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- W2357325512 abstract "The geometries,total energies,and vibrational frequencies of Aun clusters(n=2-11) have been systematically investigated by using density functional theory with the generalized gradient approximation(GGA),and the lowest energy structures as well as metastable isomers have been determined.The calculated results indicate that Aun clusters adopt planar stuructures as their ground state geometries and the lowest energy structures of Aun are formed by edge-capping an atom on the structures of Aun-1,due to the sd electron hybridization from relativistic effects.The calculated results on the averaged binding energy,fragmentation energy,and second-order difference of cluster energies indicate that the clusters with even Au atoms exhibit stronger stability than those with odd Au atoms,and moreover,the stability is more prominent for Au6." @default.
- W2357325512 created "2016-06-24" @default.
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- W2357325512 date "2009-01-01" @default.
- W2357325512 modified "2023-09-23" @default.
- W2357325512 title "First Principles Study on the Structure and Stability of Au_n(n=2-11) Clusters" @default.
- W2357325512 hasPublicationYear "2009" @default.
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