacuum Level Shifts and Electronic Structures2010
- Author(s)
  K. Toyoda, I. Hamada, K.H. Lee, S. Yanagisawa, Y. Morikawa
- Journal Title
  
  J. Chem. Phys 132
  
  Pages: 134703-134703
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Interaction of water with a metal surface: Importance of van der Waals forces2010
- Author(s)
  I. Hamada, K. Lee,, Y. Morikawa
- Journal Title
  
  Physical Review B Vol.81
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Origin of Surface-Band Dispersion at the Pentacene/Cu Interface2010
- Author(s)
  K.Toyoda, I.Hamada, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Appl.Phys.Express 3
- NAID
  10027013694
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Origin of Surface-Band Dispersion at the Pentacene/Cu Interface2010
- Author(s)
  K. Toyoda, I. Hamada, S. Yanagisawa, Y. Morikawa
- Journal Title
  
  Appl. Phys. Express 3
- NAID
  10027013694
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Density Functional Theoretical Study of Pentacene/Noble Metal Interfaces with van der Waals Corrections : Vacuum Level Shifts and Electronic Structures2010
- Author(s)
  K.Toyoda, Y.Nakano, I.Hamada, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J.Chem.Phys. (印刷中)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Density Functional Theoretical Study of Pentacene/Noble Metal Interfaces with van der Waals Corrections : Vacuum Level Shifts and Electronic Structures2010
- Author(s)
  K.Toyoda, I.Hamada, K.-H.Lee, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J.Chem.Phys.
  
  Volume: 132
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Symmetric hydrogen bond in a water-hydroxyl complex on Cu(110)2010
- Author(s)
  T.Kumagai, M.Kaizu, H.Okuyama, S.Hatta, T.Aruga, I.Hamada, Y.Morikawa
- Journal Title
  
  Physical Review B 81
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] First- Principles Study of the Pentacene/Cu(111) Interface : Adsorption States and Vacuum Level Shifts2009
- Author(s)
  K.Toyoda, Y.Nakano, I.Hamada, K.H.Lee, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J.Electron Spectroscopy and Related Phenomena 174
  
  Pages: 78-84
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Theoretical investigation of the electronic structure of the Alq_3/Mg interface2009
- Author(s)
  S. Yanagisawa and Y. Morikawa
- Journal Title
  
  J. Phys. : Condens. Matter 21
  
  Pages: 64247-64247
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] 第一原理シミュレーションから見た電極界面の電化移動反応-燃料電池・水電解の水素極を対象として-2009
- Author(s)
  池庄司民夫, 杉野修, 森川良忠, 大谷実, 濱田幾太郎, 岡本穏治
- Journal Title
  
  電気化学 77
  
  Pages: 241-247
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Theoretical Study of Benzene on Noble Metal Surfaces : Adsorption States and Vacuum Level Shifts2009
- Author(s)
  K.Toyoda, Y.Nakano, I.Hamada, K.H.Lee, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Surf.Sci. 603
  
  Pages: 2912-2922
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Tunnel ing dynamics of a hydroxyl group adsorbed on Cu(110)2009
- Author(s)
  T. Kumagai, M. Kaizu, H. Okuyania, S. Hatta, T. Aruga, I. Hamada, and Y. Morikawa
- Journal Title
  
  Phys. Rev. B. 79
  
  Pages: 35423-35423
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Theoretical investigation of the electronic structure of the Alq3/Mg interface2009
- Author(s)
  S. Yanagisawa and Y. Morikawa
- Journal Title
  
  J. Phys. : Condens. Matter 21
  
  Pages: 64247-64247
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Tunneling dynamics of hydroxyl group adsorbed on Cu(110)2009
- Author(s)
  T.Kumagai, M.Kaizu, H.Okuyama, S.Hatta, T.Aruga, I.Hamada, Y.Morikawa
- Journal Title
  
  Physical Review B 79
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Electrode dynamics from first principles2008
- Author(s)
  M.Otani, I.Hamada, O.Sugino, Y.Morikawa, 他2名
- Journal Title
  
  Journal of Physical Society of Japan 77
- NAID
  110006613909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Theoretical study of vacuum leveol shift at the C6H6/Al (111) interface2008
- Author(s)
  Y., Nakano・S., Yanagisawa・I., Hamada・Y., Morikawa
- Journal Title
  
  Surface and Interface Analysis (in press)
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Electrode Dynamics from First Principles2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, and T. Ikeshoji
- Journal Title
  
  J. Phys. Soc. Jpn. 77
  
  Pages: 24802-24802
- NAID
  110006613909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Structure of the water-platinum interface-a first principles simulation under bias potential2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y Morikawa, Y. Okamoto, and T. Ikeshoji
- Journal Title
  
  Phys Chem. Chem. Phys 10
  
  Pages: 3609-3612
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Electric field effect on the adsorption state of methylthiolate on Au(111)2008
- Author(s)
  A. Nagoya, I. Hamada, and Y. Morikawa
- Journal Title
  
  e-J. Surf. Sci. and Nanotechnology 6
  
  Pages: 99-102
- NAID
  130004439087
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Electric field effect on the adsorption state of methylthiolate on Au(111)2008
- Author(s)
  A. Nagoya, I. Hamada, and Y. Morikawa
- Journal Title
  
  e-J. Surf. Sci. and Nanotechnology 6
  
  Pages: 99-102
- NAID
  130004439087
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] First-principles theoretical study of Alq_3/Al interfaces : Origin of the interfacial dipole2008
- Author(s)
  S. Yanagisawa, K.H. Lee, and Y. Morikawa
- Journal Title
  
  J. Chem. Phys 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles theoretical study of Alq3/Al interfaces: Origin of the interfacial dipole, S. Yanagisawa2008
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Journal Title
  
  J. Chem. Phys. 128
  
  Pages: 244704-244704
- Data Source
  KAKENHI-PROJECT-17064005
[Journal Article] Structure of the water platinum interface-a first principles simulation under bias potential-2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Journal Title
  
  Physical Chemistry Chemical Physics Vol.10
  
  Pages: 3609-3612
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] First-principles theoretical study of Alq3/Al interfaces: Origin of the interfacial dipole2008
- Author(s)
  S. Yanagisawa, K.H. Lee, and Y. Morikawa
- Journal Title
  
  J. Chem. Phys. 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Theoretical study of vacuum level shift at the C_6H_6/Al(111)interface2008
- Author(s)
  Y. Nakano, S. Yanagisawa, I. Hamada. and Y. Morikawa
- Journal Title
  
  Surface and Interface Analysis 40
  
  Pages: 1059-1062
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-19054013
[Journal Article] Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at the STM junction2008
- Author(s)
  M. Ohara, Y. Kim, S. Yanagisawa, Y. Morikawa, and M. Kawai
- Journal Title
  
  Phys. Rev. Lett 100
  
  Pages: 136104-136104
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Theoretical study of vacuum level shift at the C6H6/A1(111) interface2008
- Author(s)
  Y. Nakano, S. Yanagisawa, I. Hamada, and Y. Morikawa
- Journal Title
  
  Surf. Interface Anal. 40
  
  Pages: 1059-1062
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Electrode dynamics from first principles2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Journal Title
  
  Journal of Physical Society of Japan Vol.77
- NAID
  110006613909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Electrode Dynamics from First Principles2008
- Author(s)
  M., Otani・I., Hamada・O., Sugino・Y., Morikawa・Y., Okamoto・T., Ikeshoji
- Journal Title
  
  J.Phys.Soc.Jpn. 77
  
  Pages: 24802-24802
- NAID
  110006613909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Theoretical study of vacuum level shift at the C_6H_6/Al(111)interface2008
- Author(s)
  Y. Nakano, S. Yanagisawa, and Y. Morikawa
- Journal Title
  
  Surf Interface Anal 40
  
  Pages: 1059-1062
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Electrode Dynamics from First Principles2008
- Author(s)
  M. Otani, I. Hamada O. Sugino, Y. Morikawa. Y. Okamoto. T. Ikeshoji
- Journal Title
  
  J. Phys. Soc. Jpn 77
- NAID
  110006613909
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] The local electronic properties and formation process of titanium silicide nanostructures on Si(001)-(2x1)2008
- Author(s)
  M. Tonomaru, T. Iida, K. Sato, S. Ohno, K. Shudo, Y. Morikawa, and M. Tanaka
- Journal Title
  
  J. Phys. : Condens Matter 20
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Water Monomer and Dimer on Cu(110)Studied Using a Scanning Tunneling Microscope2008
- Author(s)
  T. Kumagai, M. Kaizu, H. Okuyama, S. Hatta, T. Aruga, I. Hamada, and Y Morikawa
- Journal Title
  
  e-J Surf Sci. Nanotech 6
  
  Pages: 296-300
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at the STM junction2008
- Author(s)
  M. Ohara, Y. Kim, S. Yanagisawa, Y. Morikawa, and M. Kawai
- Journal Title
  
  Phys. Rev. Lett. 100
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Density-functional analysis of hydrogen on Pt(111): electric field, solvent and coverage effects(Correction and Addition)2008
- Author(s)
  Hamada and Y. Morikawa
- Journal Title
  
  J. Phys. Chem. C 112
  
  Pages: 17486-17486
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Direa Observation of Hydrogen-Bond Exchange within a Single Water Dimer2008
- Author(s)
  T. Kumagai, M. Kaizu, S. Hatta, H. Okuyama, T. Aruga, I. Hamada, and Y. Morikawa
- Journal Title
  
  Phys. Rev. Lett 100
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Electric field effect on the adsorption state of methylthiolate on Au (111)2008
- Author(s)
  A. Nagoya, I. Hamada, and Y. Morikawa
- Journal Title
  
  e-J. Surf. Sci. and Nanotechnology 6
  
  Pages: 99-102
- NAID
  130004439087
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] First-principles theoretical study of A1q3/A1 interfaces : Origin of the interfacial dipole2008
- Author(s)
  S. Yanagisawa, K.H. Lee, and Y. Morikawa
- Journal Title
  
  J. Chem. Phys. 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Role of molecular orbitals near the Fermi level in the excitation of vibrational modes of a single molecule at the STM junction2008
- Author(s)
  M. Ohara, Y. Kim, S. Yanagisawa, Y. Morikawa_ and M. Kawai
- Journal Title
  
  Phys. Rev. Lett 100
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Structure of the water-platinum interface-a first principles simulation under bias potential2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Journal Title
  
  Physical Chemistry Chemical Physics 10
  
  Pages: 3609-3612
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] Density-functional analysis of hydrogen on Pt(111): electric field, solvent and coverage effects2008
- Author(s)
  I. Hamada and Y. Morikawa
- Journal Title
  
  J. Phys. Chem. C 112
  
  Pages: 17486-17486
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles Theoretical Study of Alq3/Al Interfaces: Origin of the Interfacial dipole2008
- Author(s)
  S. Yanagisawa, K.H. Lee, Y. Morikawa
- Journal Title
  
  J. Chem. Phys 128
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Theoretical study of vacuum level shift at the C_6H_6/Al(111) interface2008
- Author(s)
  Y., Nakano・S., Yanagisawa・I., Hamada・Y., Morikawa
- Journal Title
  
  Surface and Interface Analysis (in press).
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles molecular dynamics study of Al/Alq_3 interfaces2007
- Author(s)
  K., Takeuchi・S., Yanagisawa・Y., Morikawa
- Journal Title
  
  Sci.Tech.Adv.Mater 8
  
  Pages: 191-195
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Adsorption State of Methylthiolate on the Au(111) Surface2007
- Author(s)
  A. Nagoya, Y. Morikawa
- Journal Title
  
  J. Phys. Condensed Matter 19
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] A first-principles study on nitrogen solubility in Na flux toward theoretical search for a novel flux for bulk GaN growth2007
- Author(s)
  M., Kawahara・F., Kawamura・M., Yoshimura・Y., Mori・T., Sasaki・S., Yanagisawa・Y., Morikawa
- Journal Title
  
  J.Crystal Growth 303
  
  Pages: 34-36
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] A New Aspect of Heterogeneous Catalysis: Highly Reactive cis-(NO)_2 Dimer and Eley-Rideal Mechanism for NO-CO Reaction on a Co-Dimer/γ-Alumina Catalyst2007
- Author(s)
  T., Taniike・M., Tada・R., Coquet・Y., Morikawa・T., Sasaki・Y., Iwasawa
- Journal Title
  
  Chem.Phys.Lett. 443
  
  Pages: 66-70
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Origon of strange vibrational spectra of NO on Pt(111) surface2007
- Author(s)
  H. Aizawa, Y. Morikawa, S. Tsuneyuki, K. Fukutani, T. Ohno
- Journal Title
  
  e-J. Surf. Sci. Nanotech. 5
  
  Pages: 122-122
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] First-principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface2007
- Author(s)
  O., Sugino・I., Hamada・M., Otani・Y., Morikawa・T., Ikeshoji・Y., Okamoto
- Journal Title
  
  Surf.Sci. 601
  
  Pages: 5237-5240
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals2007
- Author(s)
  K.H.Lee, J.J.Yu, Y.Morikawa
- Journal Title
  
  Phys. Rev. B 75
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals2007
- Author(s)
  K.H., Lee・J.J., Yu・Y., Morikawa
- Journal Title
  
  Phys.Rev.B 75
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Comparison of Localized Basis and Plane-wave Basis for Density-functionalcalculations of Organic Molecules on Metals2007
- Author(s)
  K.H. Lee, J.J. Yu, Y. Morikawa
- Journal Title
  
  Phys. Rev. B 75
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Local Electronic Properties Induced at the Molecule-Metal Interface2007
- Author(s)
  S., Masuda・Y., Koide・M., Aoki・Y., Morikawa
- Journal Title
  
