科研之友
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摘要
A face-sharing bi-icosahedral motif is proposed as a candidate structure of the magic cluster. Al-23(-), on the basis of DFT calculations. The structure can be viewed as a quasi-molecule made of two Al-13 (D-3d) superatoms with an open electronic configuration via constructive overlap of 1F and 2P superatomic orbitals. A face-sharing tri-icosahedral motif is also predicted for Al-33(-).
- 出版日期2014-10-21
