OTANI Minoru
- Affiliation
- Center for Computational Sciences
- Official title
- Professor
- ORCID
- 0000-0002-2074-2832
- URL
- Research fields
Condensed matter physics II - Research keywords
Electrochemistry Compuatational Materials Physics - Research projects
物理-化学連携による持続的成長に向けた高機能・長寿命材料の探索・制御 2023-04 -- 2026-03 館山佳尚 MEXT/スーパーコンピュータ「富岳」成果創出加速プログラム 水電解電極として世界最高活性を示す非金属触媒の技術革新 2022-10 -- 2025-03 近藤 剛弘 Japan Science and Technology Agency (JST)/研究成果最適展開支援プログラム（育成型） Innovative energy storage materials based on the peculiar functions realized by isolated molecules/orbitals. 2020-08 -- 2025-03 Japan Society for the Promotion of Science/Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (S) 196,430,000Yen Studies on Structure Sampling and Non-Equilibrium Dynamics Using Ab-Initio Molecular Dynamics Methods 2010-04 -- 2015-03 Japan Society for the Promotion of Science/Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area) 67,730,000Yen Design and study of nanotube hybrid structure 2007-01 -- 2011-01 Japan Society for the Promotion of Science/Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research on Priority Areas 26,400,000Yen First principles simulation of electrochemical reaction at metal/water interface 2007-01 -- 2009-01 Japan Society for the Promotion of Science/Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (B) 17,420,000Yen Quantum Theoretical Approach in Exploration of New Functions in Surface Nano-Structures 2002-01 -- 2003-01 Japan Society for the Promotion of Science/Grants-in-Aid for Scientific Research Grant-in-Aid for Scientific Research (C) 4,000,000Yen 電気二重層の異常誘電応答を利用した高密度電荷貯蔵 2018-04 -- 2022-03 Japan Society of for the Promotion of Science/科学研究費助成事業 基盤研究(A) 43,550,000Yen カーボンナノチューブを基にしたナノ構造体の物性解明 2004-01 -- 2006-01 Japan Society of for the Promotion of Science/科学研究費助成事業 若手研究(B) 3,600,000Yen 単純二原子分子性固体の圧力誘起相転移の機構解明及び磁性の研究 1999-01 -- 2000-01 Japan Society of for the Promotion of Science/科学研究費助成事業 特別研究員奨励費 1,800,000Yen more... - Career history
2021-04 -- (current) University of TsukubaCenter for Computational SciencesProfessor 2015-11 -- 2021-03 National Institute of Advanced Industrial Science and TechnologyResearch Center for Computational Design of Advanced Functional MaterialsTeam Leader 2015-04 -- 2015-10 National Institute of Advanced Industrial Science and Technologyナノ材料研究部門上級主任研究員 2013-11 -- 2015-03 National Institute of Advanced Industrial Science and Technologyナノシステム研究部門上級主任研究員 2013-10 -- 2013-10 National Institute of Advanced Industrial Science and Technologyナノシステム研究部門研究グループ長 2012-10 -- 2013-09 National Institute of Advanced Industrial Science and Technology企画本部企画主幹 2010-04 -- 2012-09 National Institute of Advanced Industrial Science and Technologyナノシステム研究部門研究グループ長 2008-04 -- 2010-03 National Institute of Advanced Industrial Science and Technology計算科学研究部門研究員 2007-04 -- 2008-03 The University of TokyoInstitute of Solid State PhysicsResearch assistant 2003-10 -- 2007-03 The University of TokyoInstitute of Solid State PhysicsResearch assistant more... - Academic background
1995-04 -- 2000-03 Osaka University Graduate School of Engineering Science 1991-04 -- 1995-03 Osaka University School of Engineering Science - Degree
2000-03 Ph. D. Osaka University - Academic societies
-- (current) The Electrochemical Society of Japan (ＥＣＳＪ) -- (current) THE PHYSICAL SOCIETY OF JAPAN - Honors & Awards
2009-02 第14回日本物理学会論文賞 2007-02 第5回 東京大学 物性研究所 ISSP学術奨励賞 - Articles
- 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(11)/pp.115402-1-115402-8, 2023-11 - Electrocatalytic Mechanisms for an Oxygen Evolution Reaction at a Rhombohedral Boron Monosulfide Electrode/Alkaline Medium Interface
Hagiwara Satoshi; Kuroda Fumiaki; Kondo Takahiro; Otan...
