Tada Kohei 多田幸平

Researcher Number	70805621
Other IDs
Affiliation (Current)	2025: 大阪大学, 大学院基礎工学研究科, 助教
Affiliation (based on the past Project Information) *help	2024 – 2025: 大阪大学, 大学院基礎工学研究科, 助教 2021 – 2023: 国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 主任研究員 2020: 国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 研究員 2017 – 2018: 国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 研究員
Review Section/Research Field	Principal Investigator Basic Section 32020:Functional solid state chemistry-related / Basic Section 29020:Thin film/surface and interfacial physical properties-related / Physical chemistry Except Principal Investigator Basic Section 64020:Environmental load reduction and remediation-related / Basic Section 32020:Functional solid state chemistry-related / Basic Section 36020:Energy-related chemistry / Energy-related chemistry
Keywords	Principal Investigator 第一原理計算 / 不均一系触媒 / 密度汎関数理論 / スピン混入誤差 / スピントロニクス / 燃料電池用触媒 / 表面科学 / 貴金属代替 / 貴金属触媒 / 密度半関数理論 … More / 表面ジラジカル性 / データ駆動型研究 / 分子デバイス / 新奇二次電池材料 / 分子-表面相互作用 / ジラジカル性 / ジラジカル分子 / 金属クラスター / 表面化学反応 / 分子/表面相互作用 / 遷移状態探査 / 平面波基底 / 表面・界面 … More Except Principal Investigator 第一原理計算 / LCA評価 / ナトリウムイオン電池 / d-π複合電子系機能材料 / 双安定性 / バンド計算 / 量子化学計算 / d-π複合電子系機能性材料 / In silico分子デザイン / 機械的性質 / 二次電池材料 / 局所応力解析 / 局所エネルギー解析 / Naイオン電池 / Liイオン電池 / 二次イオン電池 / 局所機械的性質 / 計算科学 / 構造解析 / 電池材料 / Rhポルフィリン / 錯体触媒 / 電子顕微鏡 / 触媒・化学プロセス / 原子間力顕微鏡 / ロジウム / 錯体系電極触媒 / ポルフィリン / アノード / 燃料電池 / 透過型電子顕微鏡 / 走査プローブ顕微鏡 / Rh / 電極触媒 Less

表面による開殻分子性制御理論の確立とデータ駆動型複合界面研究への展開Principal Investigator
- Principal Investigator
  
  多田幸平
- Project Period (FY)
  2025 – 2027
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 32020:Functional solid state chemistry-related
- Research Institution
  The University of Osaka
次世代材料開発を先導するプロアクティブデザインによるNaイオン電池開発
- Principal Investigator
  
  竹市信彦
- Project Period (FY)
  2023 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 64020:Environmental load reduction and remediation-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
In silico design of innovative functional materials bearing bistability based on d-pi electron hybrid systems
- Principal Investigator
  
  北河康隆
- Project Period (FY)
  2022 – 2025
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Review Section
  
  Basic Section 32020:Functional solid state chemistry-related
- Research Institution
  Osaka University
Elucidation of local structures and mechanical properties in secondary battery materials and development of methods to establish design guidelines
- Principal Investigator
  
  Tanaka Shingo
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Scientific Research (C)
- Review Section
  
  Basic Section 36020:Energy-related chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Development of high-accurate first-principle calculation methods for surface science and the application to material science: Building the foundation for the data-driven surface sciencePrincipal Investigator
- Principal Investigator
  
  Tada Kohei
- Project Period (FY)
  2020 – 2022
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 29020:Thin film/surface and interfacial physical properties-related
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Clarification of effects of spin contamination error on surface reactions via development of approximate spin projection schemePrincipal Investigator
- Principal Investigator
  
  Tada Kohei
- Project Period (FY)
  2017 – 2018
- Research Category
  
  Grant-in-Aid for Research Activity Start-up
- Research Field
  
  Physical chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology
Mechanistic analysis of metallocomplex-based electrocatalysts
- Principal Investigator
  
  Yamazaki Shin-ichi
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Scientific Research (B)
- Research Field
  
  Energy-related chemistry
- Research Institution
  National Institute of Advanced Industrial Science and Technology