  J.Phys.Chem.C 111
  
  Pages: 11747-11750
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles molecular dynamics simulation of biasedelectrode/solution interface2007
- Author(s)
  O.Sugino, L.Hamada, M.Otani, Y.Morikawa, 他2名
- Journal Title
  
  Surface Science 601
  
  Pages: 5237-5240
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-19340077
[Journal Article] A First-principles Investigation on the Mechanism of Nitrogen Dissolution in the Na Flux Method2007
- Author(s)
  M., Kawahara・F., Kawamura・M., Yoshimura・Y., Mori・T., Sasaki・S., Yanagisawa・Y., Morikawa
- Journal Title
  
  J.Appl.Phys. 101
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals2007
- Author(s)
  K.H.Lee, J.J.Yu, Y.Morikawa
- Journal Title
  
  Phys. Rev. B 75
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] First-principles molecular dynamics study of Al/Alq3 interfaces2007
- Author(s)
  K. Takeuchi, S. Yanagisawa, and Y. Morikawa
- Journal Title
  
  Sci. Tech. Adv. Mate 8
  
  Pages: 191-195
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Ti0_2 (110)表面の化学反応の理論的なアプローチ2007
- Author(s)
  森川良忠
- Journal Title
  
  表面科学 28
  
  Pages: 556-560
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Adsorption state of methylthiolate on the Au(111) surface2007
- Author(s)
  A., Nagoya・Y., Morikawa
- Journal Title
  
  J.Phys.Condensed Matter 19
  
  Pages: 365245-365245
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Origin of strange vibrational spectra of NO on Pt(111) surface2007
- Author(s)
  H., Aizawa・Y., Morikawa・S., Tsuneyuki・K., Fukutani・T., Ohno
- Journal Title
  
  e-J.Surf.Sci.and Nanotech. 5
  
  Pages: 122-125
- NAID
  130004933965
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Local Electronic Properties Induced at the Molecule-Metal Interface2007
- Author(s)
  S. Masuda, Y. Koide, M. Aoki, and Y. Morikawa
- Journal Title
  
  J. Phys. Chem. C 111
  
  Pages: 11747-11750
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Comparison of localized basis and plane-wave basis for density-functional calculations of organic molecules on metals2007
- Author(s)
  K. H. Lee, J.J. Yu, and Y. Morikawa
- Journal Title
  
  Phys. Rev. B 75
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Density Functional Theoretical Calculations for a Co_2/γ-Al_2O_3 Model Catalyst : Structures of the γ-Al_2O_3 Bulk and Surface and Attachment Sites for Co^<2+> Ions2006
- Author(s)
  T.Taniike, M.Tada, Y.Morikawa, T.Sasaki, Y.Iwasawa
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 4929-4936
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Why Is Formate Synthesis Insensitive to Copper Surface Structures?2006
- Author(s)
  G.C.Wang, Y.Morikawa, T.Matsumoto, J.Nakamura
- Journal Title
  
  J.Phys.Chem.B 110
  
  Pages: 9-11
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Important role of molecular permanent dipoles of Alq_3/Al interface studied from first-principles2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Chem. Phys. Lett. 420
  
  Pages: 523-528
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001)2006
- Author(s)
  J.H.Cho, K.S.Kim, Y.Morikawa
- Journal Title
  
  J. Chem. Phys. 124
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Theoretical Investigation on the Electronic Structure of the Alq3/Al Interface2006
- Author(s)
  S.Yanaeisawa, Y.Morikawa
- Journal Title
  
  Jpn.J.Appl.Phys. 45
  
  Pages: 413-416
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Study of Interaction between Au and TiO_2(110) at Low Coverage2006
- Author(s)
  K.Okazaki-Maeda, Y.Maeda, Y.Morikawa, S.Tanaka, M.Kohyama
- Journal Title
  
  Mater. Trans. 47
  
  Pages: 2663-2668
- NAID
  10019276598
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Electronic Structures of Ag and Au adsorbed on TiO_2(110) Surfaces by First-principles Calculations2006
- Author(s)
  K.Okazaki-Maeda, Y.Morikawa, S.Ichikawa, S.Tanaka, M.Kohyama
- Journal Title
  
  Mater. Trans. 47
  
  Pages: 2669-2673
- NAID
  10019276635
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Ab initio material designof CN for control of DB in a-Si2006
- Author(s)
  N. Mitsuda, K. Shirai, Y. Morikawa, H. Katayama-Yoshida
- Journal Title
  
  Physica B 376-377
  
  Pages: 240-244
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] 第一原理計算による触媒研究の動向2006
- Author(s)
  森川良忠
- Journal Title
  
  表面科学 27(6)
  
  Pages: 354-359
- NAID
  10019173997
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001)2006
- Author(s)
  J.H.Cho, K.S.Kim, Y.Morikawa
- Journal Title
  
  J.Chem.Phys 124
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Important role of molecular permanent dipoles of Alq3/Al interface studied from first-principles2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Chem. Phys. Lett. 420
  
  Pages: 523-528
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Important role of molecular permanent dipoles of Alq_3/Al interface studied from first-principles2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Chem. Phys. Lett. 420
  
  Pages: 523-528
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Important role of molecular permanent dipoles of Alq_3/Al interface studied from first-principles2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Chemical Physics Letters (In press)
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Ab initio material design of CN for control of DB in a-Si2006
- Author(s)
  N.Mitsuda, K.Shirai, Y.Morikawa, H.Katayama-Yoshida
- Journal Title
  
  Physica B 376-377
  
  Pages: 240-244
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Electronic Structures of Ag and Au adsorbed on TiO_2(110) Surfaces by First-principles Calculations2006
- Author(s)
  K.Okazaki-Maeda, Y.Morikawa, S.Ichikawa, S.Tanaka, M.Kohyama
- Journal Title
  
  Mater. Trans. 47
  
  Pages: 2669-2673
- NAID
  10019276635
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Why is Formate Synthesis Insensitive to Copper Surface Structures?2006
- Author(s)
  G.C.Wang, Y.Morikawa, T.Matsumoto, J.Nakamura
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 9-11
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Density Functional Theoretical Calculations for a Co_2/γ-Al_2O_3 Model Catalyst : Structures of the γ-Al_2O_3 Bulk and Surface and Attachment Sites for Co^<2+> Ions2006
- Author(s)
  T.Taniike, M.Tada, Y.Morikawa, T.Sasaki, Y.Iwasawa
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 4929-4936
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] 第一原理計算による触媒研究の動向2006
- Author(s)
  森川良忠
- Journal Title
  
  表面科学 27(6)
  
  Pages: 354-359
- NAID
  10019173997
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Theoretical Investigation on the Electronic Structure of the Alq_3/Al Interface2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Japanese Journal of Applied Physics 45
  
  Pages: 413-416
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Why is Formate Synthesis Insensitive to Copper Surface Structures?2006
- Author(s)
  G.C.Wang, Y.Morikawa, T.Matsumoto, J.Nakamura
- Journal Title
  
  J. Phys. Chem. B 110
  
  Pages: 9-11
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Structure and binding energies of unsaturated hydrocarbons on Si(001) and Ge(001)2006
- Author(s)
  J.H.Cho, K.S.Kim, Y.Morikawa
- Journal Title
  
  Journal of Chemical Physics 124
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Theoretical Investigation on the Electronic Structure of the Alq_3/Al Interface2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Jpn. J. Appl. Phys. 45
  
  Pages: 413-416
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Study of Interaction between Au and TiO2(110) at Low Coverage2006
- Author(s)
  K.Okazaki-Maeda, Y.Maeda, Y.Morikawa, S.Tanaka, M.Kohyama
- Journal Title
  
  Mater. Trans. 47
  
  Pages: 2663-2668
- NAID
  130004452952
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Important role of molecular permanent dipoles of Alq3/Al interface studied from first-principles2006
- Author(s)
  S. Yanagisawa and Y. Morikawa
- Journal Title
  
  Chem. Phys. Lett. 420
  
  Pages: 523-528
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Theoretical Investigation on the Electronic Structure of the Alq_3/Al Interface2006
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Jpn. J. Appl. Phys. 45
  
  Pages: 413-416
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Ab initio material design of CN for control of DB in a-Si2006
- Author(s)
  N.Mitsuda, K.Shirai, Y.Morikawa, H.Katayama-Yoshida
- Journal Title
  
  Physica B 376-377
  
  Pages: 240-244
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Oxygen vacancy promoting catalytic dehydration of formic acid on TiO2(110) by in situ scanning tunneling observation2005
- Author(s)
  M.Aizawa, Y.Morikawa, Y.Namai, H.Morikawa, Y.Iwasawa
- Journal Title
  
  J.Phys.Chem.B 109
  
  Pages: 18831-18838
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Stability and electronic structure of Ge(105)1x2 : A first-priilciples theoretical study2005
- Author(s)
  T.Hashimoto, Y.Morikawa, K.Terakura
- Journal Title
  
  Surf.Sci. 576
  
  Pages: 61-66
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Kinetic Mechanism of Methanol Decomposition on Ni(111) Surface : A Theoretical Study2005
- Author(s)
  G.C.Wang, Y.H.Zhou, Y.Morikawa, J.Nakamura, Z.S.Cai, X.Z.Zhao
- Journal Title
  
  Journal of Physical Chemistry B 109
  
  Pages: 12431-12442
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Hydrogen-induced instability of the Ge(105) surface2005
- Author(s)
  Y.Fujikawa, T.Nagao, Y.Yamada-Takamura, T.Sakurai, T.Hashimoto, Y.Morikawa, K.Terakura
- Journal Title
  
  Physical Review Letters 94
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Kinetic Mechanism of Methanol Decomposition on Ni(111) Surface : A Theoretical Study2005
- Author(s)
  G.C.Wang, Y.H.Zhou, Y.Morikawa, J.Nakamura, Z.S.Cai, X.Z.Zhao
- Journal Title
  
  J.Phys.Chem.B 109
  
  Pages: 12431-12442
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] 基礎4STATE-Senri、応用4STATE-Senri2005
- Author(s)
  森川良忠
- Journal Title
  
  「計算機マテリアリデザイン入門」, 笠井秀明, 赤井久純, 吉田愽編(大阪大学出版会、pp.54-72, 260-273)
  
  Pages: 397-397
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Effects of stoichiometry on electronic states of Au and Pt supported on TiO2(110)2005
- Author(s)
  K.Okazaki, Y.Morikawa, S.Tanaka, K.Tanaka, M.Kohyama
- Journal Title
  
  J.Mater.Sci. 40
  
  Pages: 3075-3080
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] Why Is Formate Synthesis Insensitive to Copper Surface Structures?2005
- Author(s)
  G.C.Wang, Y.Morikawa, T.Matsumoto, J.Nakamura
- Journal Title
  
  Journal of Physical Chemistry B 110
  
  Pages: 9-11
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Stability and electronic structure of Ge(105)1x2 : A first-principles theoretical study,2005
- Author(s)
  T.Hashimoto, Y.Morikawa, K.Terakura
- Journal Title
  
  Surface Science 576
  
  Pages: 61-66
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Effects of stoichiometry on electronic states of Au and Pt supported on TiO_2(110)2005
- Author(s)
  K.Okazaki, Y.Morikawa, S.Tanaka, K.Tanaka, M.Kohyama
- Journal Title
  
  Journal of Material Science 40
  
  Pages: 3075-3080
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] Oxygen vacancy promoting catalytic dehydration of formic acid on TiO_2(110) by in situ scanning tunneling observation2005
- Author(s)
  M.Aizawa, Y.Morikawa, Y.Namai, H.Morikawa, Y.Iwasawa
- Journal Title
  
  Journal of Physical Chemistry B 109
  
  Pages: 18831-18838
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] 第一原理電子状態計算による表面吸着系の振動スペクトル解析2004
- Author(s)
  森川良忠
- Journal Title
  
  分光研究 53(1)
  
  Pages: 28-29
- NAID
  10012488347
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Theoretical Study of n-Alkane Adsorption on Metal Surfaces.2004
- Author(s)
  Y.Morikawa, H.Ishii, K.Seki
- Journal Title
  
  Phys.Rev.B. 69
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] 有機分子エレクトロニクスへの第一原理計算の応用2004
- Author(s)
  森川良忠
- Journal Title
  
  固体物理 39(11)
  
  Pages: 818-823
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] First-principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO_2(110) Surface2004
- Author(s)
  Y.Morikawa
- Journal Title
  
  J.Phys.Chem.B 108(38)
  
  Pages: 14446-14451
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] First-principles Theoretical Study and Scanning Tunneling Microscopic Observation of Dehydration Process of Formic Acid on a TiO_2(110) Surface2004
- Author(s)
  Y. Morikawa
- Journal Title
  
  J. Phys. Chem. B 108
  
  Pages: 14446-14451
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Theoretical Study of n-alkane Adsorption on Metal Surfaces2004
- Author(s)
  Y.Morikawa
- Journal Title
  
  Phys.Rev.B 69
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Theoretical Study of n-alkane Adsorption on Metal Surfaces2004
- Author(s)
  Y. Morikawa
- Journal Title
  
  Phys. Rev. B 69
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] 第一原理電子状態計算による自己組織化膜の研究2004
- Author(s)
  森川良忠
- Journal Title
  
  膜 29
  
  Pages: 363-366
- NAID
  10014184050
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Methylthiolate Induced Vacancy Formation on Au(111) : A Density Functional Theoretical Study2002
- Author(s)
  Y. Morikawa
- Journal Title
  
  Surf Sci. 514
  
  Pages: 389-393
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] First-principles Theoretical Study of Alkylthiolate Adsorption on Au(111)2002
- Author(s)
  Y. Morikawa
- Journal Title
  
