Citation: Xian Jie LIN, Dong Ju ZHANG, Cheng Bu LIU. Computational Evidence for the Smallest Boron Nanotube[J]. Chinese Chemical Letters, ;2006, 17(6): 851-852. shu

Computational Evidence for the Smallest Boron Nanotube

Institute of Theoretical Chemistry, Shandong University, Jinan 250100

Received Date: 19 September 2005

Fund Project: We are grateful to the National Natural Science Foundation of China (No.20473047) and the Major State Basic Research Development Programs (Grant No. 2004CB719902) for financial support.

The structure of boron nanotubes (BNTs) was found not to be limited to hexagonal pyramidal structures. Based on density functional theory calculations we provided evidence for the smallest boron nanotube, a geometrical analog of the corresponding carbon nanotube. As shown by our calculations, the smallest BNT possesses highly structural, dynamical, and thermal stability, which should be interest for attempts at its synthesis.
- Boron nanotube,
- geometrical configuration,
- electronic property
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