All 2024 2023 2022 2021 2020 2019 2018 2017

All Journal Article Presentation

[Journal Article] Mechanism of Reductive Fluorination by PTFE-Decomposition Fluorocarbon Gases for WO32023
- Author(s)
  Yamamoto Hiroki、Tada Kohei、Hwang Jinkwang、Hirai Daigorou、Hiroi Zenji、Matsumoto Kazuhiko、Hagiwara Rika
- Journal Title
  
  Inorganic Chemistry
  
  Volume: 62 Issue: 5 Pages: 2116-2127
- DOI
  10.1021/acs.inorgchem.2c03761
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Issues on DFT+U calculations of organic diradicals2023
- Author(s)
  Tada Kohei、Kitagawa Yasutaka
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 25 Issue: 46 Pages: 32110-32122
- DOI
  10.1039/d3cp04187e
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-23K23318
[Journal Article] CeO2 promotes electrocatalytic formic acid oxidation of Pd-based alloys2023
- Author(s)
  Goswami Chiranjita、Borah Biraj Jyoti、Das Ruprekha、Tada Kohei、Tanaka Shingo、Prosvirin Igor P.、Ismagilov Ilyas Z.、Matus Ekaterina V.、Kerzhentsev Mikhail、Bharali Pankaj
- Journal Title
  
  Journal of Alloys and Compounds
  
  Volume: 948 Pages: 169665-169665
- DOI
  10.1016/j.jallcom.2023.169665
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Investigation of the Interaction Between Au and Brookite TiO2 Using Transmission Electron Microscopy and Density Functional Theory2023
- Author(s)
  Tada Kohei、Hinuma Yoyo、Ichikawa Satoshi、Tanaka Shingo
- Journal Title
  
  Bulletin of the Chemical Society of Japan
  
  Volume: 96 Issue: 4 Pages: 373-380
- DOI
  10.1246/bcsj.20230007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Properties of spinel-type Ti?Li?M composite oxides (M = Li, Na, Cu, and Ag) predicted by density functional theory2022
- Author(s)
  Tada Kohei、Kitta Mitsunori、Tanaka Shingo
- Journal Title
  
  Physical Chemistry Chemical Physics
  
  Volume: 24 Issue: 45 Pages: 28055-28068
- DOI
  10.1039/d2cp03054c
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05696, KAKENHI-PROJECT-20K15177
[Journal Article] Diradical Characters of s-Indaceno[1,2,3-cd;5,6,7-c’d’]Diphenalene with and without Interaction with MgO(001)2022
- Author(s)
  Kohei Tada, Hiroyuki Ozaki, Koji Fujimaru, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura
- Journal Title
  
  e-J. Surf. Sci. Nanotechnol.
  
  Volume: 20 Issue: 2 Pages: 59-67
- DOI
  10.1380/ejssnt.2022-011
- ISSN
  1348-0391
- Year and Date
  2022-03-19
- Language
  English
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-21K04994, KAKENHI-PROJECT-20K15177
[Journal Article] 表面ジラジカル性の解析技術の開発と表面吸着効果の理論検討2022
- Author(s)
  多田幸平、尾崎弘幸、藤丸航志、北河康隆、川上貴資、奥村光隆、田中真悟
- Journal Title
  
  表面と真空
  
  Volume: 65 Pages: 8-13
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Improving Electrochemical Activity of P2‐type Na2/3Mn2/3Ni1/3O2 by Controlling its Crystallinity2022
- Author(s)
  Kataoka Riki、Taguchi Noboru、Tada Kohei、Machida Akihiko、Takeichi Nobuhiko
- Journal Title
  
  Batteries & Supercaps
  
  Volume: 6 Issue: 2
- DOI
  10.1002/batt.202200462
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] CO Oxidation Activity of Au on Spinel Titanate Supports: Improvement of Catalytic Activity via Alkali Cation Substitution from Li4Ti5O12 to Na3LiTi5O122022
- Author(s)
 Tada Kohei、Kitta Mitsunori、Tanaka Shingo
- Journal Title
 
 Chemistry Letters
 
 Volume: 51 Issue: 2 Pages: 157-161
- DOI
 10.1246/cl.210594
- NAID
 130008161621
- Peer Reviewed
- Data Source
 KAKENHI-PROJECT-20K15177
[Journal Article] 開殻電子系に対する表面吸着及びスタッキング効果に関する理論研究2022
- Author(s)
  多田幸平
- Journal Title
  
  理論化学会誌フロンティア
  
  Volume: 4 Pages: 76-85
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Variation in spin contamination and diradical character with distance between a singlet biradical molecule and surface2022
- Author(s)
  Fujimaru Koji、Tada Kohei、Ozaki Hiroyuki、Okumura Mitsutaka、Tanaka Shingo
- Journal Title
  