  Surf Sci. 507-510
  
  Pages: 46-50
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] First-principles Theoretical Study of Alkylthiolate Adsorption on Au(111)2002
- Author(s)
  Y.Morikawa
- Journal Title
  
  Surf.Sci. 507-510
  
  Pages: 46-50
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] Methylthiolate Induced Vacancy Formation on Au(111): A Density Functional Theoretical Study2002
- Author(s)
  Y.Morikawa
- Journal Title
  
  Surf.Sci 514
  
  Pages: 389-393
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] 金-チオール系自己組織化膜の第一原理分子動力学シミュレーション2002
- Author(s)
  森川良忠
- Journal Title
  
  表面科学 23
  
  Pages: 423-430
- NAID
  10009298858
- Description
  「研究成果報告書概要(和文)」より
- Data Source
  KAKENHI-PROJECT-14GS0213
[Journal Article] First-principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface
- Author(s)
  O.Sugino, I.Hamada, M.Otani, Y.Morikawa, T.Ikeshoji, Y.Okamoto
- Journal Title
  
  Surf. Sci. (In press)
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles Molecular Dynamics Simulation of Biased Electrode/Solution Interface
- Author(s)
  O.Sugino, I.Hamada, M.Otani, Y.Morikawa, T.Ikeshoji, Y.Okamoto
- Journal Title
  
  Surf. Sci. (In Press)
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] First-principles molecular dynamics study of Al/Alq_3 interfaces
- Author(s)
  K.Takeuchi, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Sci. Tech. Adv. Mater. (In Press)
- Data Source
  KAKENHI-PROJECT-17069013
[Journal Article] A First-principles Investigation on the Mechanism of Nitrogen Dissolution in the Na Flux Method
- Author(s)
  M.Kawahara, F.Kawamura, M.Yoshimura, Y.Mori, T.Sasaki, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J. Appl. Phys. (In press)
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] First-principles molecular dynamics study of Al/Alq3 interfaces
- Author(s)
  K.Takeuchi, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  Sci. Tech. Adv. Mater. (In press)
- Data Source
  KAKENHI-PROJECT-17064009
[Journal Article] A First-principles Investigation on the Mechanism of Nitrogen Dissolution in the Na Flux Method
- Author(s)
  M.Kawahara, F.Kawamura, M.Yoshimura, Y.Mori, T.Sasaki, S.Yanagisawa, Y.Morikawa
- Journal Title
  
