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大谷実

Otani, Minoru

計算科学研究センター , 教授
Center for Computational Sciences , Professor

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21. Study on the free corrosion potential at an interface between an Al electrode and an acidic aqueous NaCl solution through density functional theory combined with the reference interaction site model Koichi Kano; Satoshi Hagiwara; Takahiro Igarashi; Minoru Otani
Electrochimica Acta 377: 138121 (2021) Semantic Scholar
22. Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms Maldonado, Alex M.; Hagiwara, Satoshi; Choi, Tae Hoon; Eckert, Frank (+3 著者) Keith, John A.
The Journal of Physical Chemistry A 125: (2021) Semantic Scholar
23. Capacitive versus Pseudocapacitive Storage in MXene Ando, Yasunobu; Okubo, Masashi; Yamada, Atsuo; Otani, Minoru
Advanced Functional Materials 30: (2020) Semantic Scholar
24. Structural Variation in Carbonate Electrolytes by the Addition of Li Salts Studied by X‐Ray Total Scattering Koji Kimura; Kouichi Hayashi; Hisao Kiuchi; Masahito Morita (+10 著者) Eiichiro Matsubara
Physica Status Solidi (B) 257: 2000100 (2020) Semantic Scholar
25. Towards Engineering of Solution Microenvironments for the CO ₂ Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory Stephen E Weitzner; Sneha A Akhade; Joel B. Varley; Brandon C. Wood (+2 著者) Minoru Otani
Journal of Physical Chemistry Letters 11: 4113 (2020) Semantic Scholar
26. Two-Phase Reaction Mechanism for Fluorination and Defluorination in Fluoride-Shuttle Batteries: A First-Principles Study Minoru Otani
ACS Applied Materials & Interfaces (2020) Semantic Scholar
27. Dense Charge Accumulation in MXene with a Hydrate-Melt Electrolyte Kim, Kijae; Kim, Kijae; Ando, Yasunobu; Ando, Yasunobu (+11 著者) Yamada, Atsuo
Chemistry of Materials 31: 5190 (2019) Semantic Scholar
28. Specific ion effects at graphitic interfaces Cheng Zhan; Maira R. Cerón; Steven A. Hawks; Minoru Otani (+3 著者) Patrick G. Campbell
Nature Communications 10: (2019) Semantic Scholar
29. Negative dielectric constant of water confined in nanosheets Akira Sugahara; Yasunobu Ando; Satoshi Kajiyama; Koji Yazawa (+3 著者) Atsuo Yamada
Nature Communications 10: (2019) Semantic Scholar
30. Analysis of Lithium Insertion/Desorption Reaction at Interfaces between Graphite Electrodes and Electrolyte Solution Using Density Functional + Implicit Solvation Theory Jun Haruyama; Tamio Ikeshoji; Minoru Otani
The Journal of Physical Chemistry C 122: 9804 (2018) Semantic Scholar
31. Origins and Implications of Interfacial Capacitance Enhancements in C-60-Modified Graphene Supercapacitors Zhan, Cheng; Tuan Anh Pham; Ceron, Maira R.; Campbell, Patrick G. (+5 著者) Biener, Monika
ACS Applied Materials & Interfaces 10: 36860 (2018) Semantic Scholar
32. Li deposition and desolvation with electron transfer at a silicon/propylene-carbonate interface: transition-state and free-energy profiles by large-scale first-principles molecular dynamics Tsukuru Ohwaki; Taisuke Ozaki; Yukihiro Okuno; Tamio Ikeshoji (+1 著者) Minoru Otani
Physical Chemistry Chemical Physics 20: 11586 (2018) Semantic Scholar
33. Electrode potential from density functional theory calculations combined with implicit solvation theory Minoru Otani
Physical Review Materials (2018) Semantic Scholar
34. Erratum: Improved modeling of electrified interfaces using the effective screening medium method (Physical Review B - Condensed Matter and Materials Physics (2013) 88 (155427) DOI: 10.1103/PhysRevB.88.155427) Ikutaro Hamada; Osamu Sugino; Nicéphore Bonnet; Minoru Otani
Physical Review B 88: (2017) Semantic Scholar
35. Improved modeling of electrified interfaces using the effective screening medium method (Vol 88,155427, 2013) Minoru Otani
Physical Review B 95: (2017) Semantic Scholar
36. Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory S. Nishihara; M. Otani
Physical Review B 96: 115429 (2017) Semantic Scholar
37. Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations Tamio Ikeshoji; Minoru Otani
Physical Chemistry Chemical Physics 19: 4447 (2017) Semantic Scholar
38. First-principles molecular dynamics simulation for electrochemical hydrogen production by 4,4′-bipyridine molecular catalyst on silver electrode Tamio Ikeshoji; Taro Uchida; Minoru Otani; Masatoshi Osawa
Journal of Electroanalytical Chemistry 800: 13 (2017) Semantic Scholar
39. Stable Li-Organic Batteries with Nafion-Based Sandwich-Type Separators Zhiping Song; Yumin Qian; Minoru Otani; Haoshen Zhou
Advanced Energy Materials 6: 1501780 (2016) Semantic Scholar
40. Poly(benzoquinonyl sulfide) as a High-Energy Organic Cathode for Rechargeable Li and Na Batteries Zhiping Song; Yumin Qian; Tao Zhang; Minoru OtaniHaoshen Zhou
Advanced Science 2: 1500124 (2015) Semantic Scholar

