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Abstract：
In this paper, the configurations of Boro-Nitride-Carbon nanotubes with BNC2 composition were optimized by ROHF method. According to the density functional theory, the electronic structures of Boro-Nitride-Carbon nanotubes were calculated by DFT/ROB3LYP method. By analyzing the energy gap, density of electronic state and bonding maps of atoms, the conductive properties of Boro-Nitride-Carbon nanotubes were obtained, and compared with those of carbon nanotubes and other Boro-Nitride nanotubes.
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Jiegou Huaxue
ISSN： 0254-5861
CN： 35-1112/TQ
Year： 2005
Issue： 6
Volume： 24
Page： 655-660
0 . 6 6 9
JCR@2005
5 . 9 0 0
JCR@2023
ESI Discipline： CHEMISTRY;
JCR Journal Grade：3
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SCOPUS Cited Count：
ESI Highly Cited Papers on the List： 0 Unfold All
WanFang Cited Count：
Chinese Cited Count：
30 Days PV： 3
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