- 論文・発表
[研究論文] |[書籍] |[会議録] |[口頭発表] |[特許]
研究論文 TSV
2020
- Kota Murakami, Yuta Tanaka, Ryuya Sakai, Kenta Toko, Kazuharu Ito, Atsushi Ishikawa, Takuma Higo, Tomohiro Yabe, Shuhei Ogo, Masatoshi Ikeda, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. The important role of N2H formation energy for low-temperature ammonia synthesis in an electric field. Catalysis Today. 351 (2020) 119-124 10.1016/j.cattod.2018.10.055
- Satoshi Haku, Atsushi Ishikawa, Akira Musha, Hiroyasu Nakayama, Takashi Yamamoto, Kazuya Ando. Surface Rashba-Edelstein Spin-Orbit Torque Revealed by Molecular Self-Assembly. Physical Review Applied. 13 [4] (2020) 10.1103/physrevapplied.13.044069
- Ryuya Sakai, Kota Murakami, Yuta Mizutani, Yuta Tanaka, Sasuga Hayashi, Atsushi Ishikawa, Takuma Higo, Shuhei Ogo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. Agglomeration Suppression of a Fe-Supported Catalyst and its Utilization for Low-Temperature Ammonia Synthesis in an Electric Field. ACS Omega. 5 [12] (2020) 6846-6851 10.1021/acsomega.0c00170
- Atsushi Ishikawa, Yoshitaka Tateyama. What Is the Active Site for the Oxidative Coupling of Methane Catalyzed by MgO? A Metadynamics-Biased Ab Initio Molecular Dynamics Study. The Journal of Physical Chemistry C. 124 [11] (2020) 6054-6062 10.1021/acs.jpcc.9b09959
- Kota Murakami, Shuhei Ogo, Atsushi Ishikawa, Yuna Takeno, Takuma Higo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. Heteroatom doping effects on interaction of H2O and CeO2 (111) surfaces studied using density functional theory: Key roles of ionic radius and dispersion. The Journal of Chemical Physics. 152 [1] (2020) 014707 10.1063/1.5138670
2019
- Atsushi Ishikawa, Keitaro Sodeyama, Yasuhiko Igarashi, Tomofumi Nakayama, Yoshitaka Tateyama, Masato Okada. Machine learning prediction of coordination energies for alkali group elements in battery electrolyte solvents. Physical Chemistry Chemical Physics. 21 [48] (2019) 26399-26405 10.1039/c9cp03679b
- Kota Murakami, Yuta Tanaka, Sasuga Hayashi, Ryuya Sakai, Yudai Hisai, Yuta Mizutani, Atsushi Ishikawa, Takuma Higo, Shuhei Ogo, Jeong Gil Seo, Hideaki Tsuneki, Hiromi Nakai, Yasushi Sekine. Governing factors of supports of ammonia synthesis in an electric field found using density functional theory. The Journal of Chemical Physics. 151 [6] (2019) 064708 10.1063/1.5111920
- Atsushi Ishikawa, Yoshitaka Tateyama. Reaction energy benchmarks of hydrocarbon combustion by Gaussian basis and plane wave basis approaches. Journal of Computational Chemistry. 40 [20] (2019) 1866-1873 10.1002/jcc.25838
2018
- Atsushi Ishikawa, Yoshitaka Tateyama. First-Principles Microkinetic Analysis of NO + CO Reactions on Rh(111) Surface toward Understanding NOx Reduction Pathways. The Journal of Physical Chemistry C. 122 [30] (2018) 17378-17388 10.1021/acs.jpcc.8b05906
- Shuhei Ogo, Hideaki Nakatsubo, Kousei Iwasaki, Ayaka Sato, Kota Murakami, Tomohiro Yabe, Atsushi Ishikawa, Hiromi Nakai, Yasushi Sekine. Electron-Hopping Brings Lattice Strain and High Catalytic Activity in the Low-Temperature Oxidative Coupling of Methane in an Electric Field. The Journal of Physical Chemistry C. 122 [4] (2018) 2089-2096 10.1021/acs.jpcc.7b08994
書籍 TSV
会議録 TSV
口頭発表 TSV
2020
- 白 怜士, 石川 敦之, 武者 輝, 中山 裕康, 山本 崇史, 安藤 和也. 白金表面におけるRashba-Edelstein効果に誘起されたスピン軌道トルクの自己組織化有機分子膜による変化の観測. Spin-RNJ 若手オンライン研究発表会. 2020
- 石川 敦之. 第一原理計算と反応速度論による不均一系触媒反応の活性予測. 日本化学会第100春季年会. 2020
2019
- ISHIKAWA, Atsushi. Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide. The 5th EMN Meeting on Computation and Theory. 2019
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. The Oxidative Coupling of Methane Catalyzed by MgO; A First-Principle Based Microkinetics and Ab-initio Molecular Dynamics Study. 22nd Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-22). 2019
- 石川 敦之. 第一原理計算と反応速度論の融合による触媒活性の理論的予測. 第124回触媒討論会. 2019
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. Density Functional Theory-Based Microkinetic Analysis of Oxidative Coupling of Methane Catalyzed by Pure and Lithium-Doped Magnesium Oxide. EuropaCat2019. 2019
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. Density functional theory-based microkinetic analysis of oxidative coupling of methane catalyzed by pure and lithium-doped magnesium oxide. The 8th Asia Pacific Congress on Catalysis. 2019
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis. Spring 2019 ACS National Meeting. 2019
- 石川 敦之, 館山 佳尚. 第一原理計算と微視的反応速度論に基づいた理論計算によるメタン酸化カップリングの活性および選択性の理論予測. 第123回触媒討論会. 2019
- 石川 敦之. 第一原理計算と反応速度論による触媒活性および選択性の予測. 次世代ESICBセミナー2019-1. 2019
2018
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. 第一原理計算と微視的反応速度論に基づく理論計算によるメタン酸化カップリングの活性と選択性の予測. 第122回触媒討論会. 2018
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. 第一原理計算•微視的反応論•反応工学に基づくメタン酸化カップリング活性と選択性の理論予測. 第12回分子科学討論会. 2018
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. NO + CO Reaction on Rh Surface: First Principle Density Functional Theory Investigation Combined with Microkinetic Analysis. Pre-conference of TOCAT8 and 5th International Symposium of ICAT. 2018
- ISHIKAWA, Atsushi, TATEYAMA, Yoshitaka. NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis. The 7th JCS (Japan-Czech-Slovak) Symposium. 2018
2017
- ISHIKAWA, Atsushi, SODEYAMA, Keitaro, TATEYAMA, Yoshitaka. NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis. Car-Parrinello Molecular Dynamics in 2017. 2017