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A Theoretical Study on the Conductivity of Carbon Doped BNNT |
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| Authors: | Jing‐Xang Zhao Ying Tian Bai‐Qing Dai |
| Abstract: | From the changes in energy band, density of state (DOS) and 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 strengthen the conductivity of the tube, and its semi‐conductivity might be adjusted by controlling the substitution. |
| Keywords: | Carbon doped BNNT Energy band DOS DFT/B3LYP calculation |