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Chemisorption of CO and H on Pd, Pt and Au nanoclusters: a DFT approach

✍ Scribed by L. O. Paz-Borbon; R. L. Johnston; G. Barcaro; A. Fortunelli


Book ID
111629205
Publisher
Springer
Year
2009
Tongue
English
Weight
452 KB
Volume
52
Category
Article
ISSN
1434-6060

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Tight-binding model of CO chemisorption
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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