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What is Sn Interaction Effects on Au Clusters about?

This document discusses a theoretical study of the structural and electronic properties of AunSn (n = 2-13) clusters using computational methods. The key findings are: 1) AunSn clusters favor 3D structures for n = 3 and 4, quasi-planar structures in the range of n = 5-11, and again 3D isomers from n = 12 onwards. This differs from the pure Aun clusters which favor planar structures up to n = 13. 2) Enhanced contribution of Au p-orbital and significant charge transfer from Sn to gold atoms is attributed t

Author

1592162022

Language

EN