MULTIDIMENSIONAL EFFECTS IN DISSOCIATIVE CHEMISORPTION - H-2 ON CU-SURFACE AND NI-SURFACES

被引：56

作者：

ENGDAHL, C

LUNDQVIST, BI

NIELSEN, U

NORSKOV, JK

机构：

[1] AARHUS UNIV,INST PHYS,DK-8000 AARHUS,DENMARK

[2] TECH UNIV DENMARK,APPL PHYS LAB,DK-2800 LYNGBY,DENMARK

来源：

PHYSICAL REVIEW B | 1992年 / 45卷 / 19期

关键词：

D O I：

10.1103/PhysRevB.45.11362

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

It is shown that, in order to describe and understand the trends found experimentally for the variation of the H-2 sticking probability with crystal face on Cu and Ni surfaces, the dynamics of all six molecular degrees of freedom must be included. The effective-medium theory is used to estimate the multidimensional interaction potential and the dynamics is studied using two- and six-dimensional quantum and classical simulations.

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页码：11362 / 11365

页数：4

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