Ishikawa Atsushi 石川敦之

Researcher Number	80613893
Other IDs	https://orcid.org/0000-0001-6908-831X
Affiliation (Current)	2024: 東京科学大学, 環境・社会理工学院, 准教授
Affiliation (based on the past Project Information) *help	2023 – 2024: 東京工業大学, 環境・社会理工学院, 准教授 2022: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究拠点, 主任研究員 2017: 国立研究開発法人物質・材料研究機構, エネルギー・環境材料研究拠点, オープンラボ研究員 2016 – 2017: 早稲田大学, 理工学術院, 次席研究員(研究院講師) 2014 – 2015: 早稲田大学, 理工学術院, 講師
Review Section/Research Field	Principal Investigator Physical chemistry / Nanostructural chemistry Except Principal Investigator Medium-sized Section 28:Nano/micro science and related fields / Physical chemistry
Keywords	Principal Investigator 反応速度論 / 触媒・化学プロセス / 第一原理計算 / 触媒反応 / 量子化学 / 化学工学 / 表面 / 還元 / ロジウム / 自動車排ガス … More / 理論計算 / 不均一系触媒 / 酸化・還元反応 / ナノ粒子 / 密度汎関数理論 / 電子状態 / 触媒化学 / 理論化学 / 電極反応 / 電気化学 / 溶液 / 触媒 / 材料化学 / 計算科学 / 炭素材料 / 触媒担体 / CO酸化 / 溶液内反応 / 不均一系 / 均一系 / グラフェン … More Except Principal Investigator 単分子 / 炭素ナノ構造体 / 走査型トンネル顕微鏡 / 原子間力顕微鏡 / グラフェンナノリボン / 磁性 / 表面反応 / COF / 走査型プローブ顕微鏡 / 表面化学 / 熱・統計力学 / 酸・塩基反応 / 生体分子 / 化学工学 / 溶液 / 電気化学 / 気液平衡 / 量子化学 / 遷移金属錯体 / CO2化学吸収法 / Henry定数 / 溶媒効果 / 熱力学量 / 量子化学計算 Less

超精密表面化学反応の開発と炭素ナノ構造体の磁性開拓
- Principal Investigator
  
  川井茂樹
- Project Period (FY)
  2022 – 2024
- Research Category
  
  Grant-in-Aid for Scientific Research (A)
- Review Section
  
  Medium-sized Section 28:Nano/micro science and related fields
- Research Institution
  National Institute for Materials Science
Temperature and pressure dependent chemical kinetics from ab initio electronic structure calculation and its application to heterogeneous catalystsPrincipal Investigator
- Principal Investigator
  
  ishikawa atsushi
- Project Period (FY)
  2016 – 2017
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Physical chemistry
- Research Institution
  National Institute for Materials Science
  Waseda University
Development of accurate quantumchemical computation method for condensed-phase therodynamic properies
- Principal Investigator
  
  NAKAI Hiromi
- Project Period (FY)
  2015 – 2017
- Research Category
  
  Grant-in-Aid for Challenging Exploratory Research
- Research Field
  
  Physical chemistry
- Research Institution
  Waseda University
Large scale theoretical method intended for graphene and heterographenes for material sciencePrincipal Investigator
- Principal Investigator
  
  Ishikawa Atsushi
- Project Period (FY)
  2014 – 2015
- Research Category
  
  Grant-in-Aid for Young Scientists (B)
- Research Field
  
  Nanostructural chemistry
- Research Institution
  Waseda University

All 2022 2018 2017 2016 2015 2014 Other

All Journal Article Presentation

[Journal Article] Catalytic performance of Ru, Os, and Rh nanoparticles for ammonia synthesis: A density functional theory analysis2018
- Author(s)
  Ishikawa Atsushi、Doi Toshiki、Nakai Hiromi
- Journal Title
  
  Journal of Catalysis
  
  Volume: 357 Pages: 213-222
- DOI
  10.1016/j.jcat.2017.11.018
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Electron-Hopping Brings Lattice Strain and High Catalytic Activity in Low Temperature Oxidative Coupling of Methane in an Electric Field2018
- Author(s)
  S. Ogo, H. Nakatsubo, K. Iwasaki, A. Sato, K. Murakami, T. Yabe, A. Ishikawa, H. Nakai, Y. Sekine
- Journal Title
  
  J. Phys. Chem. C
  
  Volume: 122 Issue: 4 Pages: 2089-2096
- DOI
  10.1021/acs.jpcc.7b08994
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-17H01344, KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-17H07194, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Density Functional Theory Analysis of Elementary Reactions in NOx Reduction on Rh Surfaces and Rh Clusters2017
- Author(s)
  Deushi Fumiko、Ishikawa Atsushi、Nakai Hiromi
- Journal Title
  
