Au20: A Tetrahedral Cluster.
Au20: A Tetrahedral Cluster.
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DOI：
10.1002/chin.200320001
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发表时间：
2003-05
期刊：
影响因子：
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通讯作者：
Jun Li;Xi Li;Hua‐Jin Zhai;Lai‐Sheng Wang
中科院分区：
文献类型：
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作者：
Jun Li;Xi Li;Hua‐Jin Zhai;Lai‐Sheng Wang
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 Au20cluster should be highly stable and chemically inert. Using relativistic density functional calculations, we found that Au20possesses a tetrahedral structure, which is a fragment of the face-centered cubic lattice of bulk gold with a small structural relaxation. Au20is thus a unique molecule with atomic packing similar to that of bulk gold but with very different properties.
