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
收藏
页码：2659 / 2662
页数：4
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