The adsorption of CO on the stepped Pt{211} surface: a comparison of theory and experiment

被引：35

作者：

Creighan, SC ^{[1
]}

Mukerji, RJ ^{[1
]}

Bolina, AS ^{[1
]}

Lewis, DW ^{[1
]}

Brown, WA ^{[1
]}

机构：

[1] UCL, Dept Chem, London WC1H 0AJ, England

来源：

CATALYSIS LETTERS | 2003年 / 88卷 / 1-2期

基金：

英国工程与自然科学研究理事会;

关键词：

Pt{211}; CO adsorption; density function theory;

D O I：

10.1023/A:1023582732207

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：

Experimental measurements and DFT calculations reveal that, as expected, CO adsorbs most strongly at the step edge of Pt{211}, with similar adsorption energies for bridged and atop CO on the step. Terrace sites are significantly less stable. In the light of our results, we attempt to provide explanations for previous disagreement between experiment and theory.

引用

页码：39 / 45

页数：7

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