  Surfaces and Interfaces
  
  Volume: 33 Pages: 102206-102206
- DOI
  10.1016/j.surfin.2022.102206
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-21K04994, KAKENHI-PROJECT-20K15177
[Journal Article] Implications of coordination chemistry to cationic interactions in honeycomb layered nickel tellurates2022
- Author(s)
  Tada Kohei、Masese Titus、Kanyolo Godwill Mbiti
- Journal Title
  
  Computational Materials Science
  
  Volume: 207 Pages: 111322-111322
- DOI
  10.1016/j.commatsci.2022.111322
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15177, KAKENHI-PROJECT-21K14730
[Journal Article] Synthesis of cubic silver titanium oxide with a spinel-based structure2021
- Author(s)
  Kitta Mitsunori、Kojima Toshikatsu、Kataoka Riki、Tada Kohei
- Journal Title
  
  Journal of Solid State Chemistry
  
  Volume: 303 Pages: 122514-122514
- DOI
  10.1016/j.jssc.2021.122514
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05696
[Journal Article] Difference in the electron energy loss spectra between the spinel-type Na3LiTi5O12 and Li4Ti5O12 clarified by density functional theory calculations2021
- Author(s)
  Tada Kohei、Kitta Mitsunori、Tanaka Shingo
- Journal Title
  
  Computational Materials Science
  
  Volume: 188 Pages: 110240-110240
- DOI
  10.1016/j.commatsci.2020.110240
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05696
[Journal Article] Estimation of spin contamination errors in DFT/plane-wave calculations of solid materials using approximate spin projection scheme2021
- Author(s)
  Tada Kohei、Yamanaka Shusuke、Kawakami Takashi、Kitagawa Yasutaka、Okumura Mitsutaka、Yamaguchi Kizashi、Tanaka Shingo
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 765 Pages: 138291-138291
- DOI
  10.1016/j.cplett.2020.138291
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K15177, KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-21K04994
[Journal Article] Can we enhance diradical character using interaction with stoichiometric surfaces of ionic oxides ? A theoretical investigation by chemical indices2021
- Author(s)
  Kohei Tada*, Hiroyuki Ozaki, Koji Fujimaru, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura
- Journal Title
  
  Phys. Chem. Chem. Phys.
  
  Volume: 23 Issue: 44 Pages: 25024-25028
- DOI
  10.1039/d1cp03439a
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-20K15177
[Journal Article] Electron Density-based Estimation of Diradical Character: An Easy Scheme for DFT/Plane-wave Calculations2021
- Author(s)
  Tada Kohei、Kitagawa Yasutaka、Kawakami Takashi、Okumura Mitsutaka、Tanaka Shingo
- Journal Title
  
  Chemistry Letters
  
  Volume: 50 Issue: 2 Pages: 392-396
- DOI
  10.1246/cl.200741
- NAID
  130007986384
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177, KAKENHI-PROJECT-20K05528
[Journal Article] Detection of a real heterogeneous catalyst with an inactive oxygen-covered surface: Au/Li4Ti5O122021
- Author(s)
  Tada Kohei、Kitta Mitsunori、Tanaka Shingo
- Journal Title
  
  Applied Surface Science
  
  Volume: 554 Pages: 149624-149624
- DOI
  10.1016/j.apsusc.2021.149624
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] A comparative study of the photocatalytic and optical properties of spinel-type titanates: A report for spinel sodium titanate2021
- Author(s)
  Tada Kohei、Sakurai Hiroaki、Kitta Mitsunori、Yazawa Koji、Tanaka Shingo
- Journal Title
  
  Journal of Solid State Chemistry
  
  Volume: 304 Pages: 122593-122593
- DOI
  10.1016/j.jssc.2021.122593
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Boosting the electrocatalytic activity of Pd/C by Cu alloying: Insight on Pd/Cu composition and reaction pathway2021
- Author(s)
  Goswami Chiranjita、Saikia Himadri、Jyoti Borah Biraj、Jyoti Kalita Manash、Tada Kohei、Tanaka Shingo、Bharali Pankaj
- Journal Title
  
  Journal of Colloid and Interface Science
  
  Volume: 587 Pages: 446-456
- DOI
  10.1016/j.jcis.2020.11.104
- Peer Reviewed / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Extension of the linear response function of electron density to a plane-wave basis and the first application to periodic surface systems2021
- Author(s)
  Tomohiro Maruyama, Jinta Ohnari, Kohei Tada, Yoyo Hinuma, Takashi Kawakami, Shusuke Yamanaka, Mitsutaka Okumura
- Journal Title
  
  Chem. Lett.
  
