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1. Structures and Electronic Properties of Peanut-Shaped Dimers and Nanotubes Consisted of C50 Cages | |||
Bai Hongcun,Qiao Weiye,Wang Guo,Huang Yuanhe | |||
Chemistry 18 January 2010 | |||
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Abstract:The structures and electronic properties of the peanut-shaped dimers and nanotubes consisted of C50 cages are investigated based on the ab initio self-consistent field molecular and crystal orbital calculations. It is found that the formation of peanut-shaped dimers is energeticlly favorable. The corresponding peanut-shaped nanotubes are semiconductors due to existence of the energy gaps. These peanut-shaped nanotubes are predicted to have smaller Young moduli than the single-walled carbon nanotube. The anionic peanut-shaped nanotubes are also calculated in this paper, as well as the infrared spectra of the peanut-shaped dimers. | |||
TO cite this article:Bai Hongcun,Qiao Weiye,Wang Guo, et al. Structures and Electronic Properties of Peanut-Shaped Dimers and Nanotubes Consisted of C50 Cages[OL].[18 January 2010] http://en.paper.edu.cn/en_releasepaper/content/39103 |
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