  J. Appl. Phys. (In Press)
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Elucidating thermal stability of Pd/Sr3Ti2O7 by machine learning enhanced global optimization and thermodynamics2024
- Author(s)
  Thanh Ngoc Pham, Beatriz Andrea Choi Tan, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, and Yoshitada Morikawa
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Machine Learning Molecular Dynamics Simulation of Vibration2024
- Author(s)
  Harry Halim, Yoshitada Morikawa
- Organizer
  日本物理学会2024年春季大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] “Molecular dynamics study on chiral recognition mechanism of thiaheterohelicene molecules”2023
- Author(s)
  Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Akira Saito, Hideji Osuga, Yoshitada Morikawa, Yuji Kuwahara
- Organizer
  2023年日本物理学会春季大会
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] “Theoretical study on stereo recognition of thiaheterohelicene on Ag(111)”2023
- Author(s)
  C. Ye, T. Hattori, Y. Hamamoto, P. Krukowski, A. Saito, H. Osuga, Y. Morikawa, and Y. Kuwahara
- Organizer
  36th European Conference on Surface Science (ECOSS36)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] Machine Learning Molecular Dynamics Simulation of CO-driven Formation of Cu Clusters on a Cu(111) Surface2023
- Author(s)
  Yoshitada Morikawa
- Organizer
  36th European Conference on Surface Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] Metal-support interaction of Pd/Sr3Ti2O7 under the three-way catalyst atmosphere revealed by machine learning enhanced global optimization2023
- Author(s)
  Thanh N. Pham, Beatriz A. C. Tan, Malthe K. Bisho, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Bjork Hammer, Yoshitada Morikawa
- Organizer
  ACS Spring 2023
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] 機械学習分子動力学法によるCO吸着したCuステップ表面の再構成の解析2023
- Author(s)
  上田亮, Harry Handoko Halim, 森川良忠
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] First-principles and machine-learning study of interface chemical reactions for energy and environmental problems2023
- Author(s)
  Harry Handoko Halim and Yoshitada Morikawa
- Organizer
  European Conference on Surface Science 36
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Machine learning molecular dynamics simulation of vibration driven CO2 hydrogenation to formate on Cu(111) surface2023
- Author(s)
  Harry H. Halim and Yoshitada Morikawa
- Organizer
  2023年日本表面真空学会学術講演会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] “Stereochemical Recognition of thiaheterohelicene derivatives Investigated by STM and Raman Scattering Spectroscopy”2023
- Author(s)
  Y. Kuwahara, T. Hattori, P. Krukowski, C. Ye, A. Saito, Y. Hamamoto, Y. Morikawa, and H. Osuga
- Organizer
  36th European Conference on Surface Science (ECOSS36)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] Machine Learning Molecular Dynamics Simulation of CO2 Hydrogenation to Formate on Cu(111) Surface2023
- Author(s)
  Harry Halim, Yoshitada Morikawa
- Organizer
  日本物理学会2023年春季大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Hydrogenation process of CO2 on metal catalysts studied by combined first- principles and machine learning methods2023
- Author(s)
  Yoshitada Morikawa
- Organizer
  48th Vietnam Conference on Theoretical Physics
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] First-principles and machine-learning study of interface chemical reactions for energy and environmental problems2023
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 4th International Workshop in Advanced Materials and Devices -IWAMD 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] NO Reduction Reaction on Cu catalyst2023
- Author(s)
  Muhammad Rifqi Al Fauzan, Thanh Ngoc Pham, Yoshitada Morikawa
- Organizer
  The 8th International Conference on Mathematics and Natural Sciences (ICMNS2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Metal-support interaction of Pd/Sr3Ti2O7 catalysts revealed by machine-learning enhanced global optimization and thermodynamics2023
- Author(s)
  Thanh N. Pham, Beatriz A. C. Tan, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada and Yoshitada Morikawa
- Organizer
  第17回　物性科学領域横断研究会 (領域合同研究会)
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Molecular dynamics study on chiral recognition mechanism of thiaheterohelicene molecules2023
- Author(s)
  Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Akira Saito, Hideji Osuga, Yoshitada Morikawa, Yuji Kuwahara
- Organizer
  2023年日本物理学会春季大会
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] Hydrogenation process of CO2 on metal catalysts studied by combined first-principles and machine learning methods2023
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 48th Vietnam Conference on Theoretical Physics
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] The Elucidation of Cu-Zn Surface Alloying by Machine Learning Molecular Dynamics2023
- Author(s)
  Harry Handoko Halim, Yoshitada Morikawa
- Organizer
  The 8th International Conference on Mathematics and Natural Sciences (ICMNS2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Density functional theory study on NO-H2O complex formation on Cu(111)2023
- Author(s)
  Thanh N Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  Asia Pacific Conference of Theoretical and Computational Chemistry (APATCC-10)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study of Hydrogenation Process of CO2 on Metal Catalysts2023
- Author(s)
  Yoshitada Morikawa
- Organizer
  Surface Science Discussion 2023, Modern trends in surface science studies,
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] First-principles and machine-learning study of interface chemical reactions for energy and environmental problems2023
- Author(s)
  Harry Handoko Halim and Yoshitada Morikawa
- Organizer
  The 4th International Workshop on Advanced Materials and Devices 2023
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Machine Learning Molecular Dynamics Simulation of CO-driven Formation of Cu Clusters on Cu(111) Surface2023
- Author(s)
  Harry Handoko Halim, Ryo Ueda, Yoshitada Morikawa
- Organizer
  Advanced Materials Research GRAND MEETING (MRM2023)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Van der Waals density functional study of NO-H2O coadsorption on Cu(111)2022
- Author(s)
  Thanh N Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  6th International Symposium on Frontiers in Materials Science (FSM2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] A density functional theory study on NO-H2O co-adsorption on Cu(111)2022
- Author(s)
  Thanh Ngoc Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada and Yoshitada Morikawa
- Organizer
  学際大規模情報基盤共同利用・共同研究拠点第14回シンポジウム
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study on the Dry Reforming of Methane2022
- Author(s)
  Yoshitada Morikawa
- Organizer
  6th International Conference on Catalysis and Chemical Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] Multi-scale simulations of equilibrium step fluctuations and Cu-Zn surface alloying on Cu(111)2022
- Author(s)
  Harry-Handoko Halim, Yoshitada Morikawa
- Organizer
  The 9th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT9)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] The elucidation of Cu-Zn surface alloying on Cu(997) by machine learning molecular dynamics2022
- Author(s)
  Harry Handoko Halim, Yoshitada Morikawa
- Organizer
  The 22nd International Vacuum Congress (IVC-22)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Machine Learning Molecular Dynamics Simulation of Cu-Zn Surface Alloy2022
- Author(s)
  Harry Halim, Yoshitada Morikawa
- Organizer
  2022関西薄膜・表面物理セミナー
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study of hydorogenation process of CO2 on metal catalysts2022
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 22nd International Vacuum Congress (IVC-22)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Density functional theory study on a nitrogen-rich carbon nitride material C3N5 as photocatalyst for CO2 reduction to C1 and C2 products2022
- Author(s)
  Yuelin WANG, Thanh Ngoc PHAM, Yoshitada Morikawa, Likai YAN
- Organizer
  The 9th Tokyo Conference on Advanced Catalytic Science and Technology (TOCAT9)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] The elucidation of Cu-Zn surface alloying on Cu(997) by machine learning molecular dynamics2022
- Author(s)
  Harry Handoko Halim, Yoshitada Morikawa
- Organizer
  The 12th International Conference on Environmental Catalysis(ICEC2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Activity and selectivity of N2 fixation on B doped g-C9N10: A density functional theory study2022
- Author(s)
  Yuelin Wang, Thanh Ngoc Pham, Likai Yan, Yoshitada Morikawa
- Organizer
  The 22nd International Vacuum Congress (IVC-22)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Magnetism and Semiconducting Behavior in Nickel Selenide2022
- Author(s)
  Beatriz Andrea Choi Tan, Ace Christian Feraren Serraon, Allan Abraham Bustria Padama, Ikutaro Hamada, Joey Duran Ocon, Yoshitada Morikawa, Takao Kotani
- Organizer
  The 22nd International Vacuum Congress (IVC-22)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Density functional study of NO-H2O coadsorption on Cu(111)2022
- Author(s)
  Thanh N Pham, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  The 5th International Conference on Advanced Materials and Nanotechnology (ICAMN 2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical study on the chiral recognition mechanisim of thiaheterohelicene molecules using DFT and MD calculations2022
- Author(s)
  Changqing Ye, Takuma Hattori, Yuji Hamamoto, Pawel Krukowski, Akira Saito, Hideji Osuga, Yoshitada Morikawa, Yuji Kuwahara
- Organizer
  2022年度関西薄膜・表面物理セミナー
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] Origin of Sintering Resistance of Pd/Sr3Ti2O7 under the Three-way Catalyst atmosphere revealed by Machine Learning enhanced Global Optimization2022
- Author(s)
  Thanh N. Pham, Beatriz A. C. Tan, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  The 22nd International Vacuum Congress (IVC-22)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study of Hydrogenation Process of CO2 on Metal Catalysts2022
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 22nd International Vacuum Congress IVC-22
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] Chiral recognition of thiaheterohelicene molecules studied by STM and TERS2022
- Author(s)
  Takuma Hattori Pawel Krukowski Ye Changqing, Yuji Hamamoto, Akira Saito, Yoshitada Morikawa,Hideji Osuga, Yuji Kuwahara
- Organizer
  International Conference of Computational Methods in Sciences and Engineering 2022(ICCMSE2022)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H00333
[Presentation] Insight into sintering resistance of Pd/Sr3Ti2O7 under the three-way catalyst atmosphere revealed by machine learning enhanced global optimization2022
- Author(s)
  Thanh N. Pham, Beatriz A. C. Tan, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  The 12th International Conference on Environmental Catalysis(ICEC2022)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study on Dry Reforming of Methane2021
- Author(s)
  Yoshitada Morikawa
- Organizer
  Soedirman’s International Conference on Mathematics and Applied Sciences (SICoMAS 2021)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-20H05883
[Presentation] Theoretical Study on Dry Reforming of Methane2021
- Author(s)
  Yoshitada Morikawa
- Organizer
  Soedirman’s International Conference on Mathematics and Applied Sciences (SICoMAS 2021)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Density functional theory on nitrogen (N) doped graphdiyne as electrocatalyst2021
- Author(s)
  Y. Wang , T. N.Pham , L. Yan and Y. Morikawa
- Organizer
  ISSS-9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] N2 fixation on B doped g-C9N10: thermodynamic and kinetic analysis2021
- Author(s)
  Yuelin Wang, Thanh Ngoc Pham, Yoshitada Morikawa*, Likai Yan
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Role of intermolecular interactions in NO chemisorption on Cu(111)2021
- Author(s)
  T. N. Pham , Y. Hamamoto , K. Inagaki , I. Hamada and Y. Morikawa
- Organizer
  ISSS-9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Nuclear Quantum Effect of Methane Adsorbed on Metal Surfaces2021
- Author(s)
  S. E.M. Putra , Y. Morikawa, and I. Hamada
- Organizer
  ISSS-9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] The Elucidation of Cu-Zn Surface Alloying on Cu(111) by Machine-Learning Molecular Dynamics2021
- Author(s)
  Harry Handoko HALIM, Yoshitada MORIKAWA
- Organizer
  日本物理学会第77回年次大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Multi-scale Simulation of Equilibrium Step Fluctuations on Cu(111) Surfaces2021
- Author(s)
  H. H. Halim , S. E. M. Putra , F. Muttaqien , I. Hamada , K. Inagaki , Y. Hamamoto and Y. Morikawa
- Organizer
  ISSS-9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Theoretical Study on the Dry Reforming of Methane2021
- Author(s)
  Yoshitada Morikawa
- Organizer
  6th International Conference on Catalysis and Chemical Engineering
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] Density Functional Kinetic Monte Carlo Simulation of Surface Step Fluctuation on the Cu(111) Surface2020
- Author(s)
  Harry H. Halim, Septia E.M Putra, Fahdzi MuttaqienA, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  日本物理学会2020秋季大会
- Data Source
  KAKENHI-PROJECT-20H02569
[Presentation] 電子状態計算による酸化物中の酸素拡散機構と金属表面上でのNO解離反応機構に関する研究2019
- Author(s)
  森川良忠
- Organizer
  スーパーコンピュータワークショップ2018
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles theoretical study of catalytic reactions at surfaces and interfaces2019
- Author(s)
  Yoshitada Morikawa
- Organizer
  THE 21ST ASIAN WORKSHOP ON FIRST-PRINCIPLES ELECTRONIC STRUCTURE CALCULATIONS
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 3D Atomic Imaging of As Doped in Si by Spectro-Photoelectron Holography2019
- Author(s)
  Kazuo Tsutsui, Tomohiro Matsushita, Takayuki Muro, Yoshitada Morikawa, Kotaro Natori, Takuya Hoshii, Kuniyuki Kakushima, Hitoshi Wakabayashi, Kouichi Hayashi, Fumihiko Matsui, and Toyohiko Kinoshita
- Organizer
  The 8th International Symposium on Control of Semiconductor Interfaces　（ISCSI-VIII)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] 局所構口の学理の新展開2019
- Author(s)
  森川良忠
- Organizer
  放射光科学合同シンポジウム
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Analyses of 3D Atomic Arrangements of Dopants in Si Crystal Using Spectro-photoelectron Holography2019
- Author(s)
  K. Tsutsui, K. Natori, T. Ogawa, T. Muro, T. Matsuishita, Y. Morikawa, T. Hoshii, K. Kakushima, H. Wakabayashi, K. Hayashi, F. Matsui, T. Kinoshita
- Organizer
  Materials Research Meeting 2019　（MRM2019)
- Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] Origin of (NO)3 Formation on Cu(111) from Density Functional Theory Calculations.2019
- Author(s)
  Yoshitada MORIKAWA, Thanh Ngoc PHAM, Kouji INAGAKI, Do Ngoc SON, Ikutaro HAMADA, Yuji HAMAMOTO
- Organizer
  MATERIALS RESEARCHMEETING(2019MRM2019)
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] 局所構造の学理の新展開2019
- Author(s)
  森川良忠
- Organizer
  放射光科学合同シンポジウム