  Volume: 50 Issue: 10 Pages: 1801-1805
- DOI
  10.1246/cl.210375
- NAID
  130008101938
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K05528, KAKENHI-PROJECT-20K15177
[Journal Article] Spin Contamination Errors in DFT+U/Plane-wave Calculations for LixFeF3 Systems (x = 0?1)2021
- Author(s)
  Tada Kohei、Mori Masahiro、Tanaka Shingo
- Journal Title
  
  Chemistry Letters
  
  Volume: 50 Issue: 5 Pages: 1057-1061
- DOI
  10.1246/cl.210040
- NAID
  130008040365
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] Pd2CuCo/C Hybrid with Nanoflower Morphology toward Oxygen Reduction and Formic Acid Oxidation Reactions: Experimental and Computational Studies2021
- Author(s)
 Borah Biraj Jyoti、Goswami Chiranjita、Yamada Yusuke、Tada Kohei、Tanaka Shingo、Bharali Pankaj
- Journal Title
 
 Energy & Fuels
 
 Volume: 35 Issue: 14 Pages: 11515-11524
- DOI
 10.1021/acs.energyfuels.1c00487
- Peer Reviewed / Int'l Joint Research
- Data Source
 KAKENHI-PROJECT-20K15177
[Journal Article] Effect of surface interactions on spin contamination errors of homogeneous spin dimers, chains, and films: model calculations of Au/MgO and Au/BaO systems2020
- Author(s)
  Tada Kohei、Hayashi Akihide、Maruyama Tomohiro、Koga Hiroaki、Yamanaka Shusuke、Okumura Mitsutaka、Tanaka Shingo
- Journal Title
  
  Molecular Physics
  
  Volume: on-line published Issue: 13 Pages: 1-25
- DOI
  10.1080/00268976.2020.1791989
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K15177
[Journal Article] How does the Li-distribution in the 16d sites determine the stability of A3(Li,Ti5)O12 (A = Li and Na)?2020
- Author(s)
  Tada Kohei、Ozaki Hiroyuki、Kiyobayashi Tetsu、Kitta Mitsunori、Tanaka Shingo
- Journal Title
  
  RSC Advances
  
  Volume: 10 Issue: 55 Pages: 33509-33516
- DOI
  10.1039/d0ra06125e
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K05696
[Journal Article] NO-CO Reaction Over Metal-supported Ultrathin Oxide Films: Evaluating Novel Catalysts by Density-functional Theory Calculations2019
- Author(s)
  KOGA Hiroaki、TADA Kohei、HAYASHI Akihide、ATO Yoshinori、OKUMURA Mitsutaka
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 18 Issue: 1 Pages: 1-8
- DOI
  10.2477/jccj.2018-0039
- NAID
  130007602964
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04935, KAKENHI-PROJECT-17H07396
[Journal Article] Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface2019
- Author(s)
  Tada Kohei、Maruyama Tomohiro、Koga Hiroaki、Okumura Mitsutaka、Tanaka Shingo
- Journal Title
  
  Molecules
  
  Volume: 24 Issue: 3 Pages: 505-505
- DOI
  10.3390/molecules24030505
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-17H07396
[Journal Article] Theoretical investigation of the effect of phosphate doping on the aggregation of Au atoms on an Al2O3 (0001) surface2019
- Author(s)
  Tada Kohei、Koga Hiroaki、Sakurai Hiroaki、Tanaka Shingo、Ato Yoshinori、Hayashi Akihide、Kawakami Takashi、Yamanaka Shusuke、Okumura Mitsutaka
- Journal Title
  
