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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

オープンアクセス版の論文は「つくばリポジトリ」で読むことができます。

41. 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
42. Polyanthraquinone as a Reliable Organic Electrode for Stable and Fast Lithium Storage Zhiping Song; Yumin Qian; Mikhail L. Gordin; Duihai Tang (+4 著者) Donghai Wang
Angewandte Chemie International Edition 127: 13947 (2015)
43. Potential-Induced Electronic Structure Changes in Supercapacitor Electrodes Observed by In Operando Soft X-Ray Spectroscopy Minoru Otani
Advanced Materials 27: (2015) Semantic Scholar
44. Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers Junhao Lin; Ovidiu Cretu; Wu Zhou; Kazu Suenaga (+13 著者) Sokrates T. Pantelides
Microscopy and Microanalysis 20: 1760 (2014) Semantic Scholar
45. A method of orbital analysis for large-scale first-principles simulations Tsukuru Ohwaki; Minoru Otani; Taisuke Ozaki
The Journal of Chemical Physics 140: 244105 (2014) Semantic Scholar
46. A quinone-based oligomeric lithium salt for superior Li–organic batteries Zhiping Song; Yumin Qian; Xizheng Liu; Tao Zhang (+3 著者) Haoshen Zhou
Energy & Environmental Science 7: 4077 (2014) Semantic Scholar
47. Effect of thermal motion on catalytic activity of nanoparticles in polar solvent Bonnet, Nicephore; Sugino, Osamu; Otani, Minoru
The Journal of Chemical Physics 140: 5 (2014) Semantic Scholar
48. Electrochemical reduction of an anion for ionic-liquid molecules on a lithium electrode studied by first-principles calculations Yasunobu Ando; Yoshiumi Kawamura; Tamio Ikeshoji; Minoru Otani
Chemical Physics Letters 612: 240 (2014) Semantic Scholar
49. First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes Brandon C. Wood; Tadashi Ogitsu; Minoru Otani; Juergen Biener
The Journal of Physical Chemistry C 118: 4 (2014) Semantic Scholar
50. Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers Lin, Junhao; Cretu, Ovidiu; Zhou, Wu; Suenaga, Kazu (+13 著者) Pantelides, Sokrates T.
Nature Nanotechnology 9: 436 (2014) Semantic Scholar
51. Study of the lithium/nickel ions exchange in the layered LiNi0.42Mn0.42Co0.16O2 cathode material for lithium ion batteries: experimental and first-principles calculations Haijun Yu; Yumin Qian; Minoru Otani; Daiming Tang (+2 著者) Haoshen Zhou
Energy & Environmental Science 7: 1068 (2014) Semantic Scholar
52. Vibrational Dynamics of Sulfate Anion Adsorption on Pt(111) Surface: Ab Initio Molecular Dynamics Simulations Yumin Qian; Tamio Ikeshoji; Yuan-yuan Zhao; Minoru Otani
ChemElectroChem 1: 1632 (2014) Semantic Scholar
53. Gate-induced electron-state tuning of MoS2: first-principles calculations Minoru Otani
Journal of Physics: Condensed Matter 26: (2014) Semantic Scholar
54. In Operando Soft X-ray Spectroscopy of 3D Graphene Supercapacitor Electrodes Bagge-Hansen, M.; Wood, B. C.; Ogitsu, T.; Willey, T. M. (+12 著者) Lee, J. I.
(2014)
55. Self-Poisoning Dynamical Effects in the Oxygen Reduction Reaction on Pt(111) from a Top-Down Kinetic Analysis Minoru Otani
The Journal of Physical Chemistry C 118: (2014) Semantic Scholar
56. Absence of edge states near the 120∘ corners of zigzag graphene nanoribbons Cuong Nguyen Thanh; Otani Minoru; Okada Susumu
Physical Review B 87: 5 (2013) Semantic Scholar
57. Biased interface between solid ion conductor LiBH ₄ and lithium metal: A first principles molecular dynamics study Tamio Ikeshoji; Yasunobu Ando; Minoru Otani; Eiji Tsuchida (+2 著者) Shin-ichi Orimo
Applied Physics Letters 103: 4 (2013) Semantic Scholar
58. Charge Manipulation in Molecules Encapsulated Inside Single-Wall Carbon Nanotubes Yanagi, Kazuhiro; Moriya, Rieko; Nguyen Thanh Cuong; Otani, MinoruOkada, Susumu
Physical Review Letters 110: 5 (2013) Semantic Scholar
59. High-Efficiency Photoelectric Conversion in Graphene--Diamond Hybrid Structures: Model and First-Principles Calculations Konabe Satoru; Cuong Nguyen Thanh; Otani Minoru; Okada Susumu
Applied Physics Express 6: 4 (2013) Semantic Scholar
60. Highly Ordered Cobalt-Phthalocyanine Chains on Fractional Atomic Steps: One-Dimensionality and Electron Hybridization Tanaka, Yusuke; Mishra, Puneet; Tateishi, Ryusei; Nguyen Thanh Cuong (+4 著者) Sakamoto, Kazuyuki
ACS Nano 7: 1317 (2013) 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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