  The Journal of Physical Chemistry C
  
  Volume: 121 Issue: 28 Pages: 15272-15281
- DOI
  10.1021/acs.jpcc.7b04526
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Electrocatalytic synthesis of ammonia by surface proton hopping2017
- Author(s)
  Manabe R.、Nakatsubo H.、Gondo A.、Murakami K.、Ogo S.、Tsuneki H.、Ikeda M.、Ishikawa A.、Nakai H.、Sekine Y.
- Journal Title
  
  Chemical Science
  
  Volume: 8 Issue: 8 Pages: 5434-5439
- DOI
  10.1039/c7sc00840f
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Systematic investigation of thermodynamic properties of amine solvents for CO2 chemical absorption Using the cluster-continuum model2017
- Author(s)
  K. Teranishi, A. Ishikawa, H. Sato, H. Nakai
- Journal Title
  
  Bull. Chem. Soc. Jpn.
  
  Volume: 90 Issue: 4 Pages: 451-460
- DOI
  10.1246/bcsj.20160375
- NAID
  130006770731
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules2016
- Author(s)
  A. Ishikawa, M. Kamata, H. Nakai
- Journal Title
  
  Chem. Phys. Lett.
  
  Volume: 655-656 Pages: 103-109
- DOI
  10.1016/j.cplett.2016.05.041
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629
[Journal Article] Computational Chemistry Studies on CO<sub>2</sub> Chemical Absorption Technique: Challenge on Energy and Environmental Issue2016
- Author(s)
  寺西慶, 石川敦之, 中井浩巳
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 15 Issue: 2 Pages: A15-A29
- DOI
  10.2477/jccj.2016-0010
- NAID
  130005259611
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-16K17860
[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (III): Accurate evaluation of proton hydration energy and standard hydrogen electrode potential2016
- Author(s)
  Atsushi Ishikawa, Hiromi Nakai
- Journal Title
  
  Chemical Physics Letters
  
  Volume: 650 Pages: 159-164
- DOI
  10.1016/j.cplett.2016.03.004
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-26870645, KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-15K13629
[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules2015
- Author(s)
  A. Ishikawa, H. Nakai
- Journal Title
  
  Chem. Phys. Letters
  
  Volume: 624 Pages: 6-11
- DOI
  10.1016/j.cplett.2015.01.054
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-26870645
[Journal Article] Theoretical analysis of the oxidation potentials of organic electrolyte solvents2015
- Author(s)
  M. Okoshi, A. Ishikawa, Y. Kawamura, H. Nakai
- Journal Title
  
  ECS Electrochemistry Letter
  
  Volume: 4 (9) Issue: 9 Pages: A103-A105
- DOI
  10.1149/2.0051509eel
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-15K13629, KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-26870645
[Journal Article] Quantum chemical approach for condensed-phase thermochemistry: Proposal of a harmonic solvation model2014
- Author(s)
  H. Nakai, A. Ishikawa
- Journal Title
  
  J. Chem. Phys.
  
  Volume: 141 Issue: 17 Pages: 174106-174106
- DOI
  10.1063/1.4900629
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-26870645
[Journal Article] Theoretical Study on Excess-Electron Transfer in DNA Based on the Marcus Theory2014
- Author(s)
  Y. Takada, M. Okoshi, M. Hoshino, A. Ishikawa, M. Ishikawa, H. Nakai
- Journal Title
  
