Effect of strain on the reactivity of metal surfaces

被引：2074

作者：

Mavrikakis, M ^{[1
]}

Hammer, B

Norskov, JK

机构：

[1] Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark

[2] Aalborg Univ, Inst Phys, DK-9220 Aalborg, Denmark

来源：

PHYSICAL REVIEW LETTERS | 1998年 / 81卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.81.2819

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Self-consistent density functional calculations for the adsorption of O and CO, and the dissociation of CO on strained and unstrained Ru(0001) surfaces are used to show how strained metal surfaces have chemical properties that are significantly different from those of unstrained surfaces. Surface reactivity increases with lattice expansion, following a concurrent up-shift of the metal d states. Consequences for the catalytic activity of thin metal overlayers are discussed.

引用

页码：2819 / 2822

页数：4

共 26 条

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