Doped Carbon Nanotube 10,0 Characteristics

Models of carbon nanotubes (10,0) with impurities of B, N, and P atoms are designed within the limits of molecular mechanics method MM+. Calculations of energy-band structure of nanotubes have been carried out using the extended Huckel method. It is shown, that impurity boron and nitrogen atoms develop acceptor properties, while phosphorus atom forms an energy level near to the middle of the gap.