The chiral effect of adsorption of univalent atoms and diatomic molecules on the surface of carbon nanotubes
Tóm tắt
Quantum-chemical semiempirical calculations were performed of the adsorption of fluorine and hydrogen atoms and molecules on the surface of single-layered carbon nanotubes with various diameters. Semiempirical quantum-chemical MNDO calculations were based on the model of a molecular cluster with boundary pseudoatoms. The energy characteristics of adsorption were determined. Changes in physical properties caused by the adsorption of atoms and diatomic molecules were analyzed.
Tài liệu tham khảo
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