Effects of surface relaxation on enantiospecific adsorption on naturally chiral Pt surfaces

被引：22

作者：

Power, TD ^{[1
]}

Sholl, DS ^{[1
]}

机构：

[1] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA

来源：

TOPICS IN CATALYSIS | 2002年 / 18卷 / 3-4期

关键词：

chiral; surface relaxation; enantioselective; enantiospecific;

D O I：

10.1023/A:1013834521060

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

Many high Miller index metals surfaces are naturally chiral, offering opportunities for performing enantiospecific chemistry. Previous theoretical treatments of adsorption on these surfaces have used surfaces truncated from bulk crystals. This paper examines the effect of surface relaxation on enantiospecific adsorption on chiral Pt surfaces by using relaxed surface structures determined using density functional theory.

引用

页码：201 / 208

页数：8

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