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Theoretical Study on Electronically and Catalytically Active Sites at Graphene2019
- Author(s)
  Yoshitada MORIKAWA, Sasfan Arman WELLA, Fahdzi MUTTAQIEN, Suprijadi HARYONO, Kouji INAGAKI,Yuji HAMOTO, Ikutaro HAMADA
- Organizer
  MATERIALS RESEARCHMEETING(2019MRM2019)
- Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] First-principles Theoretical Study on Electronic Properties and Chemical Reactions at Surfaces and Interfaces2019
- Author(s)
  Yoshitada Morikawa
- Organizer
  The International Symposium on Applied Science 2019（ISAS2019）
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] 電子状態計算による酸化物中の酸素拡散機構と金属表面上でのNO解離反応機構に関する研究2019
- Author(s)
  森川良忠
- Organizer
  スーパーコンピュータワークショップ2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Theoretical Study on Atomic Geometries, Electronic Properties, and Chemical Reactivity of Active Sites at Graphene2019
- Author(s)
  Yoshitada Morikawa
- Organizer
  The first international Workshop on Momentum Microscopy & Spectroscopy for Materials Science
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Elucidation and Design of Chemical Reactions at Surfaces and Interfaces using First-principles Simulations2019
- Author(s)
  Yoshitada Morikawa
- Organizer
  Joint 5th Int’l Symposium on Frontiers in Materials Science & 3rd Int’l Symposium on Nano-materials, Technology and Applications (FMS - NANOMATA 2019)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] 第一原理電子状態計算による有機/金属界面の研究概要2019
- Author(s)
  森川良忠
- Organizer
  ノートパソコン分子モデリグ「分子会合系の量子化学」
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] Theoretical Design of Chemical Reactions at Surfaces and Interfaces using First-principles Simulation2019
- Author(s)
  Yoshitada Morikawa
- Organizer
  D.B.Robinson Speaker Series(University of Alberta)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] 光電子ホログラフィー法によるシリコン中に高濃度ドープされた活性および不活性な不純物原子の三次元原子配列構造の観測2019
- Author(s)
  筒井一生、松下智裕、名取鼓太郞、小川達博、室隆桂之、森川良忠、星井拓也、角嶋邦之、若林整、林好一、松井文彦、木下豊彦
- Organizer
  応用物理学会シリコンテクノロジー分科会研究会/電子情報通信学会SDM研究会（合同開催）
- Invited
- Data Source
  KAKENHI-WRAPUP-19H05451
[Presentation] Pt触媒を用いたGaN表面CARE加工の第一原理計算による解析 -Ga面のキンク部における反応解析-2018
- Author(s)
  稲垣耕司, Pho Bui Van, 長谷川未貴, 山内和人, 森川良忠
- Organizer
  2018年精密工学会春季大会学術講演会G80
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] First-principles Investigation of Catalytic Reactions at Surfaces, Interfaces and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 2nd edition of the Physical Chemistry and Chemical Physics Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles theoretical study of catalytic reactions at surfaces and interfaces2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  THE 21ST ASIAN WORKSHOP ON
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] First-principles Investigation of Catalytic Reactions at Surfaces, Interfaces and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 2nd edition of the Physical Chemistry and Chemical Physics Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] First-principles theoretical study of catalytic reactions at surfaces and interfaces2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  THE 21ST ASIAN WORKSHOP ON FIRST-PRINCIPLES ELECTRONIC STRUCTURE CALCULATIONS
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles Theoretical Study of Catalytic Reactions for Energy and Environmental Problems2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  the 2018 International Conference on Environment (ICENV 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Investigation of Catalytic Reactions at Surfaces, Interfaces and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 2nd edition of the Physical Chemistry and Chemical Physics Workshop
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] van der Waals密度汎関数法による鉛フタロシアニン-グラフェン界面の鏡像状態の理論的研究2018
- Author(s)
  濱本雄治, 澤田寛之, S. A. Wella, 稲垣耕司, 濱田幾太郎, 森川良忠
- Organizer
  日本物理学会第73回年次大会, 東京理科大学
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] First-principles Theoretical Study of Catalytic Reactions for Energy and Environmental Problems2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  the 2018 International Conference on Environment (ICENV 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] First-principles Theoretical Study of Catalytic Reactions at Surfaces, Interfaces, and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  International Congress on Pure and Applied Chemistry Langkawi (ICPAP Langkawi) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Theoretical Study of Catalytic Reactions at Surfaces, Interfaces, and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  International Congress on Pure and Applied Chemistry Langkawi (ICPAP Langkawi) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles Theoretical Study of Catalytic Reactions at Surfaces, Interfaces, and in Solution2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  International Congress on Pure and Applied Chemistry Langkawi (ICPAP Langkawi) 2018
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] 自由エネルギー表面計算を高速化するための新しいメタダイナミクス法の開発2018
- Author(s)
  和田一真, 稲垣耕司, 森川良忠
- Organizer
  第65回応用物理学会春季学術講演会18p-P2-9
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] First-principles Theoretical Study of Catalytic Reactions for Energy and Environmental Problems2018
- Author(s)
  Yoshitada Morikawa
- Organizer
  the 2018 International Conference on Environment (ICENV 2018)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Image potential states of lead phthalocyanine on graphene from first principles2017
- Author(s)
  Hiroyuki Sawada, Sasfan Arman Wella, Yuji Hamamoto, Kouji Inagaki, and Yoshitada Morikawa
- Organizer
  Symposium on Surface Science & Nanotechnology -25th Anniversary of SSSJ Kansai- (SSSN-Kansai)
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2017-01-24
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] Benzene adsorption on Si(100) revisited: van der Waals density functional study2017
- Author(s)
  Yuji Hamamoto, Ikutaro Hamada, Kouji Inagaki, and Yoshitada Morikawa
- Organizer
  Symposium on Surface Science & Nanotechnology -25th Anniversary of SSSJ Kansai- (SSSN-Kansai)
- Place of Presentation
  Kyoto, Japan
- Year and Date
  2017-01-24
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] The Effect of pH on Optical Intensities of a Ruthenium(II) Phenanthroline-thiourea complex: An Experimental and Theoretical Investigation2017
- Author(s)
  Siew San Tan, Mohammad B. Kassim, Kouji Inagaki, and Yoshitada Morikawa
- Organizer
  Symposium on Surface Science & Nanotechnology -25th Anniversary of SSSJ Kansai-" (SSSN-Kansai)
- Place of Presentation
  京都市国際交流協会
- Year and Date
  2017-01-24
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Interlayer states induced by image potential states in naphthalene on graphene2017
- Author(s)
  Y. Hamamoto, S.A. Wella, H. Sawada, N. Kawaguchi, F. Muttaqien, I. Hamada, K. Inagaki and Y. Morikawa
- Organizer
  33rd European Conference on Surface Science (ECOSS33), Szeged, Hungary
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] van der Waals密度汎関数法による有機-固体界面の鏡像状態の研究2017
- Author(s)
  濱本雄治、S.A. Wella、澤田寛之、川口奈々、F. Muttaqien、濱田幾太郎、稲垣耕司、森川良忠
- Organizer
  計算物質科学の今と未来, 東京大学物性研究所
- Invited
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] ナフタレンを担持したグラフェンの鏡像状態の理論的研究2017
- Author(s)
  濱本雄治、S. A. Wella、澤田寛之、川口奈々、F. Muttaqien、稲垣耕司、濱田幾太郎、森川良忠
- Organizer
  日本物理学会秋季大会, 岩手大学
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] First-principles theoretical study on chemical reactions at surfaces and interfaces related to energy and environmental problems.2016
- Author(s)
  Y. Morikawa
- Organizer
  International Workshop on Advanced Materials and Nanotechnology 2016 (IWAMN 2016)
- Place of Presentation
  Ha Noi, Vietnam
- Year and Date
  2016-11-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles theoretical study on chemical reactions at surfaces and interfaces related to energy and environmental problems.2016
- Author(s)
  Y. Morikawa
- Organizer
  International Workshop on Advanced Materials and Nanotechnology 2016 (IWAMN 2016)
- Place of Presentation
  Ha Noi, Vietnam
- Year and Date
  2016-11-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Theoretical Study on Electronic Structure of Bathocuproine: Renormalization of the Band Gap in the Crystal and the Large Exciton Binding Energy2016
- Author(s)
  S. Yanagisawa, S. Hatada and Y. Morikawa
- Organizer
  APS March Meeting 2016
- Place of Presentation
  Baltimore, MD, USA
- Year and Date
  2016-03-14
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26810009
[Presentation] Study of Naphthalene Adsorption on Graphene: van der Waals Density Functional Theory2016
- Author(s)
  Sasfan Arman Wella, Nana Kawaguchi, Fahdzi Muttaqien, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada, and Yoshida Morikawa
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] 第一原理シミュレーションによる固体触媒表面上でのNO, CO, CO2分子の吸着と反応過程の研究2016
- Author(s)
  森川良忠
- Organizer
  重点課題⑤「エネルギーの高効率な創出，変換・貯蔵，利用の新規基盤技術の開発」第１回連携推進ワークショップ：触媒元素戦略研究との連携を求めて
- Place of Presentation
  北海道大学　フロンティア応用科学研究棟〔北海道札幌市）
- Year and Date
  2016-11-30
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles Simulations on Chemical Reactions at Surfaces and Interfaces Related to Energy and Environmental Problems2016
- Author(s)
  Yoshitada Morikawa
- Organizer
  1st International Conference on Physical Instrumentation and Advanced Materials
- Place of Presentation
  Surabaya, Indonesia
- Year and Date
  2016-10-27
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles Simulations on Chemical Reactions at Surfaces and Interfaces Related to Energy and Environmental Problems2016
- Author(s)
  Yoshitada Morikawa
- Organizer
  1st International Conference on Physical Instrumentation and Advanced Materials
- Place of Presentation
  Surabaya, Indonesia
- Year and Date
  2016-10-27
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] First-principles Investigations on Atomic Processes at Surfaces and Interfaces Related to Energy and Environmental Problems2016
- Author(s)
  Yoshitada Morikawa
- Organizer
  Symporium Nanotechnology 2016
- Place of Presentation
  Grand Inna Kuta, Bali, Indonesia
- Year and Date
  2016-10-28
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] irst-principles Simulations on Chemical Reactions at Surfaces and Interfaces Related to Energy and Environmental Problems2016
- Author(s)
  Yoshitada Morikawa
- Organizer
  1st International Conference on Physical Instrumentation and Advanced Materials
- Place of Presentation
  Surabaya, Indonesia
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Study of Naphthalene Adsorption on Graphene: van der Waals Density Functional Theory2016
- Author(s)
  Sasfan Arman WellaA, B, Nana KawaguchiC, Fahdzi MuttaqienA, Yuji HamamotoA, Kouji InagakiA, Ikutaro HamadaD, and Yoshida MorikawaA
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学(宮城県仙台市)
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles theoretical study on chemical reactions at surfaces and interfaces related to energy and environmental problems.2016
- Author(s)
  Y. Morikawa
- Organizer
  International Workshop on Advanced Materials and Nanotechnology 2016 (IWAMN 2016)
- Place of Presentation
  Ha Noi, Vietnam
- Year and Date
  2016-11-03
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-INTERNATIONAL-15K21719
[Presentation] Naphthalene Adsorption on Graphene: van der Waals Density Functional Study2016
- Author(s)
  Sasfan Arman Wella, Nana Kawaguchi, Hiroyuki Sawada, Fahdzi Muttaqien, Yuji Hamamoto, Kouji Inagaki, Ikutaro Hamada and Yoshitada Morikawa
- Organizer
  32nd European Conference on Surface Science (ECOSS-32)
- Place of Presentation
  Grenoble, France
- Year and Date
  2016-08-28
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] DFT計算によるLaFeO3(001)面におけるFeO2終端表面上のNO分子吸着と磁性及び酸素欠陥の効果2016
- Author(s)
  木崎栄年, 森川良忠
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学(宮城県仙台市)
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Simulations of Catalytic Reactions in Crystal Growthand EtchingProcesses at Semiconductor Interfaces2016
- Author(s)
  Y. Morikawa
- Organizer
  12th International Conference of Computational Methods in Sciencesand Engineering (ICCMSE 2016）
- Place of Presentation
  Athens, Greece
- Year and Date
  2016-03-17
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Simulations of Catalytic Reactions in Crystal Growthand EtchingProcesses at Semiconductor Interfaces2016
- Author(s)
  Y. Morikawa
- Organizer
  12th International Conference of Computational Methods in Sciencesand Engineering (ICCMSE 2016）
- Place of Presentation
  Athens (Greece)
- Year and Date
  2016-03-17
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-Principles Simulations of Platinum-Assisted Water Etching of SiC2016
- Author(s)
  P. V. Bui, A. Isohashi, K. Inagaki, Y. Sano, K. Yamauchi, and Y. Morikawa
- Organizer
  ECOSS32 - European Conference on Surface Science
- Place of Presentation
  Grenoble, France
- Year and Date
  2016-08-28
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] Role of Subsurface Hydrogen in Formate Hydrogenation on Flat and Stepped Cu Surfaces2016
- Author(s)
  Fahdzi Muttaqien, Yuji Hamamoto, Hidetoshi Kizaki, Kouji Inagaki, Yoshitada Morikawa
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学(宮城県仙台市)
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] aN表面CARE加工の反応メカニズムの第一原理計算による解析II -表面キンクサイト周辺のH2O終端構造-2016
- Author(s)
  稲垣耕司、森川良忠、山内和人
- Organizer
  第63回応用物理学会春季学術講演会
- Place of Presentation
  東京工業大学大岡山キャンパス、東京都目黒区
- Year and Date
  2016-03-20
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] グラフェン担持Ptクラスターに対する格子欠陥の影響2016
- Author(s)
  濱本雄治、Sasfan Arman Wella、稲垣耕司、森川良忠
- Organizer
  日本物理学会第71回年次大会
- Place of Presentation
  東北学院大学(宮城県仙台市)
- Year and Date
  2016-03-19
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理電子状態計算による局所構造とその電子的・化学的性質の解明2015
- Author(s)
  森川良忠
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学 (東京都新宿区)
- Year and Date
  2015-03-22
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Mechanism of Ligand-free Suzuki-Miyaura Cross Coupling in a Water Solven2015
- Author(s)
  T. Hirakawa, Y. Uramoto, T. Ikeda, S. Yanagisawa, K. Inagaki, and Y. Morikawa
- Organizer
  16th International Conference on Density Functional Theory and its Applications
- Place of Presentation
  Debrecen (Hungary)
- Year and Date
  2015-08-31
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 水とフッ素水溶液の第一原理分子動力学計算における原子構造の汎関数依存性2015
- Author(s)
  金森仁美、和田一真、濵本雄治、木﨑栄年、稲垣耕司、森川良忠
- Organizer
  日本物理学会２０１５年秋季大会
- Place of Presentation
  関西大学 (大阪府・吹田市)
- Year and Date
  2015-09-17
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Self-consistent van der Waals functionals study of molecular adsorption puzzles on metal and semiconductor surfaces2015
- Author(s)
  Yuji Hamamoto, Fahdzi Muttaqien, Ikutaro Hamada, Kouji Inagaki, and Yoshitada Morikawa
- Organizer
  International Workshop on Molecular Architectonics 2015
- Place of Presentation
  Hokkaido, Japan
- Year and Date
  2015-08-03
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] 第一原理電子状態計算による局所構造とその電子的・化学的性質の解明2015
- Author(s)
  森川良忠
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学（東京都新宿区）
- Year and Date
  2015-03-22