ACS Appl. Mater. Interfaces/15(43)/pp.50174-50184, 2023-10 - Computational design of nucleating agents of poly (methyl methacrylate) microcellular foams: "savanna-like" surface structures and their effects on foaming
Ono Takumi; Yoda Satoshi; Kageyama Daichi; Saito Yoko...
POLYMER ENGINEERING AND SCIENCE/63(12)/pp.4019-4031, 2023-09-30 - 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; Sato...
JOURNAL OF PHYSICAL CHEMISTRY LETTERS/14(39)/pp.8796-8804, 2023-09 - Boron monosulfide as an electrocatalyst for the oxygen evolution reaction
Li Linghui; Hagiwara Satoshi; Jiang Cheng; Kusaka Har...
CHEMICAL ENGINEERING JOURNAL/471/p.144489, 2023-07 - First‐Principles Investigation of Charged Germagraphene as a Cathode Material for Dual‐Carbon Batteries
Yilmaz Burcu; Otani Minoru; Ishihara Tatsumi; Akbay Taner
ChemSusChem/16(4)/pp.e202201639-1-e202201639-9, 2022-12 - Relationship between Electric Double-Layer Structure of MXene Electrode and Its Surface Functional Groups
Shimada Tatau; Takenaka Norio; Ando Yasunobu; Otani Mino...
CHEMISTRY OF MATERIALS/34(5)/pp.2069-2075, 2022-02 - Theoretical Consideration of Side Reactions between the VS4 Electrode and Carbonate Solvents in Lithium–metal Polysulfide Batteries
Hagiwara Satoshi; Haruyama Jun; Otani Minoru; Umemura ...
Electrochemistry/90(10)/pp.107002-1-107002-7, 2022-10 - Development of a dielectrically consistent reference interaction site model combined with the density functional theory for electrochemical interface simulations
Hagiwara Satoshi; Nishihara Satomichi; Kuroda Fumiaki; ...
Physical Review Materials/6(9)/pp.093802-1-093802-14, 2022-09 - Theoretical Analysis on the Stability of 1-Pyrenebutanoic Acid Succinimidyl Ester Adsorbed on Graphene
Oishi Yasuhiro; Ogi Hirotsugu; Hagiwara Satoshi; Otani M...
ACS OMEGA/7(35)/pp.31120-31125, 2022-09 - Electronic, adsorption, and hydration structures of water-contained Na-montmorillonite and Na-beidellite through the first-principles method combined with the classical solution theory
Hagiwara Satoshi; Ando Yasunobu; Goto Yuta; Shinoki Susu...
PHYSICAL REVIEW MATERIALS/6(2)/pp.025001-1-025001-9, 2022-02 - Thermodynamic Analysis of Li-Intercalated Graphite by First-Principles Calculations with Vibrational and Configurational Contributions
Haruyama Jun; Takagi Shigeharu; Shimoda Keiji; Watanab...
JOURNAL OF PHYSICAL CHEMISTRY C/125(51)/pp.27891-27900, 2021-12 - Bias-dependent diffusion of a H2O molecule on metal surfaces by the first-principles method under the grand-canonical ensemble
Hagiwara Satoshi; Hu Chunping; Nishihara Satomichi; Otani...
PHYSICAL REVIEW MATERIALS/5(6), 2021-06 - Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
Maldonado Alex M.; Hagiwara Satoshi; Choi Tae Hoon; Ecker...
The Journal of Physical Chemistry A/125(1)/pp.154-164, 2021-01 - 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
Kano Koichi; Hagiwara Satoshi; Igarashi Takahiro; Otani ...
Electrochimica Acta/377/pp.138121-138121, 2021-05 - Structural Variation in Carbonate Electrolytes by the Addition of Li Salts Studied by X‐Ray Total Scattering
Kimura Koji; Hayashi Kouichi; Kiuchi Hisao; Morita Ma...
Physica Status Solidi (B)/pp.2000100-2000100, 2020-01 - Towards Engineering of Solution Microenvironments for the CO 2 Reduction Reaction: Unraveling pH and Voltage Effects from a Combined Density-Functional–Continuum Theory
Weitzner Stephen E; Akhade Sneha A; Varley Joel B.; Wood ...
Journal of Physical Chemistry Letters/11(10)/pp.4113-4118, 2020-01 - Capacitive versus Pseudocapacitive Storage in MXene
Ando Yasunobu; Okubo Masashi; Yamada Atsuo; Otani Minoru
Advanced Functional Materials, 2020-01 - Negative dielectric constant of water confined in nanosheets
Akira Sugahara Yasunobu Ando Satoshi Kajiyama Koji Yaz...
