KUWABARA Akihide 桑原彰秀

… Alternative Names

桑原彰秀クワバラアキヒデ

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Researcher Number	30378799
Other IDs
Affiliation (Current)	2023: 一般財団法人ファインセラミックスセンター, その他部局等, 主席研究員
Affiliation (based on the past Project Information) *help	2021 – 2022: 一般財団法人ファインセラミックスセンター, その他部局等, 主席研究員 2016 – 2020: 一般財団法人ファインセラミックスセンター, その他部局等, 主任研究員 2015 – 2017: 一般財団法人ファインセラミックスセンター, ナノ構造研究所, 主任研究員 2012 – 2013: 一般財団法人ファインセラミックスセンター, その他部局等, 研究員 2011: (財)ファインセラミックスセンター, その他部局等, 研究員 2005 – 2006: 京都大学, 工学研究科, 助手
Review Section/Research Field	Principal Investigator Science and Engineering / Physical properties of metals / Inorganic materials/Physical properties / Transformative Research Areas, Section (II) Except Principal Investigator Science and Engineering / Physical properties of metals / Physical properties of metals/Metal-base materials / Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related / Basic Section 26020:Inorganic materials and properties-related / Transformative Research Areas, Section (II)
Keywords	Principal Investigator 第一原理計算 / 固体酸化物燃料電池 / 点欠陥 / 拡散 / 界面 / プロトン伝導体 / 固体イオニクス / 形成エネルギー / 電子状態 / 固体電解質 … More / ペロブスカイト構造 / 欠陥平衡 / イオン伝導体 / プロトン / 酸化物 / 分子動力学計算 / 酸化物イオン / 固溶体 / セラミック材料 / 分子ユニット / 材料インフォマティクス / 表面構造 … More Except Principal Investigator セラミックス / 第一原理計算 / 構造・機能材料 / 拡散 / 無機工業化学 / 計算状態図 / 熱力学 / 相転移 / 状態図計算 / 比熱 / 固溶体 / 薄膜 / ceramics / phase diagram calculation / first-principles calculation / thermodynamics / phase transition / プロトン伝導性酸化物 / プロトントラップ / 電気化学 / 局所構造 / 格子欠陥 / 機能性酸化物 / 複合アニオン化合物 / 構造解析 / ヒドリドイオン / 高速イオン伝導 / 配位多面体幾何 / 放射光X線分光 / 複合アニオン / 回折法 / 電子顕微鏡 / Ｘ線吸収分光 / 核磁気共鳴 / 理論計算 / 高圧合成 / 複合アニオ / 解析・評価 / 核磁気共鳴法 / 結晶化学 / 低次元物質 / その場計測 / 混合アニオン / 表面・界面物性 / ナノ材料 / 工業 / ナノ / 酸化アルミニウム / 粒界 / 酸化チタン / 生体活性 / 帯電 / 保護膜 / 酸化 / ヒドリドイオン導電体 / 酸水素化物 / 固体イオニクス / ヒドリド導電体 / 固体電解質 / 無機固体化学 / Antiperovskites / Ionic conductivity / High pressure / 超セラミックス / 分子イオン / 無機材料 / 錯体 / マテリアルズ・インフォマティクス Less

Unravelling the structural rules of antiperovskites and their derivatives
- Principal Investigator
  
  タッセルセドリック
- Project Period (FY)
  2022 – 2026
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 26020:Inorganic materials and properties-related
- Research Institution
  Kyoto University
Supra-ceramics: Molecule-driven Frontier of Inorganic Materials
- Principal Investigator
  
  前田和彦
- Project Period (FY)
  2022 – 2026
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Tokyo Institute of Technology
Computational Science of Designing and Elucidating the Functions of Supra-ceramicsPrincipal Investigator
- Principal Investigator
  
  桑原彰秀
- Project Period (FY)
  2022 – 2026
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Japan Fine Ceramics Center
Study on H- conductors ~Development of material design guidelines for low -temperature operation~
- Principal Investigator
  
  小林玄器
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 36010:Inorganic compounds and inorganic materials chemistry-related
- Research Institution
  Institute for Molecular Science
Understanding of Mixed Anion Compounds: Analyses of Chemical, Structural and Electronic States
- Principal Investigator
  
  Hayashi Katsuro
- Project Period (FY)
  2016 – 2020
- Research Category
  
  Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
- Review Section
  
  Science and Engineering
- Research Institution
  Kyushu University
Theoretical investigation on defect structure and ion dynamics in solid electrolytesPrincipal Investigator
- Principal Investigator
  
  Kuwabara Akihide
- Project Period (FY)
  2016 – 2018
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Research Field
  
  Inorganic materials/Physical properties
- Research Institution
  Japan Fine Ceramics Center
Development of proton-conducting oxides based on proton trapping
- Principal Investigator
  
  Yamazaki Yoshihiro
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical properties of metals/Metal-base materials
- Research Institution
  Kyushu University
Nanostructure control and creation of environmental barrier ceramic materials
- Principal Investigator
  
  Kitaoka Satoshi
- 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
  Japan Fine Ceramics Center
Computational research of ionic conductance mechanism in bulk and interfaces of proton conductive oxidesPrincipal Investigator
- Principal Investigator
  
  KUWABARA Akihide
- Project Period (FY)
  2011 – 2013
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical properties of metals
- Research Institution
  Japan Fine Ceramics Center
First-principles thermodynamical calculations and experimental confirmation of the phase diagrams of ceramic systems
- Principal Investigator
  
  TANAKA Isao
- Project Period (FY)
  2006 – 2007
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Research Field
  
  Physical properties of metals
- Research Institution
  Kyoto University
イオニクス材料における反応素過程の量子力学シミュレーションと材料設計Principal Investigator
- Principal Investigator
  
  OBA Fumiyasu, 桑原彰秀
- Project Period (FY)
  2005 – 2006
- Research Category
  
  Grant-in-Aid for Scientific Research on Priority Areas
- Review Section
  
  Science and Engineering
- Research Institution
  Kyoto University

All 2021 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2008 2007 2006 Other

All Journal Article Presentation

[Journal Article] Anion ordering enables fast H- conduction at low temperatures2021
- Author(s)
  Ubukata Hiroki、Takeiri Fumitaka、Shitara Kazuki、Tassel Cedric、Saito Takashi、Kamiyama Takashi、Broux Thibault、Kuwabara Akihide、Kobayashi Genki、Kageyama Hiroshi
- Journal Title
  
  Science Advances
  
  Volume: 7
- DOI
  10.1126/sciadv.abf7883
- NAID
  120007041649
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PROJECT-20H02828, KAKENHI-PROJECT-20J23793
[Journal Article] Ionic conduction mechanism in Ca-doped Lanthanum Oxychloride2021
- Author(s)
  Kazuki Shitara, Akihide Kuwabara, Keisuke Hibino, Kotaro Fujii, Masatomo Yashima, James R. Hester, Masanori Umeda, Naoyoshi Nunotani, Nobuhito Imanaka
- Journal Title
  
  Dalton Transactions
  
  Volume: 50 Pages: 151-156
- DOI
  10.1039/d0dt02502j
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440, KAKENHI-PLANNED-16H06441, KAKENHI-PROJECT-19H00821, KAKENHI-PROJECT-20K20293, KAKENHI-PUBLICLY-19H04698
[Journal Article] Hydride-based antiperovskites with soft anionic sublattices as fast alkali ionic conductors2021
- Author(s)
  Shenghan Gao, Thibault Broux, Susumu Fujii, Cedric Tassel, Kentaro Yamamoto, Yao Xiao, Itaru Oikawa, Hitoshi Takamura, Hiroki Ubukata, Yuki Watanabe, Kotaro Fujii, Masatomo Yashima, Akihide Kuwabara, Yoshiharu Uchimoto, Hiroshi Kageyama
- Journal Title
  