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] グラフェン担持Ptクラスターに対する格子欠陥の影響2015
- Author(s)
  濱本雄治、Jess Wellendorf、Felix Studt、稲垣耕司、Thomas Bligaard、森川良忠
- Organizer
  新学術領域研究「3D活性サイト科学」春の学校
- Place of Presentation
  春日野国際フォーラム(奈良県奈良市)
- Year and Date
  2015-05-30
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Self-consistent van der Waals density functionals applied to benzene on Si(100)2015
- Author(s)
  Yuji Hamamoto, Ikutaro Hamada, Kouji Inagaki and Yoshitada Morikawa
- Organizer
  Psi-k 2015 Conference
- Place of Presentation
  San Sebastian, Spain
- Year and Date
  2015-09-06
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] 第一原理電子状態計算による局所構造とその電子的・化学的性質の解明2015
- Author(s)
  森川良忠
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学
- Year and Date
  2015-03-22
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Study on Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces2015
- Author(s)
  Y. Morikawa
- Organizer
  Synposium & Workshop Nanotechnology 2015
- Place of Presentation
  Bandung (Indonesia)
- Year and Date
  2015-11-09
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Self-consistent van der Waals density functionals applied to benzene on Si(100)2015
- Author(s)
  Yuji Hamamoto, Ikutaro Hamada, Kouji Inagaki and Yoshitada Morikawa
- Organizer
  Psi-k 2015 Conference
- Place of Presentation
  San Sebastian, Spain
- Year and Date
  2015-09-06
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces: First-principles Molecular Dynamics Study2015
- Author(s)
  Y. Morikawa
- Organizer
  First International Symposium of Institute for Catalysis --Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  Sapporo Japan
- Year and Date
  2015-10-13
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理シミュレーションによる不均一触媒の研究2015
- Author(s)
  森川良忠
- Organizer
  物性研究所短期研究会機能物性融合科学シリーズ(3) 「反応と輸送」
- Place of Presentation
  東京大学物性研究所（千葉県柏市）
- Year and Date
  2015-06-24
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] First-principles simulations of interface reactions2015
- Author(s)
  Y. Morikawa
- Organizer
  The 6th Asian Physics Symposium
- Place of Presentation
  Bandung, Indonesia
- Year and Date
  2015-08-19
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理シミュレーションによる不均一触媒反応過程の研究2015
- Author(s)
  森川良忠
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア２０１５」
- Place of Presentation
  品川区総合区民会館きゅりあん(東京都品川区)
- Year and Date
  2015-09-15
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] van der Waals密度汎関数法によるSi(100)面上benzene吸着構造の数値的研究2015
- Author(s)
  濱本雄治、濱田幾太郎、稲垣耕司、森川良忠
- Organizer
  日本物理学会2015年秋季大会
- Place of Presentation
  関西大学(大阪府吹田市)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] van der Waals密度汎関数法によるSi(100)面上benzene吸着構造の数値的研究2015
- Author(s)
  濱本雄治、濱田幾太郎、稲垣耕司、森川良忠
- Organizer
  日本物理学会2015年秋季大会
- Place of Presentation
  関西大学
- Year and Date
  2015-09-25
- Data Source
  KAKENHI-PLANNED-25110006
[Presentation] Self-consistent van der Waals functionals study of molecular adsorption puzzles on metal and semiconductor surfaces2015
- Author(s)
  Yuji Hamamoto, Fahdzi Muttaqien, Ikutaro Hamada, Kouji Inagaki, and Yoshitada Morikawa
- Organizer
  IWMA2015
- Place of Presentation
  Sharichou, Hokkaido Japan
- Year and Date
  2015-08-03
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] GaN表面CARE加工の反応メカニズムの第一原理計算による解析ステップ/キンク部における水分子の解離吸着2015
- Author(s)
  稲垣耕司、森川良忠、山内和人
- Organizer
  第76回応用物理学会秋季学術講演会
- Place of Presentation
  名古屋国際会議場、愛知県名古屋市
- Year and Date
  2015-09-14
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] 第一原理シミュレーションによる不均一触媒の研究2015
- Author(s)
  森川良忠
- Organizer
  物性研究所短期研究会　機能物性融合科学シリーズ(3) 「反応と輸送」
- Place of Presentation
  東京大学物性研究所 (千葉県柏市)
- Year and Date
  2015-06-25
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces: First-principles Molecular Dynamics Study2015
- Author(s)
  Y. Morikawa
- Organizer
  First International Symposium of Institute for Catalysis --Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  北海道大学 (北海道・札幌市)
- Year and Date
  2015-10-13
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-principles simulations of water dissociation and adsorption of OH groups under a ClO4 molecule on Pt(322) stepped surface2015
- Author(s)
  H. Kizaki, I. Hamada, Y. Morikawa
- Organizer
  BUNSENTAGUNG 2015 - 114 th General Assembly of the German Bunsen Society for Physical Chemistry
- Place of Presentation
  Bochum, Deutschland
- Year and Date
  2015-05-13
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles simulations of interface reactions2015
- Author(s)
  Y. Morikawa
- Organizer
  The 6th Asian Physics Symposium
- Place of Presentation
  Bandung (Indonesia)
- Year and Date
  2015-08-19
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-principles simulations of interface reactions2015
- Author(s)
  Y. Morikawa
- Organizer
  The 6th Asian Physics Symposium
- Place of Presentation
  Bandung (Indonesia)
- Year and Date
  2015-08-19
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 第一原理シミュレーションによる不均一触媒反応過程の研究2015
- Author(s)
  森川良忠
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア２０１５」
- Place of Presentation
  総合区民会館きゅりあん (東京都・品川区)
- Year and Date
  2015-09-14
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-principles Study on Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces2015
- Author(s)
  Y. Morikawa
- Organizer
  Symposium & Workshop Nanotechnology 2015
- Place of Presentation
  Bandung (Indonesia)
- Year and Date
  2015-11-10
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 水溶媒を用いたリガンドフリーな鈴木反応の反応機構解析2015
- Author(s)
  平川晧朗、浦元優太、武田篤哉、三村大輔、池田隆司、柳澤将、稲垣耕司、森川良忠
- Organizer
  第９回分子科学討論会
- Place of Presentation
  東京工業大学 (東京都・目黒区)
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Catalytic Reactions in Crystal Growth and Etching Processes at Semiconductor Surfaces: First-principles Molecular Dynamics Study2015
- Author(s)
  Y. Morikawa
- Organizer
  First International Symposium of Institute for Catalysis --Global Collaboration in Catalysis Science toward Sustainable Society
- Place of Presentation
  北海道大学触媒科学研究所(北海道札幌市）
- Year and Date
  2015-10-13
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 第一原理シミュレーションによる不均一触媒反応過程の研究2015
- Author(s)
  森川良忠
- Organizer
  シンポジウム「化学反応経路探索のニューフロンティア２０１５」
- Place of Presentation
  総合区民会館きゅりあん(東京都品川区)
- Year and Date
  2015-09-15
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First‐Principles Simulations of Initial Etching Process of SiC with Water Assisted by Platinum Catalyst2015
- Author(s)
  P. V. Bui, K. Inagaki, H. Kizaki, Y. Sano, K. Yamauchi and Y. Morikawa
- Organizer
  The International Conference on Silicon Carbide and Related Materials 2015
- Place of Presentation
  Giardini Naxos, Italy
- Year and Date
  2015-10-04
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K06505
[Presentation] 第一原理シミュレーションによる不均一触媒の研究2015
- Author(s)
  森川良忠
- Organizer
  物性研究所短期研究会　機能物性融合科学シリーズ(3) 「反応と輸送」
- Place of Presentation
  東京大学物性研究所 (千葉県・柏市)
- Year and Date
  2015-06-24
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Mechanistic Insight into CO2 Dissociation on Copper Surfaces2015
- Author(s)
  Fahdzi Muttaqien, Yuji Hamamoto, Hidetoshi Kizaki, Kouji Inagaki, Yoshitada Morikawa
- Organizer
  European Conference on Surface Science (ECOSS) 31
- Place of Presentation
  Barcelona, Spain
- Year and Date
  2015-08-31
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理シミュレーションによる固体表面および溶液中の反応シミュレーション2014
- Author(s)
  森川良忠
- Organizer
  第114回触媒討論会
- Place of Presentation
  広島大学（広島県広島市）
- Year and Date
  2014-09-26
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 第一原理シミュレーションによる固体表面および溶液中の反応シミュレーション2014
- Author(s)
  森川良忠
- Organizer
  第114回触媒討論会
- Place of Presentation
  広島大学（広島県東広島市）
- Year and Date
  2014-09-26
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 第一原理シミュレーションによる固体表面および溶液中の反応シミュレーション2014
- Author(s)
  森川良忠
- Organizer
  第114回触媒討論会
- Place of Presentation
  広島大学
- Year and Date
  2014-09-26
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Electronic Structure Calculations of Organic Materials using GW approximation and TDDFT2013
- Author(s)
  Yoshitada Morikawa
- Organizer
  The 7th edition of the international workshop on "Electronic Structure and Processes at Molecular-Based Interfaces
- Place of Presentation
  ワイズマン研究所
- Year and Date
  2013-04-28
- Invited
- Data Source
  KAKENHI-PROJECT-24221009
[Presentation] HラジカルによるSi表面プラズマェッチングにおける表面H拡散の役割2012
- Author(s)
  稲垣耕司, 森川良忠, 安武潔
- Organizer
  応用物理学会2012年度春季大会
- Place of Presentation
  東京都新宿区
- Year and Date
  2012-03-16
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] 第一原理計算による HF 水溶液のアニーリング2012
- Author(s)
  弘瀬大地,稲垣耕司,森川良忠
- Organizer
  日本物理学会第67回年次大会
- Place of Presentation
  関西学院大学
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] 第一原理計算によるHF水溶液のアニーリング2012
- Author(s)
  弘瀬大地, 稲垣耕司, 森川良忠
- Organizer
  日本物理学会第67回年次大会
- Place of Presentation
  兵庫県西宮市
- Year and Date
  2012-03-26
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] ナノチューブ/金界面での電子準位接続の制御によるnチャンネルの発現:第一原理的研究2012
- Author(s)
  西郷登洋, 柳澤将, 森川良忠
- Organizer
  第59回応用物理学関係連合講演会
- Place of Presentation
  早稲田大学早稲田キャンパス(東京都)
- Year and Date
  2012-03-17
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Pt触媒を用いた水分子によるGaN表面エッチング現象初期過程の第一原理計算による解明2012
- Author(s)
  大上まり, 稲垣耕司, 山内和人, 森川良忠
- Organizer
  応用物理学会2012年度春季大会
- Place of Presentation
  東京都新宿区
- Year and Date
  2012-03-17
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] First- Principles Simulations of Catalyst Assisted Wet-etching Processes at Semiconductor Surfaces2012
- Author(s)
  K. Inagaki,M. Oue,B.V. Pho,D. Hirose,K. Yamauchi , and Y. Morikawa
- Organizer
  Fifth International Symposium on Atomically Controlled Fabrication Technology
- Place of Presentation
  Osaka
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] 第一原理計算による GaN 表面エッチング現象初期過程の解明2012
- Author(s)
  大上まり、稲垣耕司、山内和人、森川良忠
- Organizer
  第73回応用物理学会学術講演会
- Place of Presentation
  愛媛大学・松山大学
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] Theoretical study of dipole layer formation at organic/metal interfaces2011
- Author(s)
  Y.Morikawa, K.Toyoda, I.Hamada, S.Yanagisawa
- Organizer
  The 6^<th> Japan-Sweden Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications
- Place of Presentation
  加賀温泉(石川県)
- Year and Date
  2011-11-25
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Role of the can der Waals interaction at organic/metal interfaces : energetics, adsorption geometry, and energy level alignment2011
- Author(s)
  S.Yanagisawa, T.Saigo, Y.Morikawa
- Organizer
  The 6^<th> Japan-Sweden Workshop on Advanced Spectroscopy of Organic Materials for Electronic Applications
- Place of Presentation
  加賀温泉(石川県)
- Year and Date
  2011-11-25
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] 第一原理計算によるGaN(0001)表面の終端原子構造の解析2011
- Author(s)
  大上まり, 稲垣耕司, 森川良忠
- Organizer
  日本物理学会2011年年次大会
- Place of Presentation
  新潟市
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション2011
- Author(s)
  井関信太郎, 稲垣耕司, 森川良忠
- Organizer
  日本物理学会2011年年次大会
- Place of Presentation
  新潟市
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] 界面反応の第一原理シミュレーション2011
- Author(s)
  森川良忠
- Organizer
  CMSI元素戦略WG「電池材料の部」実験計算連携検討会
- Place of Presentation
  東大本郷キャンパス(東京都)(招待講演)
- Year and Date
  2011-11-09
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] HによるSi表面エッチングにおけるH終端Si(001)表面上でのH拡散の寄与2011
- Author(s)
  稲垣耕司, 広瀬喜久治, 森川良忠, 安武潔
- Organizer
  日本物理学会2011年年次大会
- Place of Presentation
  新潟市
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] Theoretical Study of Dipole Layer Formation at Metal-Organic Interfaces2011
- Author(s)
  Y.Morikawa, K.Toyoda, I.Hamada, S.Yanagisawa
- Organizer
  38^<th> Conference on the Physics and Chemistry of Surfaces and Interfaces (PCSI-38)
- Place of Presentation
  San Diego, (USA)(Invited)
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Theoretical Study of Dipole Layer Formation at Metal-Organic Interfaces2011
- Author(s)
  森川良忠
- Organizer
  38th Conference on the Physics and Chemistry of Surfaces and Interfaces (PCSI-38)
- Place of Presentation
  サンディエゴ
- Year and Date
  2011-01-16
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Theoretical Investigation of Phthalocyanine Dimers2010
- Author(s)
  T. Yasuda, S. Yanagisawa, K. Manseki, S. Yanagida, Y. Morikawa
- Organizer
  International Conference on Core Research and Engineering Science of Advanced Materials
- Place of Presentation
  大阪大学コンベンションセンター
- Year and Date
  2010-06-01
- Data Source
  KAKENHI-PROJECT-20750150
[Presentation] カーボンアロイ触媒によるCO酸化反応の第一原理シミュレーション2010
- Author(s)
  井関信太郎、稲垣耕司、森川良忠
- Organizer
  第4回分子科学討論会2010大阪
- Place of Presentation
  大阪府豊中市
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] 第一原理シミュレーションによる有機/金属界面の界面電気二重層の解明と制御2010
- Author(s)
  森川良忠
- Organizer
  2010年電気化学秋季大会
- Place of Presentation
  神奈川工科大学(厚木市)(招待講演)
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] 有機半導体界面の電子状態:計算科学で分かること2010
- Author(s)
  森川良忠
- Organizer
  平成22年度飯綱・サイエンスサマー道場「有機半導体の科学」
- Place of Presentation
  飯綱高原ホテルアルカデイア(長野市)(招待講演)
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] First-Principles Study of CO Oxidation on Carbon Alloy Catalysts2010
- Author(s)
  S.Iseki, K.Inagaki, Y.Morikawa
- Organizer
  Third International Symposium on Atomically Controlled Fabrication Technology
- Place of Presentation
  Suita, Japan
- Year and Date
  2010-11-24
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] First-principles theoretical study of benzene/metal and pentacene/metal interfaces2010
- Author(s)
  Y.Morikawa
- Organizer
  The 5^<th> edition of the international workshop on"Electronic Structure and Processes at Molecular-Based Interfaces(ESPMI-V)"
- Place of Presentation
  千葉大学(千葉市)
- Year and Date
  2010-01-28
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] First-principles Analysis Silicon Etching by Hydrogen Radical-Diffusion of Absorbed Hydrogen Atom on Si(001)2x1 Surface-2010
- Author(s)
  K.Inagaki K.Hirose Y.Morikawa, K.Yasutake
- Organizer
  Third International Symposium on Atomically Controlled Fabrication Technology
- Place of Presentation
  Suita, Japan
- Year and Date
  2010-11-24
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] Theoretical Study of Dipole Layer Formation at Metal-Organic Interfaces2010
- Author(s)
  Y.Morikawa
- Organizer
  The WPI Advanced Institute for Materials Research(WPI-AIMR)Annual Workshop
- Place of Presentation
  仙台国際センター(仙台市)
- Year and Date
  2010-03-26
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] 周期セルを用いた電子状態計算の問題とその改善:永久多重極子を持つ系の計算2010
- Author(s)
  濱田幾太郎、大谷実、杉野修、森川良忠
- Organizer
  日本物理学会
- Place of Presentation
  岡山大学
- Year and Date
  2010-03-20
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-Principles study of electron transfer from 4H-SiC(0001) to Pt2010
- Author(s)
  S.Iseki, K.Inagaki, K.Yamauchi, Y.Morikawa
- Organizer
  International Conference on Core Research and Engineering Science of Advanced Materials
- Place of Presentation
  Osaka, Japan
- Data Source
  KAKENHI-PROJECT-22560110
[Presentation] Density-Functional Them Study of Hydrogen at the Water/Pt(111)Interface2009
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  2009 WPI-AIMR Annual Workshop
- Place of Presentation
  蔵王
- Year and Date
  2009-03-03
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理熱力学計算によるインテリジェント触媒の表面構造の解明2009
