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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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  1. 1. 有効遮蔽媒質法によるバイアス電圧に依存した表面応力の第一原理的研究 萩原, 聡; 石橋章司; 大谷実
      Journal of the Surface Finishing Society of Japan 76: 115 (2025)
  2. 2. Theoretical Analysis of Anion Intercalation Process into Cathode Conductive Carbon Kou Nakamura; Norio Takenaka; Satoshi Hagiwara; Minoru OtaniAtsuo Yamada
      ECS Meeting Abstracts (2024) Semantic Scholar
  3. 3. Bias-dependent surface stress by density functional theory combined with the effective screening medium method Hagiwara, Satoshi; Ishibashi, Shoji; Otani, Minoru
      PHYSICAL REVIEW B 110: 155409-1 (2024) Semantic Scholar
  4. 4. Assessing Ni2(dobpdc) Anchoring for Mitigating Lithium Polysulfide Dissolution in Lithium–Sulfur Batteries Kuan-Yu Lin; Mei-Ru Lai; Minoru Otani; Tsuyoshi MiyazakiJyh-Chiang Jiang
      The Journal of Physical Chemistry C (2024) Semantic Scholar
  5. 5. (Invited) Study of Electrochemical Interfaces Using DFT and the Classical Liquid Theory Hybrid Simulations Minoru Otani
      ECS Meeting Abstracts (2023) Semantic Scholar
  6. 6. Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization Minoru Otani
      Physical Review Materials 7: 115402-1 (2023) Semantic Scholar
  7. 7. Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface Minoru Otani
      ACS Applied Materials & Interfaces 15: 50174 (2023) Semantic Scholar
  8. 8. A Combined Reaction Path Search and Hybrid Solvation Method for the Systematic Exploration of Elementary Reactions at the Solid–Liquid Interface Taisuke, Hasegawa; Satoshi, Hagiwara; Minoru, Otani; Satoshi, Maeda
      Journal of Physical Chemistry Letters 14: 8796 (2023) Semantic Scholar
  9. 9. Computational design of nucleating agents of poly (methyl methacrylate) microcellular foams: "savanna-like" surface structures and their effects on foaming Minoru Otani
      Polymer Engineering & Science 63: 4019 (2023) Semantic Scholar
  10. 10. Boron monosulfide as an electrocatalyst for the oxygen evolution reaction Minoru Otani
      Chemical Engineering Journal 471: 144489 (2023) Semantic Scholar
  11. 11. First-Principles Investigation of Charged Germagraphene as a Cathode Material for Dual-Carbon Batteries Minoru Otani
      ChemSusChem (2023) Semantic Scholar
  12. 12. Theoretical Consideration of Side Reactions between the VS4 Electrode and Carbonate Solvents in Lithium-metal Polysulfide Batteries Minoru Otani
      Electrochemistry (2022) Semantic Scholar
  13. 13. Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations Minoru Otani
      Physical Review Materials (2022) Semantic Scholar
  14. 14. Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene Yasuhiro Oishi; Hirotsugu Ogi; Satoshi Hagiwara; Minoru OtaniKoichi Kusakabe
      ACS Omega 7: 31120 (2022) Semantic Scholar
  15. 15. Relationship between Electric Double-Layer Structure of MXene Electrode and Its Surface Functional Groups Tatau Shimada; Norio Takenaka; Yasunobu Ando; Minoru Otani (+1 著者) Atsuo Yamada
      Chemistry of Materials 34: 2069 (2022) Semantic Scholar
  16. 16. Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory Minoru Otani
      Physical Review Materials 6: (2022)
  17. 17. Thermodynamic Analysis of Li-Intercalated Graphite by First-Principles Calculations with Vibrational and Configurational Contributions Minoru Otani
      The Journal of Physical Chemistry C 125: 27891 (2021)
  18. 18. Computational Investigation of Li-Ion Adsorption on Charged Graphene Irem Alpaslan; Burcu Yılmaz; Minoru Otani; Tatsumi IshiharaTaner Akbay
      ECS Meeting Abstracts (2021) Semantic Scholar
  19. 19. Computational Investigation of Electric Field Driven Lithium Intercalation Into Bilayer Graphene Burcu Yilmaz; Irem Alpaslan; Minoru Otani; Tatsumi IshiharaTaner Akbay
      ECS Meeting Abstracts (2021) Semantic Scholar
  20. 20. Bias-dependent diffusion of a H2O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble Satoshi Hagiwara; Chunping Hu; Satomichi Nishihara; Minoru Otani
      PHYSICAL REVIEW MATERIALS 5: (2021) Semantic Scholar
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  1. 1. First-principles study on oxygen and selenium under high pressures Otani, Minoru
    2000年3月
  1. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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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