  Applied Surface Science
  
  Volume: 465 Pages: 1003-1013
- DOI
  10.1016/j.apsusc.2018.09.172
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
[Journal Article] Estimation of spin contamination error in dissociative adsorption of Au2 onto MgO(001) surface: First application of approximate spin projection (AP) method to plane wave basis2018
- Author(s)
  Kohei Tada, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 印刷中 Pages: 103-108
- DOI
  10.1016/j.cplett.2018.03.064
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
[Journal Article] Stability of Layered Rhodium Octaethylporphyrin in Water Studied by Atomic Force Microscopy2018
- Author(s)
  Yasushi Maeda, Kohei Tada and Shin-ichi Yamazaki
- Journal Title
  
  e-Journal of Surface Science and Nanotechnology
  
  Volume: 印刷中
- NAID
  130007395495
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-15H03853
[Journal Article] Effect of spin contamination error on surface catalytic reaction: NO reduction by core-shell catalysts2018
- Author(s)
  Tada Kohei、Koga Hiroaki、Ato Yoshinori、Hayashi Akihide、Okumura Mitsutaka、Tanaka Shingo
- Journal Title
  
  Molecular Physics
  
  Volume: 印刷中 Issue: 17 Pages: 1-9
- DOI
  10.1080/00268976.2018.1522457
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H07396
[Journal Article] Effect of ceria and zirconia supports on NO reduction over platinum-group metal catalysts: A DFT study with comparative experiments2018
- Author(s)
  KOGA Hiroaki、HAYASHI Akihide、ATO Yoshinori、TADA Kohei、HOSOKAWA Saburo、TANAKA Tsunehiro、OKUMURA Mitsutaka
- Journal Title
  
  Catalysis Today
  
  Volume: 印刷中 Pages: 236-244
- DOI
  10.1016/j.cattod.2018.07.023
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-18K04935, KAKENHI-PROJECT-17H07396, KAKENHI-PROJECT-17K05752
[Journal Article] Clarification of the interaction between Au atoms and the anatase TiO2 (112) surface using density functional theory2018
- Author(s)
  Kohei Tada, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka
- Journal Title
  
  Surface Science
  
  Volume: 670 Pages: 23-32
- DOI
  10.1016/j.susc.2017.12.007
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H07396
[Journal Article] Au Atom Diffusions on Reduced and Cl-Adsorbed Rutile TiO2(110) Surfaces: A DFT + U Study2018
- Author(s)
 Tada Kohei、Koga Hiroaki、Okumura Mitsutaka、Hayashi Akihide、Ato Yoshinori、Kawakami Takashi、Yamanaka Shusuke
- Journal Title
 
 e-J. Surf. Sci. Nanotechnol.
 
