引用本文:
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.
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.
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.
Computational Evidence for the Smallest Boron Nanotube
摘要:
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.
English
Computational Evidence for the Smallest Boron Nanotube
Abstract:
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.
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Key words:
- Boron nanotube
- / geometrical configuration
- / electronic property
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