Mechanism of Adsorption of Chlorine Atoms on ВС3 Boron–Carbon Nanotubes of Types A and B.

Autor: Boroznin, S. V., Zaporotskova, I. V., Boroznina, N. P., Dryuchkov, E. S.
Zdroj: Inorganic Materials: Applied Research; Aug2023, Vol. 14 Issue 4, p1020-1023, 4p
Abstrakt: 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. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index