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Semiclassical calculation of the reaction probability for the process C + O → CO on a Pt(111) surface

✍ Scribed by Gert Due Billing; Mario Cacciatore


Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
448 KB
Volume
113
Category
Article
ISSN
0009-2614

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We have performed slab calculations on the periodic adsorption, with a coverage 0 = 0.5, of CO on the Cu( 100) surface. Using nonlocal corrections to the local density approximation (LDA), the calculated chemisorption energy is 0.7 eV, and the top site is slightly preferred over the hollow site. The