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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