Mechanism of Adsorption of Chlorine Atoms on Bc₃ Boron-Carbon Nanotubes of Types A and B

In this article, studies on the adsorption of atomic chlorine on the surface of carbon nanotubes containing impurity boron atoms at a concentration of 25% with two variants of structural modification are carried out using quantum chemistry methods. It is found that the most probable mechanism is the attachment of a chlorine atom to the middle of the bond between boron atoms. It is found that only in the case of boron-carbon nanotubes of type A is the chlorine atom attached to the center of the hexagon.