A model for the adsorption of atomic hydrogen on the surfaces of single-walled zig-zag and armchair carbon nanotubes is constructed on the basis of the single-impurity periodic Anderson model. Features of the bands caused by the adsorption of hydrogen atoms in the structure of carbon nanotubes are studied. A reduction in the forbidden gap as a result of adsorption is revealed, and its dependence on the diameter of the semiconducting nanotubes is established. It is concluded that the model can be used to study the adsorption of other monovalent atoms on the surfaces of carbon particles.
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Original Russian Text © A.V. Pak, N.G. Lebedev, 2013, published in Zhurnal Fizicheskoi Khimii, 2013, Vol. 87, No. 6, pp. 995–1000.
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Pak, A.V., Lebedev, N.G. Adsorption model of atomic hydrogen on the surfaces of carbon nanotubes. Russ. J. Phys. Chem. 87, 979–984 (2013). https://doi.org/10.1134/S0036024413060204