Carbon nanotubes decorated with transition metal, in particular, scandium, titanium, and vanadium, atoms offer promise for use in various applied science fields. We report the results of quantum-chemical calculations of the structure of the metallic layer of atoms of these metals coating the surface of (9, 0) and (10, 0) carbon nanotubes. It was shown that uniform one-layer coating by scandium and titanium could form on nanotubes with diameters no less than the diameter of (10, 0) nanotubes. Vanadium atoms could not uniformly cover nanotubes irrespective of their diameters.
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Original Russian Text © A.A. Kuzubov, P.O. Krasnov, T.A. Kozhevnikova, M.N. Popov, P.V. Artyushenko, 2011, published in Khimicheskaya Fizika, 2011, Vol. 30, No. 1, pp. 89–93.
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Kuzubov, A.A., Krasnov, P.O., Kozhevnikova, T.A. et al. Peculiarities of the decoration of carbon nanotubes with transition metal atoms. Russ. J. Phys. Chem. B 5, 163–167 (2011). https://doi.org/10.1134/S1990793111010076
- carbon nanotubes
- transition metal atoms