A theoretical study on the conductivity of carbon doped BNNT

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 sub stituting 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.