Engineering and controlling the electronic properties of zigzag and armchair boron nitride nanotubes with various concentrations of oxygen impurities

Chinese Journal of Physics(2023)

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摘要
•Effect of oxygen impurities on the electronic properties of ASWBNNTs and ZSWBNNTs.•Controlling electronic properties by using various concentrations of O impurities.•The electronic band gap value decreased with various concentrations of O impurities.•ASWBNNTs changed from insulator to semiconductor using 2-hexagonal of O impurities.•The behavior of ASWBNNTs and ZSWBNNTs become metallic with 7 O impurities.
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关键词
DFT,SWBNNTs, ZSWBNNTs, ASWBNNTs,Band Gap
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