The active site structure of nitrided and oxynitrided graphite as a cathode catalyst in a fuel cell

被引：12

作者：

Tominaga, Hiroyuki ^{[1
]}

Ikeda, Wataru ^{[1
]}

Nagai, Masatoshi ^{[1
]}

机构：

[1] Tokyo Univ Agr & Technol, Grad Sch Bioapplicat & Syst Engn, Koganei, Tokyo 1848588, Japan

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2011年 / 13卷 / 07期

关键词：

OXYGEN REDUCTION REACTION; INITIO MOLECULAR-DYNAMICS; AUGMENTED-WAVE METHOD;

D O I：

10.1039/c0cp02209h

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The first-principles studies were performed for the modified graphites with various edge conformations, which revealed that the NH edge facilitates easy transfer of an electron into the adsorbed O(2).

引用

页码：2659 / 2662

页数：4

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