Engineering of electronic structure of boron-nitride nanotubes by covalent functionalization

Article

关键词: CARBON NANOTUBES;    SEMICONDUCTORS;   

DOI  :  10.1103/PhysRevB.74.153413

来源: SCIE

【 摘 要 】

Electronic structure of boron-nitride nanotubes (BNNTs) can be tuned in a wide range through covalent functionalization, as experimentally and theoretically evidenced. Various functional groups were covalently attached to BNNTs. The ultraviolet-visible absorption spectra indicate that the electronic structure of BNNTs drastically changes under functionalization. First-principle calculations reveal that the covalently functionalized BNNTs can be either n- or p-doped depending on the electronegativity of molecules attached, and their energy gap can be adjusted from ultraviolet to visible optical range by varying concentration of functionalized species.

【 授权许可】

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