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• W2952621105 abstract "Joint experimental and theoretical studies have been carried out to identify the stability of aluminum gold clusters. The experimental studies where the Al n Au - clusters are generated via laser vaporization in a flow reactor and subsequently reacted with oxygen indicate that Al 6 Au - is an exceptionally stable species that is not only resistant to etching by oxygen but also grows in intensity when Al n Au - clusters are exposed to oxygen. Theoretical studies indicate that the six aluminum atoms in Al 6 Au - form an octahedron and that the Au atom occupies a hollow site above the triangular face of the octahedron. It is shown that it takes much larger energy to remove an Al or a Au atom compared to that for neighboring sizes, and this accounts for its resistance to oxygen. The special stability is rooted in the electronic spectrum that is marked by a large HOMO-LUMO gap of 1.38 eV, and the system is best described as a nearly free electron gas of 20 electrons." @default.
• W2952621105 created "2019-06-27" @default.
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• W2952621105 date "2007-01-01" @default.
• W2952621105 modified "2023-10-17" @default.
• W2952621105 title "On the Magic Character of Al6Au-" @default.
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• W2952621105 doi "https://doi.org/10.1135/cccc20070185" @default.
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