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Issue 39, 2014
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A face-sharing bi-icosahedral model for Al23

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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−

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Article information


Submitted
19 Jul 2014
Accepted
22 Aug 2014
First published
28 Aug 2014

This article is Open Access

Phys. Chem. Chem. Phys., 2014,16, 21717-21720
Article type
Paper

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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