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Modeling and calculations of the physicochemical parameters of diffusion of atomic hydrogen on the surface of differently sized nanotubes with different chiralities

  • Physical Chemistry of Nanoclusters and Nanomaterials
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Abstract

This work is concerned with modeling the diffusion of atomic hydrogen on the surface of differently sized carbon nanotubes with different chiralities. The calculations were based on the estimation of activation energy by the density functional theory method and the use of transition state theory.

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Authors and Affiliations

  1. Siberian Federal University, Krasnoyarsk, Russia

    A. A. Kuzubov, M. A. Raimova, Yu. M. Milyutina, T. A. Kozhevnikova & P. V. Artyushenko

  2. Kirenskii Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russia

    A. A. Kuzubov, R. P. Avramov & M. N. Popov

  3. Siberian State Technological University, Krasnoyarsk, Russia

    A. A. Kuzubov

Authors
  1. A. A. Kuzubov
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  2. R. P. Avramov
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  3. M. A. Raimova
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  4. M. N. Popov
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  5. Yu. M. Milyutina
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  6. T. A. Kozhevnikova
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  7. P. V. Artyushenko
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Corresponding author

Correspondence to M. N. Popov.

Additional information

Original Russian Text © A.A. Kuzubov, R.P. Avramov, M.A. Raimova, M.N. Popov, Yu.M. Milyutina, T.A. Kozhevnikova, P.V. Artyushenko, 2009, published in Zhurnal Fizicheskoi Khimii, 2009, Vol. 83, No. 4, pp. 753–757.

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Kuzubov, A.A., Avramov, R.P., Raimova, M.A. et al. Modeling and calculations of the physicochemical parameters of diffusion of atomic hydrogen on the surface of differently sized nanotubes with different chiralities. Russ. J. Phys. Chem. 83, 649–653 (2009). https://doi.org/10.1134/S0036024409040220

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  • DOI: https://doi.org/10.1134/S0036024409040220

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