Electronic factors determining the reactivity of metal surfaces
Conference
·
OSTI ID:370780
- CAMP, Lyngby (Denmark); and others
Density functional calculations for H{sub 2}, Co, Ni, and CH{sub 4} adsorption and dissociation on surfaces of Cu, Ni, Pd, Ag, Pt, Au, Ru, Rh, Cu{sub 3}Pt, Au-Ni surface alloys and a number of metal overlayers are presented. A model which is able to account semi-quantitatively for the trends in bond energies and activation barriers for these surfaces is discussed and used as a basis for singling out surface properties of importance for the chemical activity. The relative importance of geometric and electronic effects is also discussed.
- OSTI ID:
- 370780
- Report Number(s):
- CONF-960376--
- Country of Publication:
- United States
- Language:
- English
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