Abstract
Density functional theory is used to study the adsorption of carbon monoxide, 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 separation into geometrical (or ensemble) effects and electronic (or ligand) effects determining the adsorption properties.
| Original language | English |
|---|---|
| Journal | Physical Chemistry Chemical Physics |
| Volume | 3 |
| Issue number | 17 |
| Pages (from-to) | 3814-3818 |
| ISSN | 1463-9076 |
| DOIs | |
| Publication status | Published - 2001 |
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