  Nature Communications
  
  Volume: 12 Pages: 1-10
- DOI
  10.1038/s41467-020-20370-2
- NAID
  120006954090
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-16H06440, KAKENHI-PROJECT-18H03832, KAKENHI-PROJECT-19H00821, KAKENHI-PROJECT-20K20293, KAKENHI-PLANNED-16H06439, KAKENHI-PROJECT-20J23793
[Journal Article] First-Principles Calculations of Point Defect Formation and Anion Diffusion Mechanism in Oxyhydride Ba2ScHO32020
- Author(s)
  Akihide Kuwabara, Fumitake Takeiri, Haq Nawaz, Genki Kobayashi
- Journal Title
  
  ChemRxiv
  
  Volume: -
- DOI
  10.26434/chemrxiv.12121254.v1
- Open Access
- Data Source
  KAKENHI-PROJECT-20H02828
[Journal Article] Chemical Pressure-Induced Anion Order?Disorder Transition in LnHO Enabled by Hydride Size Flexibility2020
- Author(s)
  Hiroki Yamashita, Thibault Broux, Yoji Kobayashi, Fumitaka Takeiri, Hiroki Ubukata, Tong Zhu, Michael A. Hayward, Kotaro Fujii, Masatomo Yashima, Kazuki Shitara, Akihide Kuwabara, Taito Murakami, Hiroshi Kageyama
- Journal Title
  
  J. Am. Chem. Soc
  
  Volume: 140 Pages: 11170-11173
- DOI
  10.1021/jacs.8b06187
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440, KAKENHI-PROJECT-15H02291, KAKENHI-PROJECT-17F17341, KAKENHI-PROJECT-17J09112, KAKENHI-PROJECT-20K20293, KAKENHI-PLANNED-16H06439
[Journal Article] Responsive Four-Coordinate Iron(II) Nodes in FePd(CN)42020
- Author(s)
  Ohtani Ryo、Matsunari Hiromu、Yamamoto Takafumi、Kimoto Koji、Isobe Masaaki、Fujii Kotaro、Yashima Masatomo、Fujii Susumu、Kuwabara Akihide、Hijikata Yuh、Noro Shin‐ichiro、Ohba Masaaki、Kageyama Hiroshi、Hayami Shinya
- Journal Title
  
  Angewandte Chemie, International Edition
  
  Volume: 59 Pages: 19254-19259
- DOI
  10.1002/anie.202008187
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-19K03755, KAKENHI-PROJECT-18H01997, KAKENHI-PLANNED-16H06440, KAKENHI-PUBLICLY-19H04701, KAKENHI-PROJECT-19H00821, KAKENHI-PROJECT-20H02624, KAKENHI-PROJECT-20K20293, KAKENHI-PROJECT-18K14245, KAKENHI-PLANNED-16H06519
[Journal Article] Arrangement of water molecules and high proton conductivity of tunnel structure phosphates, KMg1-xH2x(PO3)3 yH2O2020
- Author(s)
  Y. Matsuda, K. Funakoshi, R. Sebe, G. Kobayashi, M. Yonemura, N. Imanishi, D. Mori, S. Higashimoto
- Journal Title
  
  Chemical Communications
  
  Volume: 10 Pages: 10373-10376
- DOI
  10.1039/d0ra00690d
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H06145, KAKENHI-PROJECT-20K05673, KAKENHI-PROJECT-20H02828, KAKENHI-PLANNED-18H05516
[Journal Article] Ba2ScHO3: H Conductive Layered Oxyhydride with H Site Selectivity2019
- Author(s)
  Takeiri Fumitaka、Watanabe Akihiro、Kuwabara Akihide、Nawaz Haq、Ayu Nur Ika Puji、Yonemura Masao、Kanno Ryoji、Kobayashi Genki*
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 58 Pages: 4431-4436
- DOI
  10.1021/acs.inorgchem.8b03593
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PUBLICLY-17H05492, KAKENHI-PLANNED-18H05516, KAKENHI-PROJECT-17H06145, KAKENHI-PLANNED-16H06440
[Journal Article] Selective Hydride Occupation in BaVO3-xHx (0.3 < x < 0.8) with Face- and Corner-Shared Octahedra2019
- Author(s)
 Yamamoto Takafumi、Shitara Kazuki、Kitagawa Shunsaku、Kuwabara Akihide、Kuroe Masahiro、Ishida Kenji、Ochi Masayuki、Kuroki Kazuhiko、Fujii Kotaro、Yashima Masatomo、Brown Craig M.、Takatsu Hiroshi、Tassel Cedric、Kageyama Hiroshi
- Journal Title
 
 Chemistry of Materials
 
 Volume: 30 Pages: 1566-1574
- DOI
 10.1021/acs.chemmater.7b04571
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
 KAKENHI-INTERNATIONAL-16K21724, KAKENHI-ORGANIZER-16H06438, KAKENHI-PLANNED-16H06440, KAKENHI-PUBLICLY-17H05481, KAKENHI-PROJECT-15H02291, KAKENHI-PROJECT-16H06033, KAKENHI-PLANNED-16H06439, KAKENHI-PROJECT-20K20293
[Journal Article] Exploring a potential energy surface by machine learning for characterizing atomic transport2018
- Author(s)
  Kanamori Kenta、Toyoura Kazuaki、Honda Junya、Hattori Kazuki、Seko Atsuto、Karasuyama Masayuki、Shitara Kazuki、Shiga Motoki、Kuwabara Akihide、Takeuchi Ichiro
- Journal Title
  
  Physical Review B
  
  Volume: 97 Pages: 125124-125124
- DOI
  10.1103/physrevb.97.125124
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-16H00736, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-17H00758, KAKENHI-PROJECT-16H02866, KAKENHI-PROJECT-17H04694, KAKENHI-PROJECT-17H04948
[Journal Article] High Rate Performance of Dual-Substituted LiFePO4 Based on Controlling Metastable Intermediate Phase2018
- Author(s)
  Takahiro Yoshinari, Kentaro Yamamoto, Motoaki Nishijima, Katsutoshi Fukuda, Akihide Kuwabara, Isao Tanaka, Kazuhiko Maeda, Hiroshi Kageyama, Yuki Orikasa, and Yoshiharu Uchimoto
- Journal Title
  
  ACS Appl. Energy Mater.
  
  Volume: 1 Pages: 6736-6740
- DOI
  10.1021/acsaem.8b01603
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PLANNED-16H06440, KAKENHI-PLANNED-16H06441
[Journal Article] 複合アニオン化合物における安定な欠陥配位構造の第一原理計算2017
- Author(s)
  桑原彰秀、設樂一希
- Journal Title
  
  セラミックス
  
  Volume: 52 Pages: 844-847
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-16H06440
[Journal Article] On Hydride Diffusion in Transition Metal Perovskite Oxyhydrides Investigated via Deuterium Exchange2017
- Author(s)
  Ya Tang, Yoji Kobayashi*, Kazuki Shitara, Ayako Konishi, Akihide Kuwabara, Takahide Nakashima, Cedric Tassel, Takafumi Yamamoto, and Hiroshi Kageyama*
- Journal Title
  
  Chemistry of Materials
  
  Volume: 29 Pages: 8187-8194
- DOI
  10.1021/acs.chemmater.7b02240
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PLANNED-16H06440
[Journal Article] Lattice dynamics and ferroelectric properties of the nitride perovskite LaWN32017
- Author(s)
  Y.-W. Fang, C.A.J. Fisher, A. Kuwabara, X.-W. Shen, T. Ogawa, H. Moriwake, R. Huang and C.-G. Duan
- Journal Title
  