  J. Comput. Chem. Jpn.
  
  Volume: 13 Issue: 4 Pages: 242-249
- DOI
  10.2477/jccj.2014-0011
- NAID
  130004694031
- ISSN
  1347-1767, 1347-3824
- Language
  Japanese
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-26248009, KAKENHI-PROJECT-26870645
[Presentation] On-Surface Synthesis of Porphyrin-Complex Multi-Block Co-Oligomers by Defluorinative Coupling2022
- Author(s)
  S. Kawai, A. Ishikawa, S. Ishida, T. Yamakado, Y. Ma, K. Sun, Y. Tateyama, R. Pawlak, E. Meyer, S. Saito, A. Osuka
- Organizer
  THE 22ND INTERNATIONAL VACUUM CONGRESS IVC-22. 2022
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22H00285
[Presentation] RhによるNO+CO反応：密度汎関数法による活性およびそのサイズ効果に関する理論的研究2017
- Author(s)
  石川敦之，出牛史子，中井浩巳
- Organizer
  触媒討論会
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] 理論計算による金属表面・クラスターの反応活性予測2017
- Author(s)
  石川敦之
- Organizer
  触媒学会若手会　第28回フレッシュマンゼミナール
- Invited
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] RhによるNO + CO反応：密度汎関数法による活性およびそのサイズ効果に関する理論的研究2017
- Author(s)
  石川　敦之、出牛　史子、中井　浩己
- Organizer
  触媒討論会
- Place of Presentation
  首都大学東京(東京)
- Year and Date
  2017-03-21
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] NO + CO Reaction on Rh Surface: DFT Investigation Combined with Microkinetic Analysis2017
- Author(s)
  A. Ishikawa, K. Sodeyama, Y. Tateyama
- Organizer
  Car-Parrinello Molecular Dynamics in 2017 (CPMD2017)
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] 金属ナノ粒子による CO 酸化反応に関する理論的研究:CO 被覆率及び担体効果の検討2016
- Author(s)
  石川　敦之、出牛　史子、中井　浩己
- Organizer
  理論化学討論会
- Place of Presentation
  早稲田大学(東京)
- Year and Date
  2016-05-23
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] 金属ナノ粒子によるCO酸化反応に関する理論的研究: CO被覆率及び担体効果に関する検討2016
- Author(s)
  石川敦之
- Organizer
  第117回触媒討論会
- Place of Presentation
  大阪府立大学
- Year and Date
  2016-03-22
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] RhクラスターによるNO還元反応におけるサイズ効果に関する理論的研究2016
- Author(s)
  石川　敦之1,3、中井　浩巳1-4
- Organizer
  次世代天然ガス利用を考える若手勉強会
- Place of Presentation
  成蹊大学(東京)
- Year and Date
  2016-12-17
- Invited
- Data Source
  KAKENHI-PROJECT-16K17860
[Presentation] 金属ナノ粒子によるCO酸化反応に関する理論的研究:CO被覆率及び担体効果に関する検討2016
- Author(s)
  石川敦之、出牛史子、中井浩巳
- Organizer
  第117回触媒討論会
- Place of Presentation
  大阪府立大学
- Year and Date
  2016-03-21
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 金属ナノ粒子によるCO酸化反応に関する理論的研究 : CO被覆率及び担体効果の検討2016
- Author(s)
  石川敦之、中井浩巳
- Organizer
  分子研研究会「触媒の分子科学：理論と実験のインタープレイ最前線」
- 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
  2016-03-09
- Invited
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] Entropy barrier in potential energy curve: a quantum chemical study2016
- Author(s)
  石川敦之、中井浩巳
- Organizer
  日本化学会第96春季年会
- Place of Presentation
  同志社大学　京田辺キャンパス
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] Entropy barrier in potential energy curve: a quantum chemical study2016
- Author(s)
  石川敦之
- Organizer
  日本化学会第96春季年会 (2016)
- Place of Presentation
  同志社大学京田辺キャンパス
- Year and Date
  2016-03-24
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] 量子化学計算による気体の溶解度：調和溶媒和モデルによる検討2015
- Author(s)
  石川敦之
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] Quantum chemical approach for condensed-phase thermochemistry : a harmonic solvation model2015
- Author(s)
  Atsushi Ishikawa, Hiromi Nakai
- Organizer
  Satellite Symposium of ICQC 2015 "Novel computational methods for quantitative electronic structure calculations"
- Place of Presentation
  神戸大学統合研究拠点コンベンションホール
- Year and Date
  2015-06-16
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 理論計算は触媒設計にどのように役立つか？：原理とケーススタディ2015
- Author(s)
  石川敦之
- Organizer
  石油学会JPIJS関東地区討論会
- Place of Presentation
  早稲田大学
- Year and Date
  2015-11-26
- Invited
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] Quantum chemistry calculation for condensed-phase free energy: application to chemical reactions in solution2015
- Author(s)
  Atsushi Ishikawa, Hiromi Nakai
- Organizer
  The International Chemical Congress of Pacific Basin Societies (Pacifichem 2015)
- Place of Presentation
  Honolulu, Hawaii, USA
- Year and Date
  2015-12-15
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 量子化学計算による気体の溶解度：調和溶媒和モデルによる検討2015
- Author(s)
  石川敦之、鎌田将宏、中井浩巳
- Organizer
  第9回分子科学討論会
- Place of Presentation
  東京工業大学　大岡山キャンパス
- Year and Date
  2015-09-16
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 量子化学計算による気体分子の溶解度：調和溶媒和モデルによる検討2015
- Author(s)
  石川敦之、鎌田将宏、中井浩巳
- Organizer
  日本コンピュータ化学会2015春季年会
- Place of Presentation
  東京工業大学
- Year and Date
  2015-05-28
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] Quantum chemical approach for condensed-phase thermochemistry : a harmonic solvation model2015
- Author(s)
  Atsushi Ishikawa
- Organizer
  Satellite Symposium of ICQC 2015 "Novel computational methods for quantitative electronic structure calculations"
- Place of Presentation
  神戸大学統合研究拠点コンベンションホール
- Year and Date
  2015-06-18
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] Quantum chemistry calculation for condensed-phase free energy: application to chemical reactions in solutio2015
- Author(s)
  Atsushi Ishikawa
- Organizer
  The International Chemical Congress of Pacific Basin Societies (Pacifichem 2015)
- Place of Presentation
  Hawaii, USA
- Year and Date
  2015-12-18
- Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] 理論計算は触媒設計にどのように役に立つか？: 原理とケーススタディ2015
- Author(s)
  石川敦之
- Organizer
  石油学会JPIJS関東地区討論会
- Place of Presentation
  早稲田大学
- Year and Date
  2015-11-26
- Invited
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] 量子化学計算による気体分子の溶解度：調和溶媒和モデルによる検討2015
- Author(s)
  石川敦之
- Organizer
  日本コンピュータ化学会2015春季年会
- Place of Presentation
  東京工業大学
- Year and Date
  2015-05-28
- Data Source
  KAKENHI-PROJECT-15K13629
[Presentation] 凝縮系のエンタルピー・エントロピーの量子化学計算：調和溶媒和モデル（HSM）2014
- Author(s)
  石川敦之、中井浩巳
- 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２０１４
- Place of Presentation
  広島大学
- Year and Date
  2014-09-20
- Invited
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] Quantum chemistry calculation for condensed-phase free energy: application to chemical reactions in solution
- Author(s)
  Atsushi Ishikawa
- Organizer
  化学反応討論会
- Place of Presentation
  イーグレ姫路(兵庫県姫路市)
- Year and Date
  2014-06-04 – 2014-06-06
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 量子化学計算による凝縮系のエンタルピー・エントロピー
- Author(s)
  石川敦之、中井浩巳
- Organizer
  日本コンピュータ化学会2014春季年会
- Place of Presentation
  東京工業大学
- Year and Date
  2014-05-29 – 2014-05-30
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 酸化物表面の原子欠陥と金属クラスターの吸着エネルギー：エネルギー密度解析法による理論的研究
- Author(s)
  石川敦之、出牛史子、中井浩巳
- Organizer
  分子科学討論会
- Place of Presentation
  広島大学
- Year and Date
  2014-09-21 – 2014-09-24
- Data Source
  KAKENHI-PROJECT-26870645
[Presentation] 量子化学的手法による凝縮系の熱力学：実践的応用
- Author(s)
  石川敦之、中井浩巳
- Organizer
  理論化学討論会
- Place of Presentation
  名古屋大学
- Year and Date
  2014-05-22 – 2014-05-24
- Data Source
  KAKENHI-PROJECT-26870645

