Density functional theory combined with modified Poisson-Boltzmann theory: Applications to electrode reactions in fuel cells

被引：0

作者：

Jinnouchi, Ryosuke ^{[1
]}

Toyoda, Eishiro ^{[1
]}

Kodama, Kensaku ^{[1
]}

Hatanaka, Tatsuya ^{[1
]}

Morimoto, Yu ^{[1
]}

机构：

[1] Toyota Cent Res & Dev Labs Inc, Nagakute, Aichi 4801192, Japan

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 246卷

关键词：

1ST PRINCIPLES; POTENTIALS;

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

271-COMP

引用

页数：1

共 6 条

[1]

Jinnouchi R., ELECTROCHIM IN PRESS

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Jinnouchi, Ryosuke ;

Anderson, Alfred B. .

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[3] First principles study of sulfuric acid anion adsorption on a Pt(111) electrode [J].

Jinnouchi, Ryosuke ;

Hatanaka, Tatsuya ;

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Osawa, Masatoshi .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (09) :3208-3218

[4] First principles based mean field model for oxygen reduction reaction [J].

Jinnouchi, Ryosuke ;

Kodama, Kensaku ;

Hatanaka, Tatsuya ;

Morimoto, Yu .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2011, 13 (47) :21070-21083

[5] First Principles Calculations on Site-Dependent Dissolution Potentials of Supported and Unsupported Pt Particles [J].

Jinnouchi, Ryosuke ;

Toyoda, Eishiro ;

Hatanaka, Tatsuya ;

Morimoto, Yu .

JOURNAL OF PHYSICAL CHEMISTRY C, 2010, 114 (41) :17557-17568

[6] Electronic structure calculations of liquid-solid interfaces: Combination of density functional theory and modified Poisson-Boltzmann theory [J].

Jinnouchi, Ryosuke ;

Anderson, Alfred B. .

PHYSICAL REVIEW B, 2008, 77 (24)

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