Size-dependent electronic structures of boron carbonitride (BC2N) nanotubes. A DFT approach

► Electronic structures and physical properties of BC2N nanotubes have been studied. ► We use the GGA with the Perdew-Wang 91 exchange correlation function. ► Buckling of B-N and C-C bonds were found in the structures. ► BC2N nanotubes (with the exception of (4,0)) are gapless semiconductors. ► Ultimate nanoscale optoelectronic devices can be realized using BC2N nanotubes.