Binding schemes of adsorbates at metal surfaces: theoretical cluster studies

Authors
Hermann, K Witko, M
Citation
K. Hermann et M. Witko, Binding schemes of adsorbates at metal surfaces: theoretical cluster studies, THEOCHEM, 458(1-2), 1999, pp. 81-92
Citations number
64
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE
ISSN journal
01661280 → ACNP
Volume
458
Issue
1-2
Year of publication
1999
Pages
81 - 92
Database
ISI
SICI code
0166-1280(19990111)458:1-2<81:BSOAAM>2.0.ZU;2-5
Abstract
The chemisorptive interaction of atoms and molecules at metal substrate sur faces and their reaction have been studied extensively using various theore tical methods. The present paper reviews the basic concepts of adsorbate bi nding, physisorptive, covalent, ionic, and competitive at metal surfaces. T hese concepts are illustrated by selected examples from theoretical studies based on cluster model calculations. (C) 1999 Elsevier Science B.V. All ri ghts reserved.