Stuffing improves the stability of fullerenelike boron clusters

Prasad, Dasari L. V. K. ; Jemmis, Eluvathingal D. (2008) Stuffing improves the stability of fullerenelike boron clusters Physical Review Letters, 100 (16). 165504_1-165504_4. ISSN 0031-9007

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Official URL: http://link.aps.org/doi/10.1103/PhysRevLett.100.16...

Related URL: http://dx.doi.org/10.1103/PhysRevLett.100.165504

Abstract

First-principles electronic structure calculations show that boron clusters B98, B99, B100, B101, and B102 based on icosahedral-B12 stuffed fullerenes are more stable than the fullerenelike boron clusters. These more stable structures are envisaged as an icosahedral B12 each vertex of which is connected to the apex of a pentagonal pyramid (B6) via radial 2c-2e σ bonds. The resulting B84 (B12@B12@B60) retains the same symmetry as C60, and the Bn (n=84-116) clusters are generated around it. We further project the possibility of producing such B12 based giant clusters.

Item Type:Article
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ID Code:13471
Deposited On:12 Nov 2010 15:30
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