Mechanism of Adsorption of Chlorine Atoms on ВС3 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...

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Bibliographic Details
Published in:Inorganic materials : applied research 2023-08, Vol.14 (4), p.1020-1023
Main Authors: Boroznin, S. V., Zaporotskova, I. V., Boroznina, N. P., Dryuchkov, E. S.
Format: Article
Language:English
Subjects:
Adsorption
Boron
Carbon nanotubes
Chemical bonds
Chemistry
Chemistry and Materials Science
Chlorine
Industrial Chemistry/Chemical Engineering
Inorganic Chemistry
Materials Science
Quantum chemistry
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Summary: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.
ISSN:2075-1133
2075-115X
DOI:10.1134/S2075113323040081