- Author(s)
  魚住昭文, 濱田幾太郎, 森川良忠, 柳瀬章, 吉田博
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Alq_3と金属表面の界面に関する理論的研究2009
- Author(s)
  柳澤将、森川良忠
- Organizer
  計算科学研究センター・ワークショップ2009「次世代理論化学の新展開と超並列計算への挑戦」
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2009-01-19
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 電極界面のナノスケールシミュレーション2009
- Author(s)
  森川良忠
- Organizer
  東大生研・研究所間交流ワークショップ
- Place of Presentation
  大阪大学
- Year and Date
  2009-02-04
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles molecular dynamics simulations of chemical reactions at electrode surfaces2009
- Author(s)
  Y. Morikawa
- Organizer
  Supercomputing in Solid State Physics 2009
- Place of Presentation
  東京大学物性研究所
- Year and Date
  2009-02-17
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles study of clean and hydrogen preadsorbed Rh(111)surfaces2009
- Author(s)
  Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  Horiba-ISSP International Symposium, Hydrogen and water in condensed matter physics
- Place of Presentation
  千葉県生命の森リゾート
- Year and Date
  2009-10-15
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 電子励起原子移動によるダイマーフラーレン形成2009
- Author(s)
  細谷直樹, 花岡大輔, 草部浩一, 森川良忠, 柳澤将, 吉田博
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-27
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Pt-グラフェン間の相互作用に対する欠陥や添加物の効果2009
- Author(s)
  岡崎一行, 森川良忠, 田中真悟, 香山正憲
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-28
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] STATE-Semによる最近の研究の進展2009
- Author(s)
  森川良忠
- Organizer
  特定領域「量子デザイン」A02班ミニワークショップ
- Place of Presentation
  大阪大学産業科学研究所
- Year and Date
  2009-01-16
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Theoretical study of interfacial dipoles at metal/organic interfaces2009
- Author(s)
  Y.Morikawa
- Organizer
  Workshop on Advanced Spectroscopy Organic Materials for Electronic Applications[ASOMEA]-V
- Place of Presentation
  Krusenberg Herrgard(スウェーデン)
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] 界面におけるナノスケールプロセスの第一原理シミュレーション2009
- Author(s)
  森川良忠
- Organizer
  針算科学研究センター・ワークションプ2009「次世代理論化学の新展開と超並列計算への挑戦」
- Place of Presentation
  自然科学研究機槽岡崎コンファレンスセンター
- Year and Date
  2009-01-21
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 界面におけるナノスケールプロセスの第一原理シュミュレーション2009
- Author(s)
  森川良忠
- Organizer
  計算科学研究センター・ワークショップ2009「次世代理論化学の新展開と超並列計算への挑戦」
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2009-01-21
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Theoretical investigation of the electronic structure of the A1q3/metal interfaces2009
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Organizer
  The International Symposium "Simulations and Dynamics for Nanoscale and Biological Systems"
- Place of Presentation
  Takeda Hall, The University of Tokyo
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] First principles study of clean and hydrogen preadsorbed Rh(111) surfaces2009
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  Horiba-ISSP International Symposium, Hydrogen and water in condensed matter physics
- Place of Presentation
  千葉県, 日本
- Year and Date
  2009-10-15
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 単分子水和反応の制御と可視化2009
- Author(s)
  熊谷崇, 海津政久, 八田振一郎, 奥山弘, 有賀哲也, 濱田幾太郎, 森川良忠
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-27
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理計算によるベンゼン/貴金属界面の界面双極子に関する理論的研究2009
- Author(s)
  豊田健治, 中野洋輔, 濱田幾太郎, Kyuho Lee, 柳澤将, 森川良忠
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] STATE-Senriによる最近の研究の進展2009
- Author(s)
  森川良忠
- Organizer
  特定領域「量子デザイン」A02班ワークショップ特定領域
- Place of Presentation
  大阪大学産業科学研究所
- Year and Date
  2009-01-16
- Data Source
  KAKENHI-PROJECT-17064007
[Presentation] STATE-Senriによる最近の研究の進展2009
- Author(s)
  森川良忠
- Organizer
  特定領域「量子デザイン」A02班ワークショップ
- Place of Presentation
  大阪大学産業科学研究所
- Year and Date
  2009-01-16
- Data Source
  KAKENHI-PROJECT-17064007
[Presentation] Rh(111)毒面に水素と共吸着した水の第一原理的研究2009
- Author(s)
  濱田幾太郎, 森川良忠
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Theoretical investigation of the electronic structure of the Alq_3/metal interfaces2009
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Organizer
  The 12th SANKEN International Symposium
- Place of Presentation
  大阪大学
- Year and Date
  2009-01-22
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Alq_3と金属表面の界面に関する理論的研究2009
- Author(s)
  柳澤将、森川良忠
- Organizer
  計算科学研究センター・ワークショップ2009「次世代理論化学の新展開と超並列計算への挑戦」
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター
- Year and Date
  2009-01-19
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Theoretical investigation of the electronic structure of the Alq_3/metal interfaces2009
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Organizer
  The International Symposium "Simulations and Dynamics for Nanoscale and Biological Systems"
- Place of Presentation
  Takeda Hall, The University of Tokyo
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 金属上への水吸着に対するファン・デル・ワールス力影響2009
- Author(s)
  濱田幾太郎、森川良忠
- Organizer
  日本物理学会
- Place of Presentation
  熊本大学
- Year and Date
  2009-09-25
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 第一原理計算によるベンゼン/貴金属界面の界面双極子に関する理論的研究2009
- Author(s)
  豊田健治, 中野洋輔, 濱田幾太郎, Kyuho Lee, 柳澤将, 森川良忠
- Organizer
  日本物理学会第64回年次大会
- Place of Presentation
  立教大学池袋キャンパス
- Year and Date
  2009-03-29
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles theoretical study of Alq_3 on Al and Mg surfaces2008
- Author(s)
  S. Yanagisawa, K. Lee, and Y. Morikawa
- Organizer
  International Conference on Quantum Simulators and Design 2008 (QSD2008)
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Cu(110)におけるアセチレンの環化反応2008
- Author(s)
  海津政久、八田振一郎、奥山弘、有賀哲也、濱田幾太郎、森川良忠
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-22
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] ベンゼン/金属、ペンタセン/金属界面における界面電気二重層の理論的研究2008
- Author(s)
  中野洋輔、濱田幾太郎、柳澤将、森川良忠
- Organizer
  第55回応用物理学関係連合講演会
- Place of Presentation
  日本大学理工学部船橋キャンパス
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] 第一原理熱力学計算によるインテリジェント触媒の自己再生機構の解明2008
- Author(s)
  魚住昭文、濱田幾太郎、森川良忠、柳瀬章、吉田博
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエアー国際交流センター, 大阪
- Year and Date
  2008-12-05
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First principles Simulations on Structure of the Water/Pt Interface under Negative Potential2008
- Author(s)
  M. Otani, I. Hamada, T. Ikeshoji, Y. Morikawa, Y. Okamoto, O. Sugino
- Organizer
  59th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Seville, Spain
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Alq_3と金属表面からなる界面の原子構造と電子状態の第一原理的研究2008
- Author(s)
  柳澤将、森川良忠
- Organizer
  平成20年度第一回特定領域「ナノリンクの電気伝導」領域会議
- Place of Presentation
  函館
- Year and Date
  2008-07-03
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] First-principles theoretical study of Alq3 on Al and Mg surfaces2008
- Author(s)
  S. Yanagisawa, K. Lee, and Y. Morikawa
- Organizer
  International Conference on Quantum Simulators and Design 2008 (QSD2008)
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Density-functional theoretical study of hydrogen on Pt(111)in an electrochemical environment2008
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  59th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Seville, Spain
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-Principles Study of Hydrogen on Pt(111)in an Electrochemical Condition2008
- Author(s)
  I.Hamada and Y.Morikawa
- Organizer
  11thSanken International Symposium, 6thNanotechnology Center International Symposimu, 1stMSTEC International Symposium
- Place of Presentation
  Awaji Yumebutai International Conference Center,Awaji,s Japan
- Year and Date
  2008-12-14
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] Alq_3とMg表面の界面における電気二重層に関する理論的研究2008
- Author(s)
  柳澤将、森川良忠
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエアー国際交流センター, 大阪
- Year and Date
  2008-12-06
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First principles simulations on structure of water/Pt interface under negative potential2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Organizer
  59th Annual meeting of the International Society of Electrochmistry
- Place of Presentation
  Seville, Spain
- Year and Date
  2008-09-08
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] Alq_3とMg表面の界面における電気二重層に関する理論的研究2008
- Author(s)
  柳澤将、森川良忠
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエア-国際交流センター, 大阪
- Year and Date
  2008-12-06
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] First-principles molecular dynamics simulation of H adsorption at the water/Pt(111)interface2008
- Author(s)
  Y. Morikawa, I. Hamada, T. Ikeshoji, Y. Okamoto, M. Otani, and O. Sugino
- Organizer
  59th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Seville, Spain
- Year and Date
  2008-09-09
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理電子状態計算による分子スイッチ機構の研究2008
- Author(s)
  實宝秀幸、名兜耶彰洋、濱田幾太郎、森川良忠
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエアー国際交流センター, 大阪
- Year and Date
  2008-12-05
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] First principles molecular dynamics simulation of water/Pt interface under negative potential2008
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Organizer
  Faraday Discussion
- Place of Presentation
  Southampton, United Kingdom
- Year and Date
  2008-07-07
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] Alq3/Mg界面及びC6H6/貴金属界面の界面双極子に関する第一原理的研究2008
- Author(s)
  柳澤将、豊田健治、中野洋輔、濱田幾太郎、Kyuho Lee、森川良忠
- Organizer
  有機EL討論会第7回例会
- Place of Presentation
  金沢市
- Year and Date
  2008-11-20
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces2008
- Author(s)
  Y. Morikawa, H. Jippou, A. Nagoya, I. Hamada
- Organizer
  The 4th edition of the international workshop on "Electronic Structure and Processes at Molecular-Based Interfaces" (ESPMI IV)
- Place of Presentation
  Princeton University, USA.
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理熱力学計算によるインテリジェント触媒の自己再生機構の解明2008
- Author(s)
  魚住昭文、濱田幾太郎、柳瀬章、森川良忠、吉田博
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-22
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Density functional theoretical study of hydrogen on Pt(111)in an electrochemical environment2008
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-05
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Density functional theoretical study of hydrogen on Pt(111) in an electochemical environment2008
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  International Conference on Quantum Simulators and Design 2008 (QSD2008)
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Alq3/Mg界面及びC6H6/貴金属界面の界面双極子に関する第一原理的研究2008
- Author(s)
  柳澤将、豊田健治、中野洋輔、濱田幾太郎、Kyuho Lee、森川良忠
- Organizer
  有機EL討論会第7回例会
- Place of Presentation
  金沢市文化ホール
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] First-principles study of hydhogen on Pt(111)in an electrochemical condition2008
- Author(s)
  I.Hamada and Y.Morikawa
- Organizer
  CREST Symposium on Theories and Shnulations fbr Charge Migration and Chemical Reactiolls at Nano-Scale Interfaces
- Place of Presentation
  Tsukuba International Congress Center(Epochal Tsukuba),Japan
- Year and Date
  2008-01-30
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 第一原理電子状態計算による分子スイッチ機構の研究2008
- Author(s)
  實宝秀幸、名兒耶彰洋、濱田幾太郎、森川良忠
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエアー国際交流センター, 大阪
- Year and Date
  2008-12-05
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Rh(111)表面に水素と共吸着した水の第一原理的研究2008
- Author(s)
  濱田幾太郎、森川良忠
- Organizer
  表面・界面スペクトロスコピー2008
- Place of Presentation
  ホテルコスモスクエアー国際交流センター, 大阪
- Year and Date
  2008-12-06
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles theoretical study of Alq^3/Al interfaces : Origin of the interfacial dipole2008
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Organizer
  The 1st International Conference of the Grand Challenge to Nekt-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles theoretical study of Alq_3/AI interfaces : Origin of the interfacial dipole2008
- Author(s)
  S. Yanagisawa, K. Lee, Y. Morikawa
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-06
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces2008
- Author(s)
  Y. Morikawa, H. Jippou, A. Nagoya, I. Hamada
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-05
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] ベンゼン/金属、ペンタセン/金属界面における界面電気二重層の理論的研究2008
- Author(s)
  中野洋輔, 濱田幾太郎, 柳澤将, 森川良忠
- Organizer
  応用物運学会2008年春季第55回応用物理学関係連合講演会
- Place of Presentation
  日本大学理工学部
- Year and Date
  2008-03-28
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles molecular dynamics simulation of H adsorption at the water/Pt(111)2008
- Author(s)
  Y. Morikawa, I. Hamada, T. Ikeshoji, Y. Okamoto, M. Otani, and O. Sugino
- Organizer
  Interface", 59th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Seville, Spain
- Year and Date
  2008-09-09
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理電子状態計算による分子スイッチ機構め研究2008
- Author(s)
  實宝秀幸、名兒耶彰洋、濱田幾太郎、森川良忠
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-Principles Simulations of Metal/organic Interfaces: Importance of Weak Interaction2008
- Author(s)
  Y, Morikawa (Invited)
- Organizer
  MRS Spring Meeting
- Place of Presentation
  San Francisco, U.S.A.
- Year and Date
  2008-03-24
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] Alq_3と金属表面からなる界面の原子構造と電子状態の第一原理的研究2008
- Author(s)
  柳澤将、森川良忠
- Organizer
  平成20年度第一回特定領域「ナノリンクの電気伝導」領域会議
- Place of Presentation
  函館
- Year and Date
  2008-07-03
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 第一原理電子状態計算による分子スイッチ機講の研究2008
- Author(s)
  實宝秀幸、名兜耶彰洋、濱田幾太郎、森川良忠
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-23
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Density functional theoretical study of hydrogen on Pt(111)in an ekectochemical environment2008
- Author(s)
  I. Hamada, Y. Morikawa
- Organizer
  International Conference on Quantum Simulators and Design 2008(QSD2008)
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-03
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles theoretical study of A1_<q3> on Al and Mg surfaces2008
- Author(s)
  S. Yanagisawa, K. Lee, and Y. Morikawa
- Organizer
  International Conference on Quantum Simulators and Design 2008(QSD2008)
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-02
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces2008
- Author(s)
  Y. Morikawa, H. Jippou, A. Nagoya, I. Hamada
- Organizer
  The 1st International Conference of the Grand Challenge to Next-Generation Integrated Nanoscience
- Place of Presentation
  日本科学未来館(東京)
- Year and Date
  2008-06-05
- Data Source
  KAKENHI-PROJECT-17069013
[Presentation] Electric Field Effect on the Atomic Geometries and Electronic Structures of Adsorbed Molecules on Metal Surfaces2008
- Author(s)
  Y. Morikawa, H. Jippou, A. Nagoya, I. Hamada
- Organizer
  The 4th edition of the international workshop on "Electronic Structure and Processes at Molecular-Based Interfaces"(ESPMI IV)
- Place of Presentation
  Princeton University, USA
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 単分子異性化反応のトンネルダイナミクス2008
- Author(s)
  熊谷崇、海津政久、八田振一郎、奥山弘、有賀哲也、濱田幾太郎、森川良忠
- Organizer
  日本物理学会2008年秋季大会
- Place of Presentation
