A Theoretical Study on the Conductivity of Carbon Doped BNNT

Abstract

Abstract: From the changes in energy band, density of state(DOS) and the electronic structure calculated by the DFT/B3LYP method, the conductivity of carbon doped boron-nitride nanotube(BNNT), which is formed by C_C bond substituting B_N bond, was discussed. The results indicate that the substitution will strength the conductivity of the tube, and its semi-conductivity might be adjusted by controlling the substitution.

Key words: Carbon doped boron-nitride nanotube(BNNT), Energy band, Density of state(DOS), Electronic structure, DFT/B3LYP calculation

CLC Number:

O641

TrendMD:

ZHAO Jing-Xiang, DAI Bai-Qing, ZHANG Gui-Ling . A Theoretical Study on the Conductivity of Carbon Doped BNNT[J]. Chem. J. Chinese Universities, 2005, 26(2): 304.

References

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