Investigation of interaction of borocarbon nanotubes with gas phase atoms

Abstract

Abstract During the study of adsorption interaction by computer modeling, it was found that adsorption of oxygen, fluorine and chlorine atoms is possible on the surface of a carbon nanotube. In the course of comparing the surface sorption activity of BC5 nanotubes with respect to various chemical elements, it was found that the interaction of the oxygen atom with the surface of the borocarbon nanotube is the most energetically advantageous. The introduction of boron atoms promotes a more active addition of oxygen, fluorine and chlorine atoms to the surface of the nanotube, that is, structural modification leads to an increase in the sorption activity of carbon nanotubes.