Computer study of the spectroscopic signatures of defects in carbon nanotubes and graphene NATO CLG.982722

A number of different types of defects in nanotubes and graphene will be considered, including: Stone-Wales defects, vacancies, heptagon-pentagon pairs, etc. Defects can be generated in these systems in the process of their production. They can also be formed by high-energy radiation or particles. The obtained computational results will be collected in databases, which will be used for estimating the quantity and type of defects in carbon nanotubes and graphene for the purposes of the determination of the level of their defectiveness or for potential application of these structures in sensors.