Theoretical studies of the composition of traces of shot products using nanostructures

In this work, using the semi-empirical MNDO scheme, theoretical studies of the sorption abilities of diphenylamine and 2-nitrodiphenylamine, which are part of the traces of shot products on the outer surface of carbon nanotubes (CNTs), were carried out. The following results were obtained: the mechanism of adsorption of diphenylamine and 2-nitrodiphenylamine to CNTs was investigated; the effect of adsorbable molecules on the conductive properties of CNTs has been established.