MOLECULAR-DYNAMICS SIMULATIONS OF ADSORPTION AND DIFFUSION OF XE ON BARE AND XE COVERED PT(111)

Authors
DEJONG F JANSEN APJ
Citation
F. Dejong et Apj. Jansen, MOLECULAR-DYNAMICS SIMULATIONS OF ADSORPTION AND DIFFUSION OF XE ON BARE AND XE COVERED PT(111), Surface science, 317(1-2), 1994, pp. 1-7
Citations number
34
Categorie Soggetti
Chemistry Physical
Journal title
Surface science → ACNP
ISSN journal
00396028
Volume
317
Issue
1-2
Year of publication
1994
Pages
1 - 7
Database
ISI
SICI code
0039-6028(1994)317:1-2<1:MSOAAD>2.0.ZU;2-A
Abstract
Molecular dynamics simulations are used to calculate adsorption probab ilities and diffusion coefficients of Xe on Pt(111) and Xe/Pt(111). Ex perimental trends are reproduced. The adsorption mechanism is found to be the modified Kisliuk model, with the addition of direct and indire ct insertion in the Xe islands. Up to almost saturation coverage, adso rption via migration to island borders is the most important way of ad sorbate assisted adsorption. Stimulated desorption is observed at high incidence energies.