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萩原聡

Hagiwara, Satoshi

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

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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. 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)
3. Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization Kuroda, Fumiaki; Hagiwara, Satoshi; Otani, Minoru
PHYSICAL REVIEW MATERIALS 7: 115402-1 (2023)
4. Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface Hagiwara, Satoshi; Kuroda, Fumiaki; Kondo, Takahiro; Otani, Minoru
ACS Appl. Mater. Interfaces 15: 50174 (2023) Semantic Scholar
5. 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
6. Boron monosulfide as an electrocatalyst for the oxygen evolution reaction Li, Linghui; Hagiwara, Satoshi; Jiang, Cheng; Kusaka, Haruki (+8 著者) Kondo, Takahiro
CHEMICAL ENGINEERING JOURNAL 471: 144489 (2023)
7. Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations Satoshi Hagiwara; Satomichi Nishihara; Fumiaki Kuroda; Minoru Otani
Physical Review Materials (2022) Semantic Scholar
8. 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
9. Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory Satoshi Hagiwara; Yasunobu Ando; Yuta Goto; Susumu ShinokiMinoru Otani
Physical Review Materials 6: (2022)
10. Theoretical Consideration of Side Reactions between the VS₄ Electrode and Carbonate Solvents in Lithium–metal Polysulfide Batteries Satoshi HAGIWARA; Jun HARUYAMA; Minoru OTANI; Yuki UMEMURA (+1 著者) Hikari SAKAEBE
Electrochemistry (2022) Semantic Scholar
11. 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
12. 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
13. Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms Alex M. Maldonado; Satoshi Hagiwara; Tae Hoon Choi; Frank Eckert (+3 著者) John A. Keith
The Journal of Physical Chemistry A 125: 154 (2021) Semantic Scholar
14. Time-Dependent Multicomponent Density Functional Theory for Coupled Electron-Positron Dynamics Yasumitsu Suzuki; Satoshi Hagiwara; Kazuyuki Watanabe
Physical Review Letters 121: (2018) Semantic Scholar
15. Real-time first-principles simulations of thermionic emission from N-doped diamond surfaces Tomoki Shinozaki; Satoshi Hagiwara; Naoya Morioka; Yuji KimuraKazuyuki Watanabe
Applied Physics Express 11: 064301 (2018) Semantic Scholar
16. Experimental and computational studies of positron-stimulated ion desorption from TiO2(1 1 0) surface T Yamashita; S Hagiwara; T Tachibana; K WatanabeY Nagashima
Materials Research Express 4: 116303 (2017) Semantic Scholar
17. Anisotropic electronic band structure of intrinsic Si(110) studied by angle-resolved photoemission spectroscopy and first-principles calculations Stephane Yu Matsushita; Akari Takayama; Erina Kawamoto; Chunping Hu (+3 著者) Shozo Suto
Physical Review B 96: (2017) Semantic Scholar
18. First-Principles Study on Positron States at Li-Adsorbed Al(100) Surfaces: Effect of Electron-Positron Correlation Satoshi Hagiwara; Yasumitsu Suzuki; Kazuyuki Watanabe
Defect and Diffusion Forum 373: 46 (2017) Semantic Scholar
19. Positron States at Li- and O-adsorbed Fe(001) Ferromagnetic Surfaces Studied by Two-Component Density Functional Theory Satoshi Hagiwara; Kazuyuki Watanabe
Journal of the Physical Society of Japan 85: 114703 (2016) Semantic Scholar
20. Spin-polarized annihilation lifetime of positron of d0ferromagnetism in gallium nitride: A two-component density functional theory simulation Satoshi Hagiwara; Yasumitsu Suzuki; Kazuyuki Watanabe
Applied Physics Express 9: 041001 (2016) Semantic Scholar

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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. 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
3. 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
4. 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)
5. Development of highly stable r-BS+G electrocatalyst for the oxygen evolution reaction 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
表面界面スペクトロスコピー2023
6. 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)
7. 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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