Adsorption of atomic hydrogen on the surface of the boron-carbon nanotubes

Results of theoretic studies of geometrical, electronic, and energy composition of monolayer boron-carbon BC3 nanotubes of the zig-zag type (n, 0) and the cylindrical symmetry are presented. The mechanism of adsorption of atomic hydrogen on the outer surface of the boron-containing BC3-nanotubes of the (6, 0) type is studied. The calculations are carried out on the basis of models of the ion-incorporated covalent-cyclic cluster using the semiempiric MNDO scheme and density functional (DFT) methods.