Ligand and ensemble effects in adsorption on alloy surfaces

Authors
Liu, P Norskov, JK
Citation
P. Liu et Jk. Norskov, Ligand and ensemble effects in adsorption on alloy surfaces, PHYS CHEM P, 3(17), 2001, pp. 3814-3818
Citations number
36
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ISSN journal
14639076 → ACNP
Volume
3
Issue
17
Year of publication
2001
Pages
3814 - 3818
Database
ISI
SICI code
1463-9076(2001)3:17<3814:LAEEIA>2.0.ZU;2-E
Abstract
Density functional theory is used to study the adsorption of carbon monoxid e, oxygen and nitrogen on various Au/Pd(111) bimetallic alloy surfaces. By varying the Au content in the surface we are able to make a clear separatio n into geometrical (or ensemble) effects and electronic (or ligand) effects determining the adsorption properties.