Hydrogen chemisorbed on nickel surfaces: A wave-mechanical treatment of proton motion

M. J. Puska*, R. M. Nieminen

*Corresponding author for this work

Research output: Contribution to journalArticleScientificpeer-review

87 Citations (Scopus)

Abstract

The quantum nature of hydrogen chemisorbed on a metal surface is explored in detail. Starting from the effective-medium construction of the adiabatic potential energy surfaces, we demonstrate that due to zero-point motion chemisorbed hydrogen can be to a large extent delocalized in both ground and excited state configurations. A proper description can then only be given in terms of hydrogen energy bands. The quantitative calculations for Ni surfaces are used to discuss a number of experimental observations, in particular the vibrational excitations of hydrogen as measured by inelastic electron scattering. The further implications of this new description are also commented on.

Original languageEnglish
Pages (from-to)413-435
Number of pages23
JournalSurface Science
Volume157
Issue number2-3
DOIs
Publication statusPublished - 2 Jul 1985
MoE publication typeA1 Journal article-refereed

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