Au20: A Tetrahedral Cluster
摘要：
Photoelectron spectroscopy revealed that a 20-atom gold cluster has an extremely large energy gap, which is even greater than that of C60, and an electron affinity comparable with that of C60. This observation suggests that the$Au_{20}$cluster should be highly stable and chemically inert. Using relativistic density functional calculations, we found that$Au_{20}$possesses a tetrahedral structure, which is a fragment of the face-centered cubic lattice of bulk gold with a small structural relaxation.$Au_{20}$is thus a unique molecule with atomic packing similar to that of bulk gold but with very different properties.
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DOI：
10.1002/chin.200320001
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年份：
2003
Wiley
Semantic Scholar
万方医学
万方医学
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