 Volume: 16 Issue: 0 Pages: 267-273
- DOI
 10.1380/ejssnt.2018.267
- NAID
 130007396802
- ISSN
 1348-0391
- Year and Date
 2018-06-14
- Language
 English
- Peer Reviewed / Open Access
- Data Source
 KAKENHI-PROJECT-17H07396
[Presentation] 二次電池材料における局所構造と機械的性質の解明2024
- Author(s)
  田中真悟、森正弘、多田幸平
- Organizer
  日本物理学会第78回年次大会
- Data Source
  KAKENHI-PROJECT-20K05696
[Presentation] ジラジカル分子に対する表面吸着効果の検討2023
- Author(s)
  多田幸平、藤丸航志、尾崎弘幸、北河康隆、川上貴資、奥村光隆、田中真悟
- Organizer
  日本化学会第103春季年会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] ジラジカル性に対する表面相互作用の影響解明へ向けた理論研究2023
- Author(s)
  多田幸平、尾崎弘幸、藤丸航志、北河康隆、川上貴資、奥村光隆
- Organizer
  第70回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] ジラジカル分子に対する表面吸着効果の検討2023
- Author(s)
  多田幸平, 藤丸航志, 尾崎弘幸, 北河康隆, 川上貴資, 奥村光隆, 田中真悟
- Organizer
  日本化学会第103春季年会
- Data Source
  KAKENHI-PROJECT-23K23318
[Presentation] ジラジカル性に対する表面相互作用の影響解明へ向けた理論研究2023
- Author(s)
  多田幸平, 尾崎弘幸, 藤丸航志, 北河康隆, 川上貴資, 奥村光隆
- Organizer
  第70回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-23K23318
[Presentation] Au/brookite TiO2界面相互作用に関する研究2022
- Author(s)
  多田幸平、日沼洋陽、市川聡、田中真悟
- Organizer
  第83回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] 第一原理計算による革新電池フッ化鉄系正極材料の局所構造の欠陥効果2021
- Author(s)
  田中真悟、森正弘、多田幸平
- Organizer
  日本物理学会2021年秋季大会
- Data Source
  KAKENHI-PROJECT-20K05696
[Presentation] Development of analysis method for DFT/plane-wave calculations of surfaces with open-shell electronic structures2021
- Author(s)
  Kohei Tada, Hiroyuki Ozaki, Koji Fujimaru, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura
- Organizer
  ISSS9
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] 理論計算に基づくチタン酸スピネル骨格の安定性評価2021
- Author(s)
  多田幸平、尾崎弘幸、清林哲、橘田晃宜、田中真悟
- Organizer
  第８２回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-20K05696
[Presentation] 表面相互作用によるジラジカル性変調に関する理論研究2021
- Author(s)
  多田幸平、尾崎弘幸、藤丸航志、北河康隆、川上貴資、奥村光隆
- Organizer
  2021年日本表面真空学会学術講演会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] 理論計算に基づくチタン酸スピネル骨格の安定性評価2021
- Author(s)
  多田幸平、尾崎弘幸、清林哲、橘田晃宜、田中真悟
- Organizer
  第８２回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] Au/NiO触媒によるアリルアルコール異性化反応における担体表面効果に関する理論研究2021
- Author(s)
  藤丸航志、奥村光隆、多田幸平、徳永信
- Organizer
  応用物理学会関西支部2021年度第２回講演会
- Data Source
  KAKENHI-PROJECT-20K15177
[Presentation] 線形応答関数を用いた岩塩型化合物表面モデルの層厚最適化と格子酸素欠陥の安定性予測2019
- Author(s)
  丸山智大、大成仁太、多田幸平、川上貴資、山中秀介、奥村光隆
- Organizer
  日本化学会第99春季年会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 表面化学反応のDFT計算におけるスピン混入誤差と静的電子相関に関する考察2019
- Author(s)
  多田幸平、丸山智大、古賀裕明、奥村光隆、田中真悟
- Organizer
  第66回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] Au/AlPO4触媒の耐久性の理論計算による予測とその検証2019
- Author(s)
  多田幸平、古賀裕明、櫻井宏昭、田中真悟、安渡佳典、林亮秀、川上貴資、山中秀介、奥村光隆
- Organizer
  第123回触媒討論会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] ジルコニア超薄膜で覆われた同表面におけるNO-CO触媒反応―密度汎関数計算による検討―2019
- Author(s)
  古賀裕明、多田幸平、林亮秀、安渡佳典、奥村光隆
- Organizer
  第123回触媒討論会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] Estimation of Spin Contamination Errors on Surface Reactions: Application of Approximate spin Projection method to UDFT/PAW method2018
- Author(s)
  Kohei Tada, Hiroaki Koga, Mitsutaka Okumura, Shingo Tanaka
- Organizer
  The 58th Sanibel Symposium
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] Theoretical investigation of effects of spin contamination error on DFT calculations for core-shell catalyst models2018
- Author(s)
  Kohei Tada, Hiroaki Koga, Yoshinori Ato, Akihide Hayashi, Mitsutaka Okumura, Shingo Tanaka
- Organizer
  TOCAT8
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 分子/表面相互作用が二量化反応のスピン混入誤差に与える影響2018
- Author(s)
  多田幸平、古賀裕明、丸山智大、安渡佳典、林亮秀、奥村光隆、田中真悟
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 表面化学反応のDFT計算におけるスピン混入誤差に関する検討2018
- Author(s)
  多田幸平、古賀裕明、奥村光隆、田中真悟
- Organizer
  第65回応用物理学会春季学術講演会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 線形応答関数を用いた固体表面シミュレーションのためのスラブモデリング法の理論的研究2018
- Author(s)
  丸山智大、大成仁太、多田幸平、川上貴資、山中秀介、奥村光隆
- Organizer
  第12回分子科学討論会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 不均一系触媒のDFT計算におけるスピン混入誤差の影響2018
- Author(s)
  多田幸平、古賀裕明、丸山智大、安渡佳典、林亮秀、奥村光隆、田中真悟
- Organizer
  第122回触媒討論会
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] 炭素電極担持Rhポルフィリン錯体の電子状態解析2017
- Author(s)
  多田幸平、前田泰、山崎眞一、田中真悟
- Organizer
  第２０回理論化学討論会
- Data Source
  KAKENHI-PROJECT-15H03853
[Presentation] 耐 CO アノード用 Rh ポルフィリン触媒による CO 酸化機構に対する理論的研究2017
- Author(s)
  多田幸平・田中真悟・前田泰・山崎眞一
- Organizer
  第119回触媒討論会
- Place of Presentation
  首都大学東京南大沢キャンパス (東京)
- Data Source
  KAKENHI-PROJECT-15H03853
[Presentation] Theoretical investigation on Rh porphyrin electrocatalyst for CO-tolerance anode of PEFC2017
- Author(s)
  Kohei Tada
- Organizer
  Mini-symposium on interplay between experimental coordination chemistry and theoretical coordination chemistry
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15H03853
[Presentation] Au atom diffusions on reduced and Cl-adsorbed rutile TiO2 (110) surfaces: A DFT+U study2017
- Author(s)
  Kohei Tada, Hiroaki Koga, Akihide Hayashi, Yoshinori Ato, Takashi Kawakami, Shusuke Yamanaka, Shingo Tanaka, Mitsutaka Okumura
- Organizer
  The 8th International Symposium on Surface Science
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-17H07396
[Presentation] Rhポルフィリン錯体/カーボン電極間相互作用に関する理論研究2017
- Author(s)
  多田幸平、尾崎弘幸、前田泰、山崎眞一、田中真悟
- Organizer
  第１１回分子科学討論会
- Data Source
  KAKENHI-PROJECT-15H03853
[Presentation] 耐COアノード用Rhポルフィリン錯体の触媒機構解明に関するDFT計算2017
- Author(s)
  多田幸平、田中真悟、前田泰、山崎眞一
- Organizer
  第１２０回触媒討論会
- Data Source
  KAKENHI-PROJECT-15H03853
[Presentation] 金二量体の解離吸着状態におけるスピン混入誤差の算出と除去2017
- Author(s)
  多田幸平、古賀裕明、奥村光隆、田中真悟
- Organizer
  第78回応用物理学会秋季学術講演会
- Data Source
  KAKENHI-PROJECT-17H07396