  Physical Review B
  
  Volume: 95 Pages: 014111-014111
- DOI
  10.1103/physrevb.95.014111
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-15K18218
[Journal Article] Crystal and Electronic Structure Changes during the Charge-Discharge Process of Na4Co3(PO4)2P2O72016
- Author(s)
  H. Moriwake, A. Kuwabara, C.A.J. Fisher, M. Nose, H. Nakayama, S. Nakanishi, H. Iba and Y. Ikuhara
- Journal Title
  
  J. Power Sources
  
  Volume: 326 Pages: 220-225
- DOI
  10.1016/j.jpowsour.2016.07.006
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-25106008
[Journal Article] Isolated energy level in the band gap of Yb2Si2O7 identified by electron energy-loss spectroscopy2016
- Author(s)
  T. Ogawa, S. Kobayashi, M. Wada, C. A. J. Fisher, A. Kuwabara, T. Kato, M. Yoshiya, S. Kitaoka, H. Moriwake
- Journal Title
  
  Physical Review B
  
  Volume: 93
- DOI
  10.1103/physrevb.93.201107
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-15K18218
[Journal Article] A machine learning-based selective sampling procedure for identifying the low energy region in a potential energy surface: a case study on proton conduction in oxides2016
- Author(s)
  K. Toyoura, D. Hirano, A. Seko, M. Shiga, A. Kuwabara, M. Karasuyama, K. Shitara, and I. Takeuchi
- Journal Title
  
  Physical Review B
  
  Volume: 93 Pages: 0-0
- DOI
  10.1103/physrevb.93.054112
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106008, KAKENHI-PUBLICLY-26106510, KAKENHI-PUBLICLY-26106513
[Journal Article] Theoretical and experimental studies of formation and migration of oxygen vacancies in BaMxTi1− xO3 (M = Zr, Ge)2016
- Author(s)
 Y. Umeda, S. Aman, A. Kuwabara, H. Moriwake
- Journal Title
 
 Jpn. J. Appl. Phys.
 
 Volume: 55 Issue: 10S Pages: 10TB02-10TB02
- DOI
 10.7567/jjap.55.10tb02
- NAID
 210000147172
- ISSN
 0021-4922, 1347-4065
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PLANNED-25106008
[Journal Article] The electric field induced ferroelectric phase transition of AgNbO32016
- Author(s)
  H. Moriwake, A. Konishi, T. Ogawa, C. A. J. Fisher, A. Kuwabara, D. Fu
- Journal Title
  
  Journal of Applied Physics
  
  Volume: 119 Pages: 064102-064102
- DOI
  10.1063/1.4941319
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-15K18218, KAKENHI-PLANNED-25106008
[Journal Article] Mechanism of Polarization Swithing in Wurtzite-Structured Zinc Oxide Thin Films2016
- Author(s)
  A. Konishi, T. Ogawa, C.A.J. Fisher, A. Kuwabara, T. Shimizu, S. Yasui, M. Itoh and H. Moriwake
- Journal Title
  
  Applied Physics Letter
  
  Volume: 109 Pages: 102903-102903
- DOI
  10.1063/1.4962440
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-15H02292, KAKENHI-PROJECT-15K18212, KAKENHI-PROJECT-15K18218
[Journal Article] Two competing soft modes and an unusual phase transition in the stuffed tridymite-type oxide2016
- Author(s)
  Kuno, Y.; Tassel, C.; Fujita, K.; Batuk, D.; Abakumov, A. M.; Shitara, K.; Kuwabara, A.; Moriwake, H.; Watabe, D.; Ritter, C.; Brown, C. M.; Yamamoto, T.; Takeiri, F.; Abe, R.; Kobayashi, Y.; Tanaka, K.; Kageyama, H.
- Journal Title
  
  Journal of The American Chemical Society
  
  Volume: 138 Pages: 134108-134108
- DOI
  10.1021/jacs.6b08635
- Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06439, KAKENHI-PLANNED-16H06440, KAKENHI-PLANNED-25106008, KAKENHI-PROJECT-16H04496, KAKENHI-PROJECT-16K14386, KAKENHI-PROJECT-16K17877
[Journal Article] An Alternative Description of Mass Transfer through Thick Oxide Films2015
- Author(s)
  T. Ogawa, S. Kitaoka, A. Kuwabara, C.A.J. Fisher, H. Moriwake
- Journal Title
  
  Scripta Materialia
  
  Volume: 100 Pages: 66-69
- DOI
  10.1016/j.scriptamat.2014.12.015
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106008
[Journal Article] Ferroelectricity in wurtzite structure simple chalcogenide2014
- Author(s)
  Hiroki Moriwake, Ayako Konishi, Takafumi Ogawa, Koji Fujimura, Craig A. J. Fisher, Akihide Kuwabara, Takao Shimizu, Shintaro Yasui, Mitsuru Itoh
- Journal Title
  
  Appl. Phys. Lett.
  
  Volume: 104 Pages: 242909-242909
- DOI
  10.1063/1.4884596
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PROJECT-24560833, KAKENHI-PLANNED-25106008
[Journal Article] A Density Functional Study of Vacancy Formation In Grain Boundaries of Undoped Alpha-Alumina2014
- Author(s)
  T. Ogawa, A. Kuwabara, C.A.J. Fisher, H. Moriwakea, K. Matsunaga, K. Tsuruta, S. Kitaoka
- Journal Title
  
  Acta Mater.
  
  Volume: 69 Pages: 365-371
- DOI
  10.1016/j.actamat.2014.01.059
- Peer Reviewed / Acknowledgement Compliant
- Data Source
  KAKENHI-PLANNED-25106008
[Journal Article] First-Principles Study of Point Defect Formation in AgNbO_32013
- Author(s)
  H. Moriwake, C. A. J. Fisher, A. Kuwabara, D. S. Fu
- Journal Title
  
  Jpn. J. Appl. Phys.
  
  Volume: 52 Issue: 9S1 Pages: 09KF08-09KF08
- DOI
  10.7567/jjap.52.09kf08
- NAID
  210000142868
- ISSN
  0021-4922, 1347-4065
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760629, KAKENHI-PROJECT-24560833
[Journal Article] Defect Chemistry of Rutile TiO_2 from First Principles Calculations2013
- Author(s)
  Tor S. Bjorheim, Akihide Kuwabara, Truls Norby
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 117 Pages: 5919-5930
- DOI
  10.1021/jp304146e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760629
[Journal Article] Local structural arrangements around oxygen and hydrogen-related defects in proton conducting LaP3O9 investigated by first principles calculations2012
- Author(s)
  Koji Amezawa, Hayato Takahashi, Akihide Kuwabara, Atsushi Unemoto, Tatsuya Kawada
- Journal Title
  
  International Journal of Hydrogen Energy
  
  Volume: 37 Pages: 7995-8003
- DOI
  10.1016/j.ijhydene.2011.11.069
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-22360286, KAKENHI-PROJECT-23760629
[Journal Article] Defects at the (110) surface of rutile TiO_2 from ab initio calculations2012
- Author(s)
  Tor S. Bjorheim, Akihide Kuwabara, Chris E Mohn, Truls Norby
- Journal Title
  
  Int. J. Hydrogen Energy
  
  Volume: 37 Pages: 8110-8117
- DOI
  10.1016/j.ijhydene.2011.12.165
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760629
[Journal Article] Computer simulation of coherent BaZrO3/MgO interfaces2011
- Author(s)
  C. A. J. Fisher, A. Kuwabara, H. Moriwake
- Journal Title
  
