Semiconducting to metallic transition in CX(BN)Y nanotubes: effects of C stripes in BN basis

In this work, we study the structural and electronic properties of CX(BN)Y nanotubes, varying CX concentration in BN base structure. The developed work was done combining semiempirical, density functional theory (DFT) Green’s function calculation methods. first part, shown by structure energies that distribution B − C, C N, chemical bonds greatly influence stabilization nanotubes integration carbo (C) atoms within systems has a strong dependence on atomic B, N atoms. second atomos also impact band gap, transforming initial configurations.