A Quantum-Chemical Model of Active Centers of Electrochemical Corrosion of Metals
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 ni...
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| Veröffentlicht in: | Materials science (New York, N.Y.) N.Y.), 2005-01, Vol.41 (1), p.7-14 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | 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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| ISSN: | 1068-820X 1573-885X |
| DOI: | 10.1007/s11003-005-0126-6 |