1. Tanaka Shingo (50357448)

# of Collaborated Projects: 2 results

# of Collaborated Products: 10 results
2. 竹市信彦 (40357398)

# of Collaborated Projects: 2 results

# of Collaborated Products: 0 results
3. Yamazaki Shin-ichi (80371087)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
4. 前田泰 (30357983)

# of Collaborated Projects: 1 results

# of Collaborated Products: 5 results
5. 朝日将史 (90612169)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 秋田知樹 (80356344)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 北河康隆 (60362612)

# of Collaborated Projects: 1 results

# of Collaborated Products: 3 results
8. 岸亮平 (90452408)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 片岡理樹 (20737994)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 本下晶晴 (50371084)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 横井崚佑 (80849894)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 川上貴資

# of Collaborated Projects: 0 results

# of Collaborated Products: 2 results
13. 古賀裕明

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results
14. 奥村光隆

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Tada Kohei 多田 幸平

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表面による開殻分子性制御理論の確立とデータ駆動型複合界面研究への展開Principal Investigator

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次世代材料開発を先導するプロアクティブデザインによるNaイオン電池開発

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In silico design of innovative functional materials bearing bistability based on d-pi electron hybrid systems

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Elucidation of local structures and mechanical properties in secondary battery materials and development of methods to establish design guidelines

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Development of high-accurate first-principle calculation methods for surface science and the application to material science: Building the foundation for the data-driven surface sciencePrincipal Investigator

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Clarification of effects of spin contamination error on surface reactions via development of approximate spin projection schemePrincipal Investigator

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Mechanistic analysis of metallocomplex-based electrocatalysts

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[Journal Article] Mechanism of Reductive Fluorination by PTFE-Decomposition Fluorocarbon Gases for WO32023

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[Journal Article] Issues on DFT+U calculations of organic diradicals2023

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[Journal Article] CeO2 promotes electrocatalytic formic acid oxidation of Pd-based alloys2023

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[Journal Article] Investigation of the Interaction Between Au and Brookite TiO2 Using Transmission Electron Microscopy and Density Functional Theory2023

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[Journal Article] Properties of spinel-type Ti?Li?M composite oxides (M = Li, Na, Cu, and Ag) predicted by density functional theory2022

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[Journal Article] Diradical Characters of s-Indaceno[1,2,3-cd;5,6,7-c’d’]Diphenalene with and without Interaction with MgO(001)2022

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[Journal Article] 表面ジラジカル性の解析技術の開発と表面吸着効果の理論検討2022

Tada Kohei 多田幸平