Theoretical study of stability of composite based on carbon nanotubes and rutile

With the help of quantum and chemical method of close coupling, finding of stable configuration of nanocomposite on the basis of "carbon nanotube and ceramics" is carried out. Rutile nanoparticle with surface (110) consisting of 148 atoms was considered as ceramic material. The criterion for stability was the enthalpy of reaction of formation of investigated composite. It is found out that the enthalpy of reaction decreases monotonically with increasing diameter of nanotube. It was revealed that the growth of stability of composite contributes to the increase in the number of bonds O-C and their location in two rows.