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Ab Initio Prediction of Boron Compounds Arising from Borozene: Structural and Electronic Properties
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings have been studied by means of first principles calculations based on the generalized-gradient approximation of the density functional theory. Moreover, a semiempirical tight-binding model has been...
| Autores principales: | , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Springer
2009
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2893925/ https://www.ncbi.nlm.nih.gov/pubmed/20652134 http://dx.doi.org/10.1007/s11671-009-9458-8 |