大谷 実(オオタニ ミノル)
- 論文
- 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(6)/pp.4447-4453, 2017-01 - Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory
Nishihara S.; Otani M.
Physical Review B/96(11)/pp.115429-115429, 2017-01 - First-principles molecular dynamics simulation for electrochemical hydrogen production by 4,4′-bipyridine molecular catalyst on silver electrode
Ikeshoji Tamio; Uchida Taro; Otani Minoru; Osawa Masa...
Journal of Electroanalytical Chemistry/800/pp.13-18, 2017-01 - Stable Li-Organic Batteries with Nafion-Based Sandwich-Type Separators
Zhiping Song Yumin Qian Minoru Otani Haoshen Zhou
Advanced Energy Materials/6(7)/pp.1501780-1501780, 2016-01 - Poly(benzoquinonyl sulfide) as a High-Energy Organic Cathode for Rechargeable Li and Na Batteries
Zhiping Song Yumin Qian Tao Zhang Minoru Otani Haoshe...
Advanced Science/2(9)/pp.1500124-1500124, 2015-01 - Capacitive charge storage at an electrified interface investigated via direct first-principles simulations
Radin Maxwell D.; Ogitsu Tadashi; Biener Juergen; Otani ...
Physical Review B/91(12)/pp.125415-125415, 2015-01 - Potential-Induced Electronic Structure Changes in Supercapacitor Electrodes Observed by In Operando Soft X-Ray Spectroscopy
Bagge-Hansen Michael; Wood Brandon C.; Ogitsu Tadashi; Wi...
Advanced Materials/27(9), 2015-01 - Polyanthraquinone as a Reliable Organic Electrode for Stable and Fast Lithium Storage
Zhiping Song Yumin Qian Mikhail L. Gordin Duihai Tang ...
Angewandte Chemie International Edition/127(47)/pp.13947-13951, 2015-01 - Flexible metallic nanowires with self-adaptive contacts to semiconducting transition-metal dichalcogenide monolayers
Lin Junhao; Cretu Ovidiu; Zhou Wu; Suenaga Kazu; Prasai ...
NATURE NANOTECHNOLOGY/9(6)/pp.436-442, 2014-06 - Gate-induced electron-state tuning of MoS2: first-principles calculations
Nguyen Thanh Cuong; Minoru Otani; Okada Susumu
JOURNAL OF PHYSICS-CONDENSED MATTER/26(13), 2014-04 - Self-Poisoning Dynamical Effects in the Oxygen Reduction Reaction on Pt(111) from a Top-Down Kinetic Analysis
Bonnet Nicephore; Minoru Otani; Sugino Osamu
The Journal of Physical Chemistry C/118(25), 2014-01 - A method of orbital analysis for large-scale first-principles simulations
Tsukuru Ohwaki Minoru Otani Taisuke Ozaki
The Journal of Chemical Physics/140(24)/pp.244105-244105, 2014-01 - A quinone-based oligomeric lithium salt for superior Li–organic batteries
Song Zhiping; Qian Yumin; Liu Xizheng; Zhang Tao; Zhu...
Energy & Environmental Science/7(12)/pp.4077-4086, 2014-01 - Effect of thermal motion on catalytic activity of nanoparticles in polar solvent
Bonnet Nicephore; Sugino Osamu; Otani Minoru
The Journal of Chemical Physics/140(4)/pp.5-5, 2014-01 - 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 ...
Chemical Physics Letters/612/pp.240-244, 2014-01 - First-Principles-Inspired Design Strategies for Graphene-Based Supercapacitor Electrodes
Brandon C. Wood Tadashi Ogitsu Minoru Otani Juergen Bi...
The Journal of Physical Chemistry C/118(1)/pp.4-15, 2014-01 - 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 Shaohu...
Energy & Environmental Science/7(3)/pp.1068-1078, 2014-01 - 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(10)/pp.1632-1635, 2014-01 - In Operando Soft X-ray Spectroscopy of 3D Graphene Supercapacitor Electrodes
Bagge-Hansen M.; Wood B. C.; Ogitsu T.; Willey T. M.; Tra...
none, 2014-01 - High-Efficiency Photoelectric Conversion in Graphene-Diamond Hybrid Structures: Model and First-Principles Calculations
Konabe Satoru; Nguyen ThanhCuong; Otani Minoru; Okada Su...
APPLIED PHYSICS EXPRESS/6(4), 2013-04 - Charge Manipulation in Molecules Encapsulated Inside Single-Wall Carbon Nanotubes
Yanagi Kazuhiro; Moriya Rieko; Nguyen ThanhCuong; Otani ...
PHYSICAL REVIEW LETTERS/110(8), 2013-02 - Biased interface between solid ion conductor LiBH 4 and lithium metal: A first principles molecular dynamics study
Tamio Ikeshoji Yasunobu Ando Minoru Otani Eiji Tsuchid...
Applied Physics Letters/103(13)/pp.4-4, 2013-01 - Absence of edge states near the 120 degrees corners of zigzag graphene nanoribbons
Nguyen ThanhCuong; Minoru Otani; Okada Susumu
PHYSICAL REVIEW B/87(4), 2013-01 - Inhibition of water dissociation on a pitted Pt(111) surface: First principles study
Yumin Qian Ikutaro Hamada Minoru Otani Tamio Ikeshoji
Catalysis Today/202, 2013-01 - Highly Ordered Cobalt-Phthalocyanine Chains on Fractional Atomic Steps: One-Dimensionality and Electron Hybridization
Tanaka Yusuke; Mishra Puneet; Tateishi Ryusei; Thanh Cuon...
ACS Nano/7(2), 2013-01 - さらに表示...
- Toward full simulation of the electrochemical oxygen reduction reaction on Pt using first-principles and kinetic calculations