Structural, electronic, and magnetic properties of Ag n Co ( n =1–9) clusters: A first-principles study

P L Rodriguezkessler,A R Rodriguezdominguez

Computational and Theoretical Chemistry（2015）

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摘要

•Structures of AgnCo clusters (n=1–9) are studied by DFT.•The Co impurity occupies the highest coordinated position.•For Ag9Co, the Co impurity falls into the center of a Agn cage structure.•Quenching of the magnetic moment of Co is observed.

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关键词

AgCo,Silver–cobalt,Clusters,DFT

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