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The adsorption of hydrogen on Pd(100) and Rh(100) surfaces: a comparative theoretical study

✍ Scribed by D. Hennig; S. Wilke; R. Löber; M. Methfessel

Publisher
Elsevier Science
Year
1993
Weight
76 KB
Volume
287-288
Category
Article
ISSN
0167-2584

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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