  Journal of the Ceramic Society of Japan
  
  Volume: 119 Issue: 1395 Pages: 861-866
- DOI
  10.2109/jcersj2.119.861
- NAID
  130001310515
- ISSN
  1348-6535, 1882-0743
- Language
  English
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23760629
[Journal Article] Structares and energetics of Ga203 polymorphs2008
- Author(s)
  S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga and I. Tanaka
- Journal Title
  
  Journal of Physics-Condensed Matter 19
  
  Pages: 346211-346211
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] First-principles investigation of R203(ZnO)(3)(R=Al,Ga,and In)in homologous series of compounds2008
- Author(s)
  S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga and I. Tanaka
- Journal Title
  
  Journal of Solid State Chemistry 181
  
  Pages: 137-142
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] First-principles investigation of R_2O_3(ZnO)_3(R=Al, Ga, and In)in homologous series of compounds2008
- Author(s)
  S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga, and I. Tanaka
- Journal Title
  
  J. Solid State Chem. 181
  
  Pages: 137-142
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] First-principles investigation of R_2O_3(ZnO)_3 (R=AL, Ga, and In) in homologous series of compounds2008
- Author(s)
  S., Yoshioka, K., Toyoura, F., Oba, A., Kuwabara, K., Matsunaga, I., Tanaka
- Journal Title
  
  J. Solid State Chem 181
  
  Pages: 137-142
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] First principles calculation of proton migration in SrZr032007
- Author(s)
  A.Kuwabara, T.Ninomiya, F.Oba, I.Tanaka
- Journal Title
  
  Proceedings of the 16th Iketani Conference (印刷中)
- Data Source
  KAKENHI-PROJECT-17041007
[Journal Article] Structures and energetics of Ga_2O_3 polymorphs2007
- Author(s)
  S., Yoshioka, H., Hayashi, A., Kuwabara, F., Oba, K., Matsunaga, I., Tanaka
- Journal Title
  
  Journal of Physics-Condensed Matter 19
  
  Pages: 346211-346211
- Description
  「研究成果報告書概要(欧文)」より
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] Structures and energetics of Ga_2O_3 polymorphs2007
- Author(s)
  S. Yoshioka, H. Hayashi, A. Kuwabara, F. Oba, K. Matsunaga and I. Tanaka
- Journal Title
  
  Journal of Physics-Condensed Matter 19
  
  Pages: 346211-346211
- Description
  「研究成果報告書概要(和文)」より
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations2006
- Author(s)
  T.Tohei, A.Kuwabara, F.Oba, I.Tanaka
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 64304-64304
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] Debye temperature and stiffness or carbon and boron nitride polymorphs from first principles calculations2006
- Author(s)
  Tetsuya Tohei, Akihide Kuwabara, Fumiyasu Oba, Isao Tanaka
- Journal Title
  
  PHYSICAL REVIEW B 73
  
  Pages: 164304-164304
- Data Source
  KAKENHI-PROJECT-17041007
[Journal Article] First-principles study of cation disordering in MgAl_2O_4 spinel with cluster expansion and Monte Carlo simulation2006
- Author(s)
  A.Seko, K.Yuge, F.Oba, A.Kuwabara, I.Tanaka, T.Yamamoto
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 94116-94116
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides : A combined cluster-expansion method and first-principles2006
- Author(s)
  A.Seko, K.Yuge, F.Oba, A.Kuwabara, I.Tanaka
- Journal Title
  
  Phys. Rev. B 73
  
  Pages: 184117-184117
- Data Source
  KAKENHI-PROJECT-18206067
[Journal Article] First-principles study of cation disordering in MgAI204 spinel with cluster expansion and Monte Carlo simulation2006
- Author(s)
  Atsuto Seko, Koretaka Yuge, Fumiyasu Oba, Akihide Kuwabara, Isao Tanaka
- Journal Title
  