  岩手大学
- Year and Date
  2008-09-21
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles simulations for chemical reactions at interfaces2008
- Author(s)
  Y.Morikawa
- Organizer
  Handai Nanoscience and Nanotechnology Intemational Symposium, -Spin, Photonic, and Molecular Devides in Quantum Limit
- Place of Presentation
  大阪大学
- Year and Date
  2008-09-27
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 有機/金属界面の第一原理シミュレーション2008
- Author(s)
  森川良忠
- Organizer
  故関一彦先生追悼シンポジウム
- Place of Presentation
  名古屋大学
- Year and Date
  2008-12-18
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] First principles simulations of electrochemical reactions at the water/Pt(111)interface2007
- Author(s)
  L.Hamada, M.Otani, YMorikawa, O.Sugino, 他2名
- Organizer
  58th Annual Meeting of the Intemational Society of Electrochemistry
- Place of Presentation
  Banff,Canada
- Year and Date
  2007-09-11
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] Theoretical analysis of hydrogen on Pt(111): effect of coverage and an electric field2007
- Author(s)
  I. Hadam, Y. Morikawa
- Organizer
  International Conference of Electrified Interfaces 2007
- Place of Presentation
  北海道, 日本
- Year and Date
  2007-06-25
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-Principles simulation of biased metal/water interface with a hydrated proton2007
- Author(s)
  M. Otani, I. Hamada, O. Sugino, Y. Morikawa, Y. Okamoto, T. Ikeshoji
- Organizer
  58th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Banff, Canada
- Year and Date
  2007-09-11
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-Principles molecular dynamics simUlation of chemical reactions of electrode surface2007
- Author(s)
  Y.Morikawa
- Organizer
  Joint Symposium on Fundamental Aspects of Nanostructured Materials and Electrocatalysis
- Place of Presentation
  Hokkaido University,Hokkaido,Japan
- Year and Date
  2007-06-22
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-principles description of electroxhemical reactions at water/Pt(111)interface2007
- Author(s)
  M.Otani, I.Hamada, O.Sugino, Y.Morikawa, 他2名
- Organizer
  ISSp International Workshop and Symposium on""Foundation and Apphcations of the Density Functional Theory"
- Place of Presentation
  東京大学
- Year and Date
  2007-08-01
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-Principles Simulations of Chemical Reactions at Surfaces and Interfaces2007
- Author(s)
  Y.Morikawa, I.Hamada, S。Yanagisawa, 他9名
- Organizer
  9thDe La Salle University-Osaka University AcadeInic research Workshop & Symposium
- Place of Presentation
  De La Salle University,Manila,PhilipPines
- Year and Date
  2007-08-07
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 第一原電子状態理論による有機子/金属における界面電気二重層の研究2007
- Author(s)
  中野洋輔, 柳澤将, 濱田幾太郎, 森川良忠
- Organizer
  日本物理学会第62回年次大会
- Place of Presentation
  北海道大学
- Year and Date
  2007-09-21
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] First-principles theoretical study of Alga on Al and Mg surfaces2007
- Author(s)
  S., Yanagisawa・K., Lee・Y., Morikawa
- Organizer
  The 10th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  Hiroshima Univ.
- Year and Date
  2007-10-30
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] Theoretical analysis of hydrogen on Pt(111):effect of coverage and an electric field2007
- Author(s)
  I.Hamada and Y.Morikawa
- Organizer
  International Conference of Electrified Interfaces2007
- Place of Presentation
  Sahoro,Eokkaido,Japan
- Year and Date
  2007-06-25
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First principles simulations of electrochemical reactions at the water/Pt(111)interface2007
- Author(s)
  I.Hamada, M.Otani, YMorikawa, O.Sugino, 他2名
- Organizer
  International Confeerence of Electrified Interfaces2007
- Place of Presentation
  Sahoro,Hokkaido,Japan
- Year and Date
  2007-06-27
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] 第一原理電子状態理論による有機分子/金属における界面電気二重層の研究2007
- Author(s)
  中野洋輔、濱田幾太郎、柳澤将、森川良忠
- Organizer
  日本物理学会第62回年次大会
- Place of Presentation
  北海道大学
- Year and Date
  2007-09-21
- Data Source
  KAKENHI-PLANNED-19054013
[Presentation] First-Principles simulation of biased metaYwater interface with a hydrated proton2007
- Author(s)
  M.Otani, l.Hamada, O.Sugino, Y.Morikawa, 他2名
- Organizer
  58th Annual Meeting of the International Society of Electrochemistry
- Place of Presentation
  Banff,Canada
- Year and Date
  2007-09-11
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] First-principles molecular dynamics simulations of electrochemical reactions at the water/Pt(111) interface2007
- Author(s)
  I., Hamada・M., Otani・Y., Morikawa・O., Sugino・Y., Okamoto・T., Ikeshoji
- Organizer
  The 10th Asian Workshop on First-Principles Electronic Structure Calculations
- Place of Presentation
  Hiroshima Univ.
- Year and Date
  2007-10-29
- Data Source
  KAKENHI-PROJECT-17064009
[Presentation] 白金表面における水素の第一原理的研究:被服率、電場および溶媒効果2007
- Author(s)
  濱田幾太郎、森川良忠
- Organizer
  日本物理学会第62回年次大会
- Place of Presentation
  北海道大学
- Year and Date
  2007-09-21
- Data Source
  KAKENHI-PROJECT-19340077
[Presentation] Theoretical Investigation on the Electronic Structure of the Alq□/Al Interfaces2005
- Author(s)
  S.Yanagisawa, Y.Morikawa
- Organizer
  Psi-k2005 conference
- Place of Presentation
  Germany
- Data Source
  KAKENHI-PROJECT-17064005
[Presentation] First-Principles Theoretical Study of Alq□/metal Interfaces2005
- Author(s)
  Y.Morikawa
- Organizer
  Advanced Spectroscopy of Organic Materials for Electronic Applications(ASOMEAIII)
- Place of Presentation
  Sweeden
- Data Source
  KAKENHI-PROJECT-17064005
[Presentation] Cu(111)面におけるギ酸分解反応の第一原理計算
- Author(s)
  鳥井　史郎、Fahdzi　Muttaqien、濱本　雄治、木崎　栄年、稲垣　耕司、森川　良忠
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  日本大学理工学部船橋キャンパス (千葉県船橋市)
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] BCPの電子状態に関する理論的研究
- Author(s)
  柳澤　将、畑田真之介、森川良忠、吉田弘幸
- Organizer
  第62回応用物理学会春季学術講演会
- Place of Presentation
  東海大学湘南キャンパス
- Year and Date
  2015-03-11 – 2015-03-14
- Data Source
  KAKENHI-PROJECT-26810009
[Presentation] 固体表面での触媒反応の第一原理シミュレーション
- Author(s)
  森川良忠
- Organizer
  筑波大学数理物質融合科学センター(CiRfSE)ワークショップ
- Place of Presentation
  筑波大学 (茨城県つくば市)
- Year and Date
  2015-03-12 – 2015-03-13
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-principles Investigation of Self-regenerating Mechanism of LaFe1-xPdxO3
- Author(s)
  Y. Morikawa, H. Kizaki, S. Yanagisawa, I. Hamada, K. Inagaki, and Z.-X. Tian
- Organizer
  Symposium & Workshop Nanotechnology & Biotechnology, Computational Material Design (CMD) & Bio-Informatika
- Place of Presentation
  Bandung,（Indonesia）
- Year and Date
  2014-11-12 – 2014-11-14
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Dissociative Adsorption of CO2 on Copper Surfaces
- Author(s)
  F. Muttaqien, Y. Hamada, K. Inagaki and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue (島根県松江市)
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Complex Insight Into CO2 Dissociation on Copper Surfaces: Cu-O-Cu chain formation and H2O effects
- Author(s)
  Fahdzi Muttaqien，Yuji Hamamoto，Hidetoshi Kizaki，Kouji Inagaki，and Yoshitada Morikawa
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学
- Year and Date
  2015-03-21 – 2015-03-24
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Cu(111)面におけるギ酸分解反応の第一原理計算
- Author(s)
  鳥井　史郎、Fahdzi　Muttaqien、濱本　雄治、木崎　栄年、稲垣　耕司、森川　良忠
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  日大理工船橋キャンパス
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principlesSimulations of an H2O Dissociation and Hydroxyl Adsorption in water-bilayer on Pt(322) surface
- Author(s)
  H. Kizaki, I. Hamada and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 水溶液中での鈴木―宮浦クロスカップリング反応の律速段階の解明
- Author(s)
  平川皓朗、浦元雄太、武田篤哉、三村大輔、池田大輔、柳澤将、稲垣浩司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学 (愛知県春日井市)
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着
- Author(s)
  金森仁美、平川皓朗、杉山将啓、稲垣浩司、木﨑栄年、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理計算によるグラフェン担持Ptクラスター上の分子吸着構造の研究
- Author(s)
  濱本雄治，Jess Wellendorf，Felix Studt，Fahdzi Muttaqien，稲垣耕司，Thomas Bligaard，森川良忠
- Organizer
  日本物理学会第70回年次大会
- Place of Presentation
  早稲田大学
- Year and Date
  2015-03-21 – 2015-03-24
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] OH adsorptions and water dissociation in water-bilayer on Pt(322) stepped surface: Ab-initio simulations
- Author(s)
  H. Kizaki, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  8th International Conference on Environmental Catalysis
- Place of Presentation
  Asheville, North Carolina in USA
- Year and Date
  2014-08-24 – 2014-08-27
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 固体表面での触媒反応の第一原理シミュレーション
- Author(s)
  森川良忠
- Organizer
  筑波大学数理物質融合科学センター(CiRfSE)ワークショップ
- Place of Presentation
  筑波大学
- Year and Date
  2015-03-12 – 2015-03-13
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理シミュレーションと統計力学的手法を組み合わせた触媒反応解析
- Author(s)
  森川良忠
- Organizer
  スーパーコンピュータワークショップ2015
- Place of Presentation
  自然科学研究機構岡崎コンファレンスセンター(愛知県岡崎市)
- Year and Date
  2015-01-29 – 2015-01-30
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] Dissociative Adsorption of CO2 on Copper Surfaces
- Author(s)
  F. Muttaqien, Y. Hamada, K. Inagaki and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 電子状態計算によるリガンドフリーの鈴木―宮浦クロスカップリングの律速段階
- Author(s)
  平川皓朗、浦元雄太、武田篤哉、三村大輔、池田隆司、柳澤将、稲垣浩司、森川良忠
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島大学
- Year and Date
  2014-09-22 – 2014-09-24
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] Oxidative addition Reactions of Suzuki-Miyaura Cross Coupling with Ligand-free Pd in aqueous solution
- Author(s)
  T. Hirakawa, Y. Uramoto, A. Takeda, D. Mimura, T. Ikeda, S. Yanagisawa, K. Inagaki and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理シミュレーションと統計力学的手法を組み合わせた触媒反応解析
- Author(s)
  森川良忠
- Organizer
  スーパーコンピュータワークショップ2015
- Place of Presentation
  分子科学研究所 (愛知県岡崎市)
- Year and Date
  2015-01-29 – 2015-01-30
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Cu(111)面におけるHCOOH分解の第一原理計算
- Author(s)
  鳥井史郎、Fahdzi Muttaqien、濱本雄治、稲垣浩司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学 (愛知県春日井市)
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Cu(111)面におけるHCOOH分解の第一原理計算
- Author(s)
  鳥井史郎、Fahdzi Muttaqien、濱本雄治、稲垣浩司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理計算によるキラル有機分子材料の電子的・光学的性質の解明
- Author(s)
  畑田真之介、柳澤将、桑原裕司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principles Investigation of Self-regenerating Mechanism of LaFe1-xPdxO3
- Author(s)
  Y. Morikawa, H. Kizaki, S. Yanagisawa, I. Hamada, K. Inagaki, and Z.-X. Tian
- Organizer
  Symposium & Workshop Nanotechnology & Biotechnology, Computational Material Design (CMD) & Bio-Informatika
- Place of Presentation
  ITB Bandung, Indonesia
- Year and Date
  2014-11-12 – 2014-11-14
- Invited
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 水溶液中での鈴木―宮浦クロスカップリング反応の律速段階の解明
- Author(s)
  平川皓朗、浦元雄太、武田篤哉、三村大輔、池田大輔、柳澤将、稲垣浩司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着反応の経路探索
- Author(s)
  金森仁美、森川良忠、稲垣耕司、木﨑英年、濱本雄治
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  日本大学理工学部船橋キャンパス (千葉県船橋市)
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] Oxidative addition Reactions of Suzuki-Miyaura Cross Coupling with Ligand-free Pd in aqueous solution
- Author(s)
  T. Hirakawa, Y. Uramoto, A. Takeda, D. Mimura, T. Ikeda, S. Yanagisawa, K. Inagaki and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue (島根県松江市)
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 固体表面での触媒反応の第一原理シミュレーション
- Author(s)
  森川良忠
- Organizer
  筑波大学数理物質融合科学センター(CiRfSE)ワークショップ
- Place of Presentation
  筑波大学（茨城県つくば市）
- Year and Date
  2015-03-12 – 2015-03-13
- Invited
- Data Source
  KAKENHI-ORGANIZER-26105001
[Presentation] 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着反応の経路探索
- Author(s)
  金森仁美、森川良忠、稲垣耕司、木﨑英年、濱本雄治
- Organizer
  日本化学会第95春季年会
- Place of Presentation
  日大理工船橋キャンパス
- Year and Date
  2015-03-26 – 2015-03-29
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] クラスター展開法を利用した自動車触媒LaFe1-xPdxO3に関する理論的研究
- Author(s)
  西谷卓也、田之雪、木﨑栄年、稲垣耕司、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] メタダイナミクス法による鈴木―宮浦クロスカップリング反応の解析
- Author(s)
  平川皓朗、三村大輔、武田篤哉、、稲垣浩司、柳澤将、池田隆司、森川良忠
- Organizer
  第114回触媒討論会
- Place of Presentation
  広島大学（広島県東広島市）
- Year and Date
  2014-09-25 – 2014-09-27
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] First-principles Investigation of Self-regenerating Mechanism of LaFe1-xPdxO3
- Author(s)
  Y. Morikawa, H. Kizaki, S. Yanagisawa, I. Hamada, K. Inagaki, and Z.-X. Tian
- Organizer
  Symposium & Workshop Nanotechnology & Biotechnology, Computational Material Design (CMD) & Bio-Informatika, Bandung, Indonesia
- Place of Presentation
  ITB Bandung, Indonesia
- Year and Date
  2014-11-12 – 2014-11-14
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 電子状態計算によるリガンドフリーの鈴木―宮浦クロスカップリングの律速段階
- Author(s)
  平川皓朗、浦元雄太、武田篤哉、三村大輔、池田隆司、柳澤将、稲垣浩司、森川良忠
- Organizer
  第8回分子科学討論会
- Place of Presentation
  広島大学（広島県東広島市）
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] 第一原理シミュレーションと統計力学的手法を組み合わせた触媒反応解析
- Author(s)
  森川良忠
- Organizer
  スーパーコンピュータワークショップ2015
- Place of Presentation
  分子科学研究所
- Year and Date
  2015-01-29 – 2015-01-30
- Invited
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] First-principlesSimulations of an H2O Dissociation and Hydroxyl Adsorption in water-bilayer on Pt(322) surface
- Author(s)
  H. Kizaki, I. Hamada and Y. Morikawa
- Organizer
  The 7th International Symposium on Surface Science (ISSS-7)
- Place of Presentation
  Matsue (島根県松江市)
- Year and Date
  2014-11-03 – 2014-11-06
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] OH adsorptions and water dissociation in water-bilayer on Pt(322) stepped surface: Ab-initio simulations
- Author(s)
  H. Kizaki, Kouji Inagaki, Ikutaro Hamada, Yoshitada Morikawa
- Organizer
  8th International Conference on Environmental Catalysis
- Place of Presentation
  Asheville, North Carolina in USA
- Year and Date
  2014-08-24 – 2014-08-27
- Data Source
  KAKENHI-PLANNED-26105010
[Presentation] 第一原理Metadynamics法を用いたフッ酸/Si(111)界面でのHFの解離吸着
- Author(s)
  金森仁美、平川皓朗、杉山将啓、稲垣浩司、木﨑栄年、森川良忠
- Organizer
  日本物理学会2014秋季大会
- Place of Presentation
  中部大学 (愛知県春日井市)
- Year and Date
  2014-09-07 – 2014-09-10
- Data Source
  KAKENHI-PROJECT-26410014
[Presentation] メタダイナミクス法による鈴木―宮浦クロスカップリング反応の解析
- Author(s)
  平川皓朗、三村大輔、武田篤哉、、稲垣浩司、柳澤将、池田隆司、森川良忠
- Organizer
  第114回触媒討論会
- Place of Presentation
  広島大学
- Year and Date
  2014-09-25 – 2014-09-27
- Data Source
  KAKENHI-PLANNED-26105010

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MORIKAWA Yoshitada 森川 良忠

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多階層連結計算とオペランド計測による界面反応デジタルツインの構築と応用Principal Investigator

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Dynamical Theory for Heterogeneous Catalysts using Multi-scale Quantum SimulationsPrincipal Investigator

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First-principles Theoretical Elucidation and Design of Active Sites in Functional MaterialsPrincipal Investigator

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First-principles simulations of chemical reactions using meta-dynamics schemePrincipal Investigator

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MORIKAWA Yoshitada 森川良忠