Multidimensional effects in dissociative chemisorption: H2 on Cu and Ni surfaces

C. Engdahl, Bengt Lundqvist, U. Nielsen, Jens Kehlet Nørskov

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Abstract

It is shown that, in order to describe and understand the trends found experimentally for the variation of the H2 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.
Original languageEnglish
JournalPhysical Review B
Volume45
Issue number19
Pages (from-to)11362-11365
ISSN2469-9950
DOIs
Publication statusPublished - 1992

Bibliographical note

Copyright (1992) by the American Physical Society.

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