  PHYSICAL REVIEW B 73
  
  Pages: 94116-94116
- Data Source
  KAKENHI-PROJECT-17041007
[Presentation] 希土類酸水素化物LnHOにおけるアニオン秩序・無秩序とヒドリド導電特性2020
- Author(s)
  生方宏樹, Thibault Broux, 竹入史隆, 設樂一希, 山下大貴, 桑原彰秀, 小林玄器, 陰山洋
- Organizer
  日本セラミックス協会第33回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-20H02828
[Presentation] 酸水素化物Ba2ScHO3におけるアニオン拡散機構の第一原理計算2020
- Author(s)
  桑原彰秀, 竹入史隆, NAWAZ Haq, 小林玄器
- Organizer
  日本セラミックス協会第33回秋季シンポジウム
- Data Source
  KAKENHI-PROJECT-20H02828
[Presentation] 層状ペロブスカイト型酸水素化物における欠陥構造とイオンダイナミクスの第一原理計算2020
- Author(s)
  桑原彰秀, 竹入史隆, Haq Nawaz, 小林玄器
- Organizer
  第46回固体イオニクス討論会
- Data Source
  KAKENHI-PROJECT-20H02828
[Presentation] K2NiF4 型酸水素化物における岩塩層 H-導電2020
- Author(s)
  竹入史隆, Haq Nawaz, 桑原彰秀, 米村雅雄, 小林玄器
- Organizer
  第46回固体イオニクス討論会
- Data Source
  KAKENHI-PROJECT-20H02828
[Presentation] アニオン秩序・無秩序を示す蛍石型酸水素化物 LnHO2020
- Author(s)
  生方宏樹, Thibault Broux, 竹入史隆, 設樂一希, 桑原彰秀, 小林玄器, 陰山洋
- Organizer
  第46回固体イオニクス討論会
- Data Source
  KAKENHI-PROJECT-20H02828
[Presentation] 第一原理計算による BaTiO3-xN2x/3の欠陥構造解析2018
- Author(s)
  設樂一希，小川貴史，桑原彰秀，竹入史隆，陰山洋，森分博紀
- Organizer
  第28回日本MRSJ年次大会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 選択的ヒドリド導入による物性制御2018
- Author(s)
  山本隆文, 設楽一希, 北川俊作, 桑原彰秀, 黒江雅広, 石田憲二, 越智正之, 黒木和彦, 藤井孝太郎, 八島正知, 陰山洋
- Organizer
  日本セラミックス協会　2018年年会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] バナジウム酸水素化物におけるアニオンサイト制御2018
- Author(s)
  山本隆文, 設楽一希, 北川俊作, 桑原彰秀, 黒江雅広, 石田憲二, 越智正之, 黒木和彦, 藤井孝太郎, 八島正知, 陰山洋
- Organizer
  日本化学会　第98春季年会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算によるバリウムチタン酸窒化物中の複合欠陥と分極反転機構の解析2018
- Author(s)
  設樂一希，小川貴史，桑原彰秀，竹入史隆，陰山洋，森分博紀
- Organizer
  日本金属学会　2018年秋期講演大会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] NaI-LiBH4固溶体における点欠陥形成とイオン伝導の第一原理計算2018
- Author(s)
  桑原彰秀、田口綾子、宮崎怜雄奈、森分博紀、野田泰斗
- Organizer
  日本金属学会　2018年秋期講演大会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] First principles calculation of charge-carrier and defect concentration of R2O3-doped BaZrO32018
- Author(s)
  A. Kuwabara, T. Ogawa, C. A. J. Fisher, H. Moriwake
- Organizer
  10th Kyoto International Forum for Environment and Energy
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] 理論計算を用いた酸化亜鉛の強誘電性解析2018
- Author(s)
  小西綾子，小川貴史，C.A.J. Fisher，桑原彰秀，森分博紀
- Organizer
  日本ファインセラミックス協会第32回ＪＦＣＡテクノフェスタ講演会
- Invited
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 六方晶系BaVO3-xHxにおける水酸化物イオンのサイト選択性に関する第一原理計算2018
- Author(s)
  設樂一希，山本隆文，陰山洋，森分博紀，桑原彰秀
- Organizer
  日本セラミックス協会　２０１８年年会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算による複合アニオン化合物の特異な配位環境の解明2017
- Author(s)
  桑原彰秀, 設樂一希、山本隆文、陰山洋
- Organizer
  第11回物性科学領域横断研究会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] アクセプター添加BaZrO3におけるドーパントおよび酸素欠損の固溶状態に関する第一原理計算2017
- Author(s)
  桑原彰秀，志賀元紀，C. A.J. Fisher，森分博紀
- Organizer
  日本金属学会 2017年秋期大会
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Mechanism of polarization switching in wurtzite-structured zinc oxide films2017
- Author(s)
  H. Moriwake, A. Konishi, T. Ogawa, C. A. J. Fisher, A. Kuwabara, T. Shimizu, S. Yasui, M. Itoh
- Organizer
  Fundamental physics of ferroelectrics 2017
- Place of Presentation
  USA, Williamsburg
- Year and Date
  2017-01-29
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算による複合アニオン化合物の特異な配位環境の解明2017
- Author(s)
  桑原彰秀, 設樂一希, 山本隆文, 陰山洋
- Organizer
  第11回物性科学領域横断研究会
- Invited
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] Ybシリケートのラマンスペクトル応力依存性の第一原理計算2017
- Author(s)
  小川貴史，大谷紀子，横井太史，クレイグ・フィッシャー，桑原彰秀，森分博紀，北岡諭
- Organizer
  日本セラミックス協会2017年年会
- Place of Presentation
  日本大学・駿河台キャンパス
- Year and Date
  2017-03-17
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Density functional study of impurity states in Mg2Si doped with Li, Na, and Ag2017
- Author(s)
  T. Ogawa, A. Konishi, A. Kuwabara
- Organizer
  2017 Materials Research Society fall meeting & exhibit
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] ウルツ鉱型結晶構造ZnO薄膜の強誘電性2017
- Author(s)
  森分博紀，小西綾子，小川貴史，クレイグフィッシャー，桑原彰秀，清水高雄，安井伸太郎，伊藤満
- Organizer
  日本物理学会　第72回年次大会
- Place of Presentation
  大阪大学・豊中キャンパス
- Year and Date
  2017-03-17
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First-Principles Calculations of Complex Defects in Mixed-Anion Perovskites2017
- Author(s)
  Akihide Kuwabara Kazuki Shitara, and Craig A. J. Fisher
- Organizer
  第6回豊田理研国際ワークショップ
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] 第一原理計算による非ペロブスカイト型強誘電体の探索2017
- Author(s)
  小西綾子，小川貴史，クレイグフィッシャー，桑原彰秀，森分博紀，濱嵜容丞，安井伸太郎，伊藤満
- Organizer
  Joint international workshop of WFF & WFSM　2017
- Place of Presentation
  北海道大学・札幌キャンパス
- Year and Date
  2017-03-02
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] プロトン伝導性酸化物BaZr0.8Sc0.2O3-δの水和反応とドーパント配置- in situ XASおよび第一原理計算による局所構造観察-2017
- Author(s)
  兵頭潤次, 星野健太, 山本健太郎, 瀬戸山寛之, 岡島敏浩, 桑原彰秀, 山崎仁丈,
- Organizer
  日本金属学会第161回講演大会
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] LiBH4添加NaIにおける欠陥形成挙動の第一原理計算2017
- Author(s)
  桑原彰秀、小西綾子、宮崎怜雄奈、森分博紀、野田泰斗
- Organizer
  第43回固体イオニクス討論会
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] in situ XASを用いたSc置換ジルコン酸バリウムにおけるプロトン導入酸素空孔サイトの解明2017
- Author(s)
  星野健太, 山本健太郎, 兵頭潤次, 桑原彰秀, 瀬戸山寛之, 岡島敏浩, 山崎仁丈
- Organizer
  第54回化学関連支部合同九州大会
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] Possibility of ferroelectricity in wurtzite-structured zinc oxide thin films2017
- Author(s)
  H. Moriwake，A. Konishi, T. Ogawa, C.A.J. Fisher，A. Kuwabara，T. Shimizu，S. Yasui，M. Itoh
- Organizer
  International Meeting on Ferroelectricity (IMF2017)
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Y添加BaZrO3における電気伝導キャリアの熱平衡濃度の第一原理計算2017
- Author(s)
  桑原彰秀，小川貴史，小西綾子，設樂一希，C. A.J. Fisher，森分博紀
- Organizer
  固体イオニクス学会第43回固体イオニクス討論会
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算によるp型Mg2Si中の点欠陥状態の解析2017
- Author(s)
  小川貴史，小西綾子，桑原彰秀
- Organizer
  第14回日本熱電学会学術講演会
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] “ジルコン酸バリウム薄膜におけるナノ構造制御とプロトン輸送“2017
- Author(s)
  山崎仁丈, 兵頭潤次，桑原彰秀
- Organizer
  第4回「ナノ構造情報」新学術領域公開シンポジウム
- Place of Presentation
  京都市
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] アクセプター添加BaZrO3におけるドーパントおよび酸素欠損の固溶状態に関する第一原理計算2017
- Author(s)
  桑原彰秀, 志賀元紀, クレイグ・フィッシャー, 森分博紀
- Organizer
  日本金属学会2017年秋季講演大会
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] First-Principles Study of Defect Structures and Ferroelectric Behavior in BaTiO3-xN2x/32017
- Author(s)
  Kazuki Shitara, Takafumi Ogawa, Akihide Kuwabara, Fumitaka Takeiri, Hiroshi Kageyama, Hiroki Moriwake
- Organizer
  第6回豊田理研国際ワークショップ
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] k-Al2O3型薄膜の強誘電性に関する理論計算2017
- Author(s)
  小西綾子，小川貴史，C. A.J. Fisher，桑原彰秀，森分博紀，片山司，安井伸太郎，谷山智康，伊藤満，木口賢紀，白石貴久，赤間章裕，浜嵜容丞
- Organizer
  日本セラミックス協会　第30回秋季シンポジウム
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算による複合アニオン化合物における固溶状態探索2017
- Author(s)
  桑原彰秀, 設樂一希、山本隆文、陰山洋
- Organizer
  日本セラミックス協会第30回秋季シンポジウム
- Invited
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] First-Principles Calculations of Complex Defects in Mixed-Anion Perovskites2017
- Author(s)
  Akihide Kuwabara, Kazuki Shitara, Craig A. J. Fisher
- Organizer
  The 6th Toyota RIKEN International Workshop
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] First principles calculations of defect clustering in acceptor-doped BaZrO32016
- Author(s)
  A. Kuwabara, C. A. J. Fisher, Y. Okuyama, Y. Yamazaki
- Organizer
  Nonstoichiometric comounds VI
- Place of Presentation
  USA, Santaphe
- Year and Date
  2016-09-04
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First Principles Calculations of Defect Clustering in Acceptor-Doped BaZrO32016
- Author(s)
  Akihide Kuwabara
- Organizer
  Nonstoichiometric Compounds Ⅵ
- Place of Presentation
  LaFonda on the Plaza
- Year and Date
  2016-09-07
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-16H06440
[Presentation] Understanding why dolium intercalated graphite is unstable electrochemical analysis2016
- Author(s)
  H. Moriwake, A. Kuwabara, C. A. J. Fisher, M. Nose, H. Nakayama, S. Nakanishi, H. Iba, and Y. Ikuhara
- Organizer
  米国電気化学会等 PRiME 2016/230th ECS Meeting
- Place of Presentation
  Honolulu, Hawaii, USA
- Year and Date
  2016-10-02
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算によるGaFeO3型強誘電体の分極反転経路解析2016
- Author(s)
  小西綾子，小川貴史，Craig A. J. Fisher，桑原彰秀，森分博紀，濱嵜容丞，安井伸太郎，伊藤満
- Organizer
  日本セラミックス協会　2016年年会
- Place of Presentation
  早稲田大学・東京
- Year and Date
  2016-03-14
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] HfO2薄膜における強誘電相転移に関する第一原理計算2016
- Author(s)
  森分博紀，小西綾子，桑原彰秀，東後篤史，清水荘雄，舟窪浩