1. NAKAI Hiromi (00243056)

# of Collaborated Projects: 1 results

# of Collaborated Products: 8 results
2. 川井茂樹 (30716395)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
3. Custance Oscar (00444555)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. HILL Jonathan (30421431)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 松本道生 (90843110)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 関根泰

# of Collaborated Projects: 0 results

# of Collaborated Products: 1 results

Ishikawa Atsushi 石川 敦之

Research Projects

Research Products

Co-Researchers

超精密表面化学反応の開発と炭素ナノ構造体の磁性開拓

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Temperature and pressure dependent chemical kinetics from ab initio electronic structure calculation and its application to heterogeneous catalystsPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Development of accurate quantumchemical computation method for condensed-phase therodynamic properies

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

Large scale theoretical method intended for graphene and heterographenes for material sciencePrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Research Field

Research Institution

[Journal Article] Catalytic performance of Ru, Os, and Rh nanoparticles for ammonia synthesis: A density functional theory analysis2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Electron-Hopping Brings Lattice Strain and High Catalytic Activity in Low Temperature Oxidative Coupling of Methane in an Electric Field2018

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Density Functional Theory Analysis of Elementary Reactions in NOx Reduction on Rh Surfaces and Rh Clusters2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Electrocatalytic synthesis of ammonia by surface proton hopping2017

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Systematic investigation of thermodynamic properties of amine solvents for CO2 chemical absorption Using the cluster-continuum model2017

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (IV): Solubility of gaseous molecules2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Computational Chemistry Studies on CO<sub>2</sub> Chemical Absorption Technique: Challenge on Energy and Environmental Issue2016

Author(s)

Journal Title

DOI

NAID

ISSN

Language

Data Source

[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (III): Accurate evaluation of proton hydration energy and standard hydrogen electrode potential2016

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules2015

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Theoretical analysis of the oxidation potentials of organic electrolyte solvents2015

Author(s)

Journal Title

Ishikawa Atsushi 石川敦之

[Presentation] 金属ナノ粒子による CO 酸化反応に関する理論的研究:CO 被覆率及び担体効果の検討2016

[Presentation] RhクラスターによるNO還元反応におけるサイズ効果に関する理論的研究2016