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Au Atoms and Dimers on the MgO(100) Surface: A DFT Study of Nucleation at Defects

✍ Scribed by Del Vitto, Annalisa; Pacchioni, Gianfranco; Delbecq, Françoise; Sautet, Philippe

Book ID
119979038
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
639 KB
Volume
109
Category
Article
ISSN
0022-3654

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## Abstract Density functional theory (DFT) calculations have been performed to determine the interaction energy between a CO probe molecule and all atoms from the first three rows of the periodic table coadsorbed on Rh(100), Pd(100) and Ir(100) metal surfaces. Varying the coverage of CO or the coa