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To a Theory of Electrocatalysis for the Hydrogen Evolution Reaction: The Hydrogen Chemisorption Energy on the Transition Metal Alloys within the Anderson–Newns Model

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Abstract

Estimates of the energy of chemisorption of hydrogen (ECH) on a number of alloys of transition metals that are of interest from the viewpoint of a theory of electrocatalysis are made within the Anderson–Newns model. As a simplest example, the behavior of ECH as a function of the position of the Fermi level of a system for nickel containing admixtures of simple metals is studied in a fixed-band approximation. As alternative examples, where this approximation is not fulfilled, a calculation of ECH on tungsten carbide and a Pd1 – x Ag x alloy is performed. It is shown that agreement between calculated ECH and observed ECH is reached in the case of an Ni1 – x Cu x alloy after taking into account mutual influence of processes of adsorption and segregation on the alloy surface. Dependence of rates of a number of electrochemical reactions on the composition and electronic structure of alloys is discussed for all the alloys considered and a comparison with experiment is performed.

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  1. Frumkin Institute of Electrochemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119071, Russia

    I. G. Medvedev

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  1. I. G. Medvedev
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Medvedev, I.G. To a Theory of Electrocatalysis for the Hydrogen Evolution Reaction: The Hydrogen Chemisorption Energy on the Transition Metal Alloys within the Anderson–Newns Model. Russian Journal of Electrochemistry 40, 1123–1131 (2004). https://doi.org/10.1023/B:RUEL.0000048643.54878.ed

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  • DOI: https://doi.org/10.1023/B:RUEL.0000048643.54878.ed

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