ATOMISTIC MODELING OF PtDEPOSITION ON Cu(111) AND CuDEPOSITION ON Pt(111)

Adrián Canzian, Hugo O. Mosca and Guillermo Bozzolo ()
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Adrián Canzian: Universidad Tecnológica Nacional, Facultad Regional Gral. Pacheco, H. Irigoyen 288, (B1617FRP) Gral. Pacheco, Pcia. de Bs. As., Argentina
Hugo O. Mosca: Comisión Nacional de Energía Atómica, UAM, Av. Gral. Paz 1499, (B1650KNