Theoretical Studies of Potential-Dependent and Competing Mechanisms of the Electrocatalytic Oxygen Reduction Reaction on Pt(111)

被引：200

作者：

Keith, John A. ^{[1
]}

Jacob, Timo ^{[1
]}

机构：

[1] Univ Ulm, Inst Elektrochem, D-89081 Ulm, Germany

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 49期

关键词：

density functional calculations; electrocatalysis; heterogeneous catalysis; oxygen reduction reaction; platinum; SINGLE-CRYSTAL SURFACES; MOLECULAR-BEAM; ATOMIC OXYGEN; PLATINUM; ADSORPTION; DISSOCIATION; KINETICS; WATER; O-2;

D O I：

10.1002/anie.201004794

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

This way ORR that: Theoretical investigations on the oxygen reduction reaction (ORR) mechanism using first-principles quantum chemistry are presented. Explicit analysis of potential-dependent mechanisms shows how subtle changes in conditions alter ORR reaction processes. Importantly, a kinetics-based model reproduces experimental observations for products and quantitative potential ranges. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：9521 / 9525

页数：5

共 39 条

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