DISSOCIATION PATH FOR H2 ON AL(110)

被引：81

作者：

HAMMER, B

JACOBSEN, KW

NORSKOV, JK

机构：

[1] Laboratory of Applied Physics, Technical University of Denmark

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.69.1971

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The minimum energy path is calculated for an H-2 molecule dissociating on an Al(110) surface within local density functional theory. The properties of the potential energy surface along the five H-2 ionic coordinates perpendicular to the reaction path are also determined and shown to be essential for an understanding of the dissociation dynamics.

引用

页码：1971 / 1974

页数：4

共 31 条

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[10] HAMMER B, IN PRESS

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