A theoretical study for the influence of
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S.H. Ma; Z.Y. Jiao; T.X. Wang
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Article
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2011
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Elsevier
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English
⚖ 844 KB
a b s t r a c t Periodic density-functional theory calculations of Li, Na and K adsorbed on Co(0 0 0 1) have been performed up to the coverage of 0.5 ML. Calculated results indicate that top, bridge and hollow sites are degenerated with almost identical adsorption energies for all considered cases.