Improved oxygen reduction activity on the Ih Cu@Pt core-shell nanoparticles

被引：8

作者：

Yang, Zongxian ^{[1
]}

Geng, Zhixia ^{[1
]}

Zhang, Yanxing ^{[1
]}

Wang, Jinlong ^{[1
]}

Ma, Shuhong ^{[1
]}

机构：

[1] Henan Normal Univ, Coll Phys & Informat Engn, Xinxiang 453007, Henan, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2011年 / 513卷 / 1-3期

基金：

中国国家自然科学基金;

关键词：

ELASTIC BAND METHOD; SURFACE; DISSOCIATION; ADSORPTION; O-2; ELECTROCATALYSTS; REACTIVITY; DIFFUSION; CATALYSIS; POINTS;

D O I：

10.1016/j.cplett.2011.07.088

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 adsorption, diffusion and dissociation properties of O-2, as well as adsorption and diffusion properties of O on the Ih Cu@Pt12 core-shell nanoparticle are studied using the ab initio density functional theory (DFT) calculations. It is found that the O-2 can easily dissociate and the O can easily diffuse on the Ih Cu@Pt12 with much lower barriers as compared those on the Pt(1 1 1) surface, which demonstrates the much higher oxygen reduction activity of the Ih Cu@Pt12 core-shell nanoparticles. (C) 2011 Elsevier B. V. All rights reserved.

引用

页码：118 / 123

页数：6

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