- Organizer
  日本セラミックス協会 2016年年会
- Place of Presentation
  早稲田大学・東京
- Year and Date
  2016-03-14
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] DFT計算によるY2Ti2O7結晶中の点欠陥の研究2016
- Author(s)
  小川貴史，桑原彰秀，クレイグ・フィッシャー、森分博紀，北岡諭
- Organizer
  第26回日本MRS年次大会
- Place of Presentation
  横浜開港記念会館
- Year and Date
  2016-12-19
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Vの水素化特性における格子振動効果の第一原理計算2016
- Author(s)
  大谷紀子，桑原彰秀，小川貴史，世古敦人，田中功，松田潤子，秋葉悦男
- Organizer
  日本金属学会　2016年秋期(第159回)講演大会
- Place of Presentation
  大阪大学・豊中キャンパス
- Year and Date
  2016-09-21
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] リチウムイオン二次電池における界面構造とリチウムイオンダイナミクスの第一原理計算2016
- Author(s)
  桑原彰秀
- Organizer
  日本金属学会東海支部・日本鉄鋼協会東海支部学術討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2016-01-19
- Invited
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] “Hydrogen Bond: a Parameter Defining Proton-Dopant Association Energy and Proton Diffusivity in Doped Barium Zirconates”2016
- Author(s)
  Yoshihiro Yamazaki, Akihide Kuwabara, Yuji Okuyama, Craig A.J.Fisher, Sossina M. Haile
- Organizer
  The 18th international conference on solid state protonic conductors (SSPC-18)
- Place of Presentation
  Oslo, Norway
- Year and Date
  2016-09-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] Electronic Ceramics Research Combining Atomic Level Structure Analysis and Theoretical Calculations2016
- Author(s)
  H. Moriwake, A. Kuwabara, C. A. J. Fisher, T. Ogawa, A. Konishi, N. Ohtani, K. Shitara, Y. H. Ikuhara, and Y. Ikuhara
- Organizer
  The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC-5)
- Place of Presentation
  ウィンクあいち・名古屋
- Year and Date
  2016-05-11
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] The origin of weak ferroelectricity in room temperature phase AgNbO32016
- Author(s)
  森分博紀，小西綾子，小川貴史，クレイグフィッシャー，桑原彰秀，符徳勝
- Organizer
  13th Russia/CIS/Baltic/Japan symposium on ferroelectricity (RCBJSF)
- Place of Presentation
  くにびきメッセ・松江
- Year and Date
  2016-06-19
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First principles calculations of solid solution states in Y-doped BaZrO32016
- Author(s)
  A. Kuwabara, C. A. J. Fisher, Y. Okuyama, Y. Yamazaki
- Organizer
  Solid state proton conductors 18
- Place of Presentation
  Norway, Univ. Oslo
- Year and Date
  2016-09-18
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] A Study on the Electronic Structures of Ytterbium Silicates: First-Principles Calculations and Valence Electron Energy-Loss Spectroscopy2016
- Author(s)
  T. Ogawa, S. Kobayashi, M. Wada, C. A. J. Fisher, A. Kuwabara, H. Moriwake, T. Kato, M. Yoshiya, and S. Kitaoka
- Organizer
  The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC-5)
- Place of Presentation
  ウィンクあいち・名古屋
- Year and Date
  2016-05-11
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Electric-field-induced Ferroelectricity of AgNbO3 and its Polarization Fluctuation at Finite Temperature2016
- Author(s)
  A. Konishi，C. A. J. Fisher，A. Kuwabara，H. Moriwake，D. Fu
- Organizer
  The 5th International Symposium on Advanced Microscopy and Theoretical Calculations (AMTC-5)
- Place of Presentation
  ウィンクあいち・名古屋
- Year and Date
  2016-05-11
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First-Principles Calculations of Electric Field Induced Ferroelectric Phase Transition in AgNbO32016
- Author(s)
  H. Moriwake, A. Konishi, T. Ogawa, C. A. J. Fisher, A. Kuwabara, D. Fu
- Organizer
  Fundamental Physics of Ferroelectrics 2016 (Ferro2016)
- Place of Presentation
  Washington, USA
- Year and Date
  2016-01-31
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算による強誘電性k-Al2O3型結晶構造の分極反転経路解析2016
- Author(s)
  小西綾子，小川貴史，クレイグフィッシャー，桑原彰秀，森分博紀，濱嵜容丞，安井伸太郎，伊藤満
- Organizer
  日本金属学会　2016年秋期(第159回)講演大会
- Place of Presentation
  大阪大学・豊中キャンパス
- Year and Date
  2016-09-21
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] “First principles calculations of defect clustering in acceptor-doped BaZrO3”2016
- Author(s)
  A. Kuwabara, CAJ. Fisher, Y. Okuyama, Y. Yamazaki
- Organizer
  Nonstoichiometric Compounds VI
- Place of Presentation
  Santa Fe, USA
- Year and Date
  2016-09-04
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] 第一原理計算によるYbシリケートのラマンスペクトルの検討2016
- Author(s)
  小川貴史，大谷紀子，横井太史，クレイグ・フィッシャー，桑原彰秀，森分博紀，北岡諭
- Organizer
  日本セラミックス協会　第29回秋季シンポジウム
- Place of Presentation
  広島大学・東広島キャンパス
- Year and Date
  2016-09-07
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Defect chemistry in Y2Ti2O7 pyrochlore from DFT calculations2016
- Author(s)
  T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, S. Kitaoka
- Organizer
  40th International Conference and Expo on Advanced Ceramics and Composites (ICACC' 16)
- Place of Presentation
  Frolida, USA
- Year and Date
  2016-01-24
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First Principles Calculations of Diffusion and Defect Formation Mechanism in Solid State Ionic Conductors2016
- Author(s)
  A. Kuwabara
- Organizer
  Japanese Swiss Energy Materials Workshop
- Place of Presentation
  Zürich, Switzerland
- Year and Date
  2016-03-07
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First-principles calculations of Li-ion migration behaviors at solid-solid interfaces in lithium-ion battery materials2016
- Author(s)
  A. Kuwabara, H. Yu, C. A. J . Fisher, H. Moriwake, H. Zhou, Y. Ikuhara
- Organizer
  40th International Conference and Expo on Advanced Ceramics and Composites (ICACC’16)
- Place of Presentation
  Frolida, USA
- Year and Date
  2016-01-24
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First Principles Calculations of Solid Solution States in Y-doped BaZrO32016
- Author(s)
  Akihide Kuwabara, Motoki Shiga, Craig A. J. Fisher, Hiroki Moriwake
- Organizer
  18th International Conference on Soid State Proton Conductors
- Place of Presentation
  Soria Moria, Oslo, Norway
- Year and Date
  2016-09-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] AｇNbO3の電場勇気強誘電相転移2016
- Author(s)
  森分博紀，小西綾子，小川貴史，クレイグフィッシャー，桑原彰秀，符徳勝
- Organizer
  日本物理学会 2016年秋季大会
- Place of Presentation
  金沢大学・門間キャンパス
- Year and Date
  2016-09-13
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First principles calculations of carrier trapping in proton conductive acceptor-doped BaZrO32016
- Author(s)
  桑原彰秀，ｸﾚｲｸﾞ･ﾌｨｯｼｬｰ，森分博紀
- Organizer
  20th International Conference on Solid State Ionics (SSI20)
- Place of Presentation
  Keystone, Colorado, USA
- Year and Date
  2016-06-14
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] FIRST PRINCIPLES CALCULATIONS OF DEFECT CLUSTERING IN ACCEPTOR-DOPED BaZrO32016
- Author(s)
  Akihide Kuwabara, Craig A. J. Fisher, Yuji Okuyama, Yoshihiro Yamazaki
- Organizer
  Nonstoichiometric Compounds VI
- Place of Presentation
  LaFonda on the Plaza, Santa Fe, USA
- Year and Date
  2016-09-04
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K06739
[Presentation] 第一原理計算によるAgNbO3の電場誘起強誘電相転移と有限温度における挙動2015
- Author(s)
  小西綾子，小川貴史，Craig A. J. Fisher，桑原彰秀，森分博紀，符徳勝
- Organizer
  日本セラミックス協会第28回秋季シンポジウム
- Place of Presentation
  富山大学・五福キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Ferroelectricity in Wurtzite Structured ZnO under Fixed Electric Displacement Fields Using First-Principles Calculations2015
- Author(s)
  小西綾子，森分博紀，小川貴史，大谷紀子，Craig A. J. Fisher，桑原彰秀
- Organizer
  第32回日韓セラミックスセミナー
- Place of Presentation
  ホテルニューオータニ長岡・長岡
- Year and Date
  2015-11-18
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] First-Principles Calculations of Point Defect Formation in Y2Ti2O7 Pyrochlore2015
- Author(s)
  小川貴史，桑原彰秀，フィッシャー・クレイグ，森分博紀，北岡諭
- Organizer
  2nd International Symposium on Frontiers in Materials Science (FMS2015)
- Place of Presentation
  早稲田大学・東京
- Year and Date
  2015-11-19
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 第一原理計算によるYbシリケートの結合と電子状態の解析2015
- Author(s)
  小川貴史，桑原彰秀，C. A. J. Fisher，森分博紀，北岡諭，吉矢真人
- Organizer
  日本セラミックス協会第28回秋季シンポジウム
- Place of Presentation
  富山大学・五福キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Li過剰系正極活物質における界面でのLi拡散現象に関する第一原理計算2015
- Author(s)
  桑原彰秀，肖英紀、尉海军、栃木栄太、柴田直哉、工藤徹一、周豪慎、幾原雄一
- Organizer
  第25回日本MRS年次大会
- Place of Presentation
  横浜情報文化センター
- Year and Date
  2015-12-08
- Invited
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Na二次電池正極材料Na4Co3(PO4)2P2O7の電池特性の第一原理計算2015
- Author(s)
  森分博紀，桑原彰秀，Craig Fisher，野瀬雅文，中山英樹*，中西真二，射場英紀，幾原雄一
- Organizer
  電気化学会　第56回　電池討論会
- Place of Presentation
  ウィンクあいち・名古屋市
- Year and Date
  2015-11-11
