The structural and electronic properties of Pt-Cu alloy clusters: Embedding atom method combined with density functional theory study
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DOI: 10.1016/j.jallcom.2018.01.150
Abstract: Abstract Using an embedding atom method, the low-lying candidate structures of a large Pt-Cu alloy cluster Pt86Cu22 were obtained through screening 105 isomers. The results indicate that the Pt@PtCu core-shell structures with Pt skin and… read more here.
Keywords: density functional; functional theory; atom method; embedding atom ... See more keywords