Strain-induced formation of subsurface species in transition metals

被引：58

作者：

Greeley, J ^{[1
]}

Krekelberg, WR ^{[1
]}

Mavrikakis, M ^{[1
]}

机构：

[1] Univ Wisconsin, Dept Biol & Chem Engn, Madison, WI 53706 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2004年 / 43卷 / 33期

关键词：

density functional calculations; hydrogen; phase diagrams; strain effects; surface chemistry;

D O I：

10.1002/anie.200454062

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Expansive surface strain facilitates the formation of subsurface heteroatoms in transition metals. Density functional calculations show that subsurface hydrogen atoms form more rapidly, as depicted schematically in the picture, and are thermodynamically stable at much lower pressures and higher temperatures in stretched (as opposed to unstretched) nickel surfaces.

引用

页码：4296 / 4300

页数：5

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