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1. First-principles study on oxygen and selenium under high pressures Otani, Minoru
2000年3月

1. Enhancing the Stability of r-BS+G Electrocatalyst for Efficient Oxygen Evolution Reaction Li, L.; Hagiwara, S.; Jiang, C.; H. Kusaka; N. Watanabe; Fujita, T.; Kuroda, F.; Yamamoto, A.; M. Miyakawa; T. Taniguchi; H. Hosono; Otani, M.; KONDO, Takahiro
The 18th International Symposium on Metal-Hydrogen Systems, (MH2024)
2. Study of electrochemical interfaces using DFT and the classical liquid theory hybrid simulations OTANI, Minoru
244th ECS Meeting Electrochemical Society 招待有り
3. 第一原理計算+古典溶液理論による rBS/アルカリ水溶液界面におけるOER 反応の研究大谷, 実
第84回応用物理学会秋季学術講演会応用物理学会招待有り
4. 第一原理計算+古典溶液理論による菱面体硫化ホウ素電極/アルカリ水溶液界面における酸素発生反応の研究萩原, 聡; 黒田, 文彬; Linghui, Li; 近藤, 剛弘; 大谷, 実
日本物理学会第78回年次大会
5. Boron monosulfides: a promising material used as the electrocatalyst for the oxygen evolution reaction Linghui, Li; Satoshi, Hagiwara; Cheng, Jiang; Haruki, Kusaka; Norinobu, Watanabe; Takeshi, Fujita; Fumiaki, Kuroda; Akiyasu, Yamamoto; Masashi, Miyakawa; Takashi, Taniguchi; Hideo, Hosono; Minoru, Otani; 近藤, 剛弘
Annual Meeting of the Japan Society of Vacuum and Surface Science 2023
6. r-BS as a promising high performance with strong durability metalfree electrocatalyst for OER Li, Linghui; Hagiwara, Satoshi; Jiang, Cheng; Kusaka, Haruki; Watanabe, Norinobu; Fujita, Takeshi; Kuroda, Fumiaki; Yamamoto, Akiyasu; Miyakawa, Masashi; Taniguchi, Takashi; Hosono, Hideo; Otani, Minoru; Kondo, Takahiro
Materials Research Meeting 2023 (MRM2023/IUMRS-ICA2023)
7. Enhancing the Stability of rBS+G Electrocatalyst for Efficient Oxygen Evolution Reaction L., Li; C., Jiang; H., Kusaka; N; Watanabe; T., Fujita; F., Kuroda; A., Yamamoto; M., Miyakawa; T., Taniguchi; H., Hosono; M., Otani; 近藤, 剛弘
第16回日本ホウ素・ホウ化物研究会
8. 優れた安定性を持つ酸素発生反応触媒r−BS＋G 李, 玲慧; 萩原, 聡; 姜, 澄; 日下, 陽貴; 渡邉, 範陳; 藤田, 武志; 黒田, 文彬; 山本, 明保; 宮川, 仁; 谷口, 尚; 细野, 秀雄; 大谷, 実; 近藤, 剛弘
日本化学会第104春季年会(2024)
9. 第一原理計算と溶液理論の融合による電気化学界面シミュレーション：電池材料や腐食への応用大谷, 実
固体イオニクス研究会招待有り
10. 固液界面における電気化学・触媒反応のシミュレーション技術開発と最近の適用研究大谷, 実
理研シンポジウム: 計算で物事を理解する予測する招待有り
11. r-BS as a promising high-performance metal-free electrocatalyst for OER Linghui, Li; Satoshi, Hagiwara; Cheng, Jiang; Haruki, Kusaka; Norinobu, Watanabe; Takeshi, Fujita; Akiyasu, Yamamoto; Masashi, Miyakawa; Takashi, Taniguchi; Hideo, Hosono; Fumiaki, Kuroda; Minoru, Otani; Takahiro, Kondo
第15回日本ホウ素・ホウ化物研究会

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