Interpretation of O binding-site preferences on close-packed group-VIII metal surfaces
Journal Article
·
· Physical Review, B: Condensed Matter
- Sandia National Laboratories, Albuquerque, New Mexico 87185-1413 (United States)
Screening of O atoms adsorbed on transition metals is accomplished in part by {ital d}-electron redistribution in near-surface, inter-metal-layer bonds. First-principles calculations imply that this is the source of O{close_quote}s preferences for fcc adsorption sites on Pt(111) and hcp hollows on Ru(0001). In both instances, O prefers the site for which screening weakens interlayer bonds the least. Which site this is depends on whether the {ital d} states repopulated by screening are nonbonding or antibonding. {copyright} {ital 1999} {ital The American Physical Society}
- OSTI ID:
- 295545
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 3 Vol. 59; ISSN PRBMDO; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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