Nature Communications, 2019-01 - Specific ion effects at graphitic interfaces
Zhan Cheng; Cerón Maira R.; Hawks Steven A.; Otani Minor...
Nature Communications/10, 2019-01 - Dense Charge Accumulation in MXene with a Hydrate-Melt Electrolyte
Kim Kijae; Ando Yasunobu; Sugahara Akira; Ko Seongjae; Ya...
Chemistry of Materials, 2019-01 - Two-Phase Reaction Mechanism for Fluorination and Defluorination in Fluoride-Shuttle Batteries: A First-Principles Study
Jun Haruyama Ken-ichi Okazaki Yoshiyuki Morita Hirofum...
ACS Applied Materials & Interfaces, 2019-01 - Electrode potential from density functional theory calculations combined with implicit solvation theory
Jun Haruyama Tamio Ikeshoji Minoru Otani
Physical Review Materials, 2018-01 - 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(18)/pp.9804-9810, 2018-01 - Origins and Implications of Interfacial Capacitance Enhancements in C-60-Modified Graphene Supercapacitors
Zhan Cheng; Pham Tuan Anh; Ceron Maira R.; Campbell Patr...
ACS Applied Materials & Interfaces/10(43)/pp.36860-36865, 2018-01 - more...
- Structural changes in the lithium cobalt dioxide electrode: A combined approach with cluster expansion and Bayesian optimization
- Books
- First-principles study on oxygen and selenium under high pressures
Otani Minoru
2000-03
- First-principles study on oxygen and selenium under high pressures
- Conference, etc.
- 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/2023-09-19--2023-09-23 - Study of electrochemical interfaces using DFT and the classical liquid theory hybrid simulations
OTANI Minoru
244th ECS Meeting/2023-10-8--2023-10-12 - 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...
日本化学会第104春季年会(2024)/2024-3-20--2024-3-20 - Enhancing the Stability of rBS+G Electrocatalyst for Efficient Oxygen Evolution Reaction
L. Li; C. Jiang; H. Kusaka; N. Watanabe; T. Fujita; ...
第16回日本ホウ素・ホウ化物研究会/2024-2-17--2024-2-17 - r-BS as a promising high performance with strong durability metalfree electrocatalyst for OER
Li Linghui; Hagiwara Satoshi; Jiang Cheng; Kusaka Har...
Materials Research Meeting 2023 (MRM2023/IUMRS-ICA2023)/2023-12-13--2023-12-13 - Boron monosulfides: a promising material used as the electrocatalyst for the oxygen evolution reaction
Linghui Li; Satoshi Hagiwara; Cheng Jiang; Haruki Kus...
Annual Meeting of the Japan Society of Vacuum and Surface Science 2023/2023-11-01--2023-11-01 - 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/2023-09-18--2023-09-18 - r-BS as a promising high-performance metal-free electrocatalyst for OER
Linghui Li; Satoshi Hagiwara; Cheng Jiang; Haruki Kusaka...
第15回 日本ホウ素・ホウ化物研究会/2023-02-11 - 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/2021-11-25 - 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/2021-07-28
- 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
- Teaching
2024-04 -- 2024-08 Seminar on Theoretical Condensed Matter Physics C University of Tsukuba. 2024-04 -- 2024-08 Special Seminar for Condensed Matter Theory VB University of Tsukuba. 2024-04 -- 2024-08 Special seminar for condensed matter theory IIIB University of Tsukuba. 2024-04 -- 2024-08 Special Seminar for Condensed Matter Theory IB University of Tsukuba. 2024-10 -- 2025-02 Seminar on Theoretical Condensed Matter Physics D University of Tsukuba. 2024-04 -- 2024-08 Special seminar for condensed matter theory IVA University of Tsukuba. 2024-04 -- 2024-08 Collaborative Research in Physics IV University of Tsukuba. 2024-10 -- 2025-02 Collaborative Research in Physics IV University of Tsukuba. 2024-10 -- 2025-02 Collaborative Research in Physics III University of Tsukuba. 2024-04 -- 2024-08 Collaborative Research in Physics III University of Tsukuba. more... - Professional activities
2020-04 -- (current) 一般社団法人 電気化学界面シミュレーションコンソーシアム 代表理事 2018-01 -- 2020-03 一般社団法人 電気化学界面シミュレーションコンソーシアム 理事
(Last updated: 2024-08-27)