Issue 39, 2014

A face-sharing bi-icosahedral model for Al23

Abstract

A face-sharing bi-icosahedral motif is proposed as a candidate structure of the magic cluster, Al23, on the basis of DFT calculations. The structure can be viewed as a quasi-molecule made of two Al13 (D3d) 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 Al33.

Graphical abstract: A face-sharing bi-icosahedral model for Al23−

Supplementary files

Article information

Article type
Paper
Submitted
19 Jul 2014
Accepted
22 Aug 2014
First published
28 Aug 2014
This article is Open Access
Creative Commons BY-NC license

Phys. Chem. Chem. Phys., 2014,16, 21717-21720

A face-sharing bi-icosahedral model for Al23

K. Koyasu and T. Tsukuda, Phys. Chem. Chem. Phys., 2014, 16, 21717 DOI: 10.1039/C4CP03199G

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