The Oxygen Reduction Reaction on Nitrogen-Doped Graphene

被引：72

作者：

Studt, Felix ^{[1
]}

机构：

[1] SLAC Natl Accelerator Lab, SUNCAT Ctr Interface Sci & Catalysis, Menlo Pk, CA 94025 USA

来源：

CATALYSIS LETTERS | 2013年 / 143卷 / 01期

关键词：

Electro-catalysis; Oxygen reduction reaction; Nitrogen-doped carbon; Density functional theory calculations; Reaction mechanism; HIGH ELECTROCATALYTIC ACTIVITY; ALLOY ELECTROCATALYSTS; O-2; REDUCTION; FUEL-CELL; CARBON; ELECTROLYSIS; CATALYSTS; PLATINUM; SURFACES; ARRAYS;

D O I：

10.1007/s10562-012-0918-x

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 oxygen reduction reaction on a graphene sheet with 6.3 % doping of nitrogen is analyzed using density functional theory calculations. It is found that all intermediates involved in the oxygen reduction reaction bind on the carbon atom next to the nitrogen dopant. The first reduction step to produce the OOH* intermediate is only moderately downhill in free energy while further reduction to O* and OH* are more exothermic. The reduction from step from O* to OH* is found responsible for the experimentally observed overpotential.

引用

页码：58 / 60

页数：3

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