We study the CO chemisorption on epitaxial Pd and Pt monolayers grown on W (110), by using a simple tight-binding self-consistent recursion method model. The tr donation, "rr back-donation and the adsorption energy are reduced by the substrate presence. For the atop site above Pd/W (110), however, t
โฆ LIBER โฆ
Surface phase transitions in CO chemisorption on Pt{110}
โ Scribed by Peter Hofmann; SimonR. Bare; DavidA. King
- Publisher
- Elsevier Science
- Year
- 1982
- Weight
- 77 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0167-2584
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The chemisorption of CO on metal surfaces is widely accepted as a model for understanding chemical bonding between molecules and solid surfaces, but is nevertheless still a controversial subject. Ab initio total energy calculations using density functional theory with gradient corrections for CO che