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Quantum Mechanical Approach for Determining the Activation Energy of Surface Diffusion

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Abstract

A quantum mechanical approach was proposed to determine the activation energy of surface diffusion for copper, nickel, zinc and iron atoms adsorbed on a copper substrate during electrocrystallization for various overvoltages of the substrate. The activation energy of surface diffusion was calculated from the crystal total energy. An increase in the activation energy of surface diffusion with increasing surface potential is associated with an increase in the binding energy between the ad-atom and the substrate.

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Authors and Affiliations

  1. Dnipro National University of Railway Transport named after Academician V. Lazaryan, Dnipro, Ukraine

    E. F. Shtapenko, V. V. Tytarenko, V. A. Zabludovsky & E. O. Voronkov

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  1. E. F. Shtapenko
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  2. V. V. Tytarenko
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  3. V. A. Zabludovsky
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  4. E. O. Voronkov
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Correspondence to V. V. Tytarenko.

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Translated by O. Golosova

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Shtapenko, E.F., Tytarenko, V.V., Zabludovsky, V.A. et al. Quantum Mechanical Approach for Determining the Activation Energy of Surface Diffusion. Phys. Solid State 62, 2191–2196 (2020). https://doi.org/10.1134/S1063783420110311

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