,A Density Functional Study of Atomic Carbon Adsorption on δ-Pu(111)Surface

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Adsorption of atomic carbon on δ-Pu(111)surface is investigated systematically using density functional theory with RPBE functional.The adsorption energies,adsorption structures,Mulliken population,work functions,layer and projected density of states are calculated in wide ranges of coverage,which have never been studied before as far as we know.
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