Study of the mechanism of adsorption of atomic hydrogen on the surface of triangular and alpha-structured single-walled boron nanotubes

This paper presents the results of studies of the effect of structural modifications of boron nanotubes on the process of surface adsorption of atomic hydrogen. Boron single-walled nanotubes of triangular type and boron tubes based on the alpha layer are considered. Features of the adsorption mechanisms of external adsorption of hydrogen atom on the surface of boron nanotubes with small diameter and induced changes in the conductive state of surface-modified tubulenes are discussed. The calculations are performed in the framework of molecular clusters model with semiempirical MNDO scheme.