Abstract
On the atomic level, we consider a model of the formation of active centers on the surface of a metal, which control the course of corrosion and electrochemical processes. Our quantum-chemical computations demonstrate that a foreign tin atom in a Sn - Ni8 - Ni cluster can favor the dissolution of nickel in an acid medium, and a zinc atom in a Zn - Ni8 - Ni cluster induces its passivation. We also show that the introduction of an oxygen atom into a cluster favors the passivation of nickel.
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Translated from Fizyko-Khimichna Mekhanika Materialiv, Vol. 41, No. 1, pp. 12–18, January–February, 2005.
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Shapovalova, I.N., Tatarchenko, G.O., Zakharov, I.I. et al. A Quantum-Chemical Model of Active Centers of Electrochemical Corrosion of Metals. Mater Sci 41, 7–14 (2005). https://doi.org/10.1007/s11003-005-0126-6
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DOI: https://doi.org/10.1007/s11003-005-0126-6