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Atomistic Structures and Transport Phenomena at Interfaces in Lithium Battery Materials2015
- Author(s)
  A. Kuwabara, C. A. J. Fisher, Y. H. Ikuhara, X. Gao, H. Moriwake, R. Huang, K. Kohama, T. Hitosugi, Y. Ikuhara
- Organizer
  Composites at Lake Louise (CALL 2015)
- Place of Presentation
  Lake Louise, Alberta, Canada
- Year and Date
  2015-11-08
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Li過剰系正極活物質Li2MnO3-LiTMO2 (TM = Mn, Ni, Co)におけるドメイン境界でのLi拡散挙動の第一原理計算2015
- Author(s)
  桑原彰秀，肖英紀，尉海军，栃木栄太，柴田直哉，工藤徹一，周豪慎，幾原雄一
- Organizer
  日本セラミックス協会第28回秋季シンポジウム
- Place of Presentation
  富山大学・五福キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Structure and electronic structure change during charge-discharge process of Na4Co3(PO4)2P2O7: A first-principle study2015
- Author(s)
  H. Moriwake, A. Kuwabara, C. A. J. Fisher, M. Nose, H. Nakayama,　S. Nakanishi, H. Iba and Y. Ikuhara
- Organizer
  5 MRS Fall Meeting & Exhibit
- Place of Presentation
  Boston, USA
- Year and Date
  2015-11-29
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 一定電束密度下の第一原理計算を用いたウルツァイト型結晶構造酸化物の強誘電性解析2015
- Author(s)
  小西綾子，森分博紀，小川貴史，大谷紀子，Craig A. J. Fisher，桑原彰秀
- Organizer
  第25回日本MRS年次大会
- Place of Presentation
  横浜情報文化センター
- Year and Date
  2015-12-08
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Na二次電池正極材料Na4Co3(PO4)2P2O7の電池特性の第一原理計算2015
- Author(s)
  森分博紀，桑原彰秀，クレイグフィッシャー , 野瀬雅文，中山英樹，中西真二，射場英紀、幾原雄一
- Organizer
  日本セラミックス協会　第28回秋季シンポジウム
- Place of Presentation
  富山大学・五福キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Y2Ti2O7パイロクロア結晶中の点欠陥生成に関する第一原理計算2015
- Author(s)
  小川貴史，桑原彰秀，フィッシャー・クレイグ，森分博紀，北岡諭
- Organizer
  日本金属学会　2015年秋期(第157回)講演大会
- Place of Presentation
  九州大学・伊都キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] ランタノイド置換ジルコン酸バリウムにおける会合エネルギーの決定：電気化学，熱重量測定および第一原理計算2015
- Author(s)
  奥山勇治, 山本健太郎, 桑原彰秀, 山崎仁丈
- Organizer
  2015年第157回秋期講演大会
- Place of Presentation
  九州大学伊都キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] 水素結合で規定されるプロトン拡散：電気化学実験および第一原理計算2015
- Author(s)
  山崎仁丈, 桑原彰秀, 奥山勇治, 山本健太郎, Craing Fisher, Sossina M.Haile
- Organizer
  第41回固体イオニクス討論会
- Place of Presentation
  北海道大学
- Year and Date
  2015-11-25
- Data Source
  KAKENHI-PROJECT-15H02287
[Presentation] First-Principles Calculation of Hydration Reaction in Acceptor-doped Rare-Earth Phosphates2015
- Author(s)
  A. Kuwabara, H. Matsuo, H. Takahashi, N. Kitamura, K. Amezawa
- Organizer
  2nd International Symposium on Frontiers in Materials Science (FMS2015)
- Place of Presentation
  早稲田大学・東京
- Year and Date
  2015-11-19
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] プロトン伝導性BaZrO3における欠陥会合状態の影響2013
- Author(s)
  桑原彰秀、Craig A. J. Fisher、森分博紀、豊浦和明、松永克志小山幸典、大場史康、田中功
- Organizer
  公益社団法人日本セラミックス協会 2013年年会
- Place of Presentation
  東京工業大学、東京
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] First Principles Calculations of defect chemistry of doped BaZrO3 systems2013
- Author(s)
  Akihide Kuwabara, Kazuaki Toyoura, Yukinori Koyama, Craig A. J. Fisher, Fumiyasu Oba, Katsuyuki Matsunaga, Hiroki Moriwake, Isao Tanaka
- Organizer
  MS&T 2013
- Place of Presentation
  Palais des congrès de Montréal
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] 第一原理計算によるプロトン伝導性BaZrO3における欠陥会合状態の解析2013
- Author(s)
  桑原彰秀、豊浦和明、小山幸典、クレイグ・フィッシャー、松永克志、森分博紀、田中功
- Organizer
  第39回固体イオニクス討論会
- Place of Presentation
  くまもと県民交流館パレア
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] 第一原理計算によるプロトン伝導性BaZrO_3における欠陥会合状態の解析2013
- Author(s)
  桑原彰秀
- Organizer
  第39回固体イオニクス討論会
- Place of Presentation
  くまもと県民交流館パレア
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] 第一原理計算を用いた電池材料における欠陥形成挙動とイオンダイナミクスの解析2013
- Author(s)
  桑原彰秀
- Organizer
  第144回電子セラミック・プロセス研究会
- Place of Presentation
  湘南工科大学
- Year and Date
  2013-12-14
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] First Principles Calculations of defect chemistry of doped BaZrO_3 systems2013
- Author(s)
  Akihide Kuwabara
- Organizer
  Materials Science & Technology 2013 Conference (MS&T'13)
- Place of Presentation
  Quebec, Canada
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] First Principles Calculations of Thermal Equilibrium Defect Formation in Acceptor-doped BaZrO_32012
- Author(s)
  Akihide Kuwabara
- Organizer
  The 5th International Symposium on Designing, Processing and Properties of Advanced Engineering Materials
- Place of Presentation
  Toyohashi, Japan
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] Theoretical Modeling of Defect Formation Behavior in Acceptor-doped BaZrO_3 using DFT calculations2012
- Author(s)
  Akihide Kuwabara
- Organizer
  Solid State Proton Conductors 16
- Place of Presentation
  Grenoble, France
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] 第一原理計算を用いた固体イオニクス材料における欠陥化学とダイナミクスの理論解析2012
- Author(s)
  桑原彰秀
- Organizer
  第8回固体イオニクスセミナー
- Place of Presentation
  信貴山玉蔵院
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] First Principles Calculations of Point Defect Formation in Solid State Ionics Materials2012
- Author(s)
  Akihide Kuwabara
- Organizer
  Nonstoichiometric Compounds V
- Place of Presentation
  Sicily, Italy
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] First Principles Calculations of Point Defect Formation in Solid State Ionics Materials2012
- Author(s)
  Akihide Kuwabara
- Organizer
  Nonstoichiometric Compounds V
- Place of Presentation
  Capo Dei Greci Hotel Resort and Spa, シシリー, イタリア
- Invited
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] Theoretical Modeling of Defect Formation Behavior in Acceptor-doped BaZrO3 using DFT calculations2012
- Author(s)
  Akihide Kuwabara, Kazuaki Toyoura, Yukinori Koyama, Craig A. J. Fisher, Fumiyasu Oba, Katsuyuki Matsunaga, Hiroki Moriwake, Isao Tanaka
- Organizer
  Solid State Proton Conductor 16
- Place of Presentation
  MINATEC, グルノーブル, フランス
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] プロトン伝導型固体電解質BaZrO_3における熱平衡欠陥濃度の第一原理計算2011
- Author(s)
  桑原彰秀
- Organizer
  日本セラミックス協会第24回秋季シンポジウム
- Place of Presentation
  北海道大学
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] LaPO4の欠陥構造とプロトン伝導特性2011
- Author(s)
  松尾宙晃、高橋勇人、桑原彰秀、橋本真一、雨澤浩史、川田達也
- Organizer
  2011年電気化学秋季大会
- Place of Presentation
  朱鷺メッセ
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] プロトン伝導型固体電解質BaZrO3における熱平衡欠陥濃度の第一原理計算2011
- Author(s)
  桑原彰秀、豊浦和明、小山幸典、大場史康、 Craig A. J. Fisher、森分博紀、松永克志、田中功
- Organizer
  日本セラミックス協会　第24回秋季シンポジウム
- Place of Presentation
  北海道大学
- Data Source
  KAKENHI-PROJECT-23760629
[Presentation] アルミナ層粒界を介した物質移動機構の原子論的解析
- Author(s)
  小川貴史，北岡諭，桑原彰秀，クレイグ・フィッシャー，森分博紀
- Organizer
  日本金属学会　2015年春期(第156回)講演大会
- Place of Presentation
  東京大学駒場 I 地区キャンパス
- Year and Date
  2015-03-18 – 2015-03-20
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] アルミナΣ31粒界における空孔形成の第一原理計算
- Author(s)
  小川貴史，桑原彰，Fisher Craig，森分博紀，北岡諭，松永克志
- Organizer
  日本金属学会 2014年秋期(第155回)講演大会
- Place of Presentation
  名古屋大学・東山キャンパス
- Year and Date
  2014-09-24 – 2014-09-26
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] A Theoretical Study of Temperature Dependence of Vacancy Formation at Grain Boundaries of Non-doped Alpha-Alumina
- Author(s)
  T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, S. Kitaoka
- Organizer
  The 4th Inter. Symp. on Advanced Microscopy and theoretical Calculations （AMTC4）
- Place of Presentation
  アクトシティ浜松コングレスセンター
- Year and Date
  2014-05-08 – 2014-05-10
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] 酸素ポテンシャル勾配下におけるアルミナ粒界拡散に関する理論解析
- Author(s)
  小川貴史，桑原彰秀，クレイグ・フィッシャー，森分博紀，北岡諭，松永克志，鶴田健二
- Organizer
  日本金属学会春期（第154回）大会
- Place of Presentation
  東京工業大学・大岡山キャンパス
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] Atomistic Theoretical Study on Oxygen Permeation of Alpha-Alumina used in an Advanced EBC
- Author(s)
  T. Ogawa, A. Kuwabara, C. A. J. Fisher, H. Moriwake, S. Kitaoka
- Organizer
  The 39th International Conference and Exposition on Advanced Ceramics and Composites (ICACC 2015)
- Place of Presentation
  Daytona Beach, Florida, USA
- Year and Date
  2015-01-25 – 2015-01-30
- Data Source
  KAKENHI-PLANNED-25106008
[Presentation] A theoretical Study of Oxygen Permeation in α-alumina
- Author(s)
  T. Ogawa, A. Kuwabara, C. Fisher, H. Moriwake, K. Matsunaga, K. Tsuruta, S. Kitaoka.
- Organizer
  The 38th International Conference and Exposition on Advanced Ceramics and Composites (ICACC 2014)
- Place of Presentation
  Daytona Beach, Florida, USA
- Data Source
  KAKENHI-PLANNED-25106008

