Chemical design of boron-nitride nanotubes, nanotubes by Gaussian 5.0 version

In this study, nano tube modular is utilized to create a graphene nano-ribbon structure with n=m=4 and length of 1 nm. For the display system, export Gaussian 5.0 version. The input data then exported 09, which used calculate geometrical electrical parameters, as well adsorption energy. ground state parameters were computed using DFT approach, was dependent on electron density. Higher Occupied Molecular Orbitals (HOMO) Lower Unoccupied (LUMO) are produced by molecular orbital energy, energy gap.