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Sulphur overlayers on Ir(100) and its effect on the adsorption of CO: a DFT study

✍ Scribed by S. H. Ma; Z. Y. Jiao; X. Q. Dai; Z. X. Yang

Book ID
111623876
Publisher
Springer
Year
2011
Tongue
English
Weight
626 KB
Volume
83
Category
Article
ISSN
1434-6036

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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