Jemmis, Eluvathingal D. ; Prasad, Dasari L. V. K. (2006) Icosahedral B12, macropolyhedral boranes, β-rhombohedral boron and boron-rich solids Journal of Solid State Chemistry, 179 (9). pp. 2768-2774. ISSN 0022-4596
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/0.1016/j.jssc.2005.11.041
Abstract
The preference for icosahedral B12 amongst polyhedral boranes and elemental boron is explained based on an optimization of overlap model. The ingenious ways in which elemental boron and boron-rich solids achieve icosahedron-related structures are explained by a fragment approach. The Jemmis mno rules are used to get the electron requirements. The extra occupancies and vacancies in β-rhombohedral structures are shown to be inevitable results of electron requirements. The detailed understanding of the structure suggests ways of doping β-rhombohedral boron with metals for desired properties. Theoretical studies of model β-rhombohedral solids with metal dopings provide support for the analysis.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Electron Counting Rules; Wade's n+1 Rules; Jemmis mno Rule; Macro-polyhedral Boranes; Boron; Boron-rich Solids; α-rhombohedral Boron; β-rhombohedral Boron; |
| ID Code: | 82705 |
| Deposited On: | 14 Feb 2012 11:46 |
| Last Modified: | 14 Feb 2012 11:46 |
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