Electronic Structure of Carbon Nanotubes

A study of the electronic structure of carbon nanoparticles has been carried out using the methods of quantum chemistry and X-ray emission spectroscopy. Fragments of (n, 0) tubes with n = 6, ... ,11 and of (5,5)-(10,0) tubes were calculated using PM3 method. The dependence of the electronic structure of the fragment on length and symmetry was investigated… CONTINUE READING