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KUWABARA Akihide 桑原 彰秀

桑原 彰秀 クワバラ アキヒデ

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Unravelling the structural rules of antiperovskites and their derivatives

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Supra-ceramics: Molecule-driven Frontier of Inorganic Materials

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Computational Science of Designing and Elucidating the Functions of Supra-ceramicsPrincipal Investigator

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Study on H- conductors ~Development of material design guidelines for low -temperature operation~

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Understanding of Mixed Anion Compounds: Analyses of Chemical, Structural and Electronic States

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Theoretical investigation on defect structure and ion dynamics in solid electrolytesPrincipal Investigator

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Development of proton-conducting oxides based on proton trapping

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Nanostructure control and creation of environmental barrier ceramic materials

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Computational research of ionic conductance mechanism in bulk and interfaces of proton conductive oxidesPrincipal Investigator

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First-principles thermodynamical calculations and experimental confirmation of the phase diagrams of ceramic systems

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イオニクス材料における反応素過程の量子力学シミュレーションと材料設計Principal Investigator

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[Journal Article] Anion ordering enables fast H- conduction at low temperatures2021

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[Journal Article] Ionic conduction mechanism in Ca-doped Lanthanum Oxychloride2021

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KUWABARA Akihide 桑原彰秀

桑原彰秀クワバラアキヒデ