Theoretical study of influence of skeleton defects on electronic and mechanical properties of carbon nanotubes
The atomic structure and the energetics of carbon nanotubes having skeleton defects are studied. The tubes with the Stone-Wales isomerization defect, 2V and ad-dimer defects, as well as the tubes doped by nitrogen atoms were considered. Studying the energetics is carried out by using the tight-binding method modified for calculation of the compounds containing the C-N bond types. It is shown, that for a number of cases, the appearance of defects in skeletons raises the nanotube strength and changes the conductivity that can be used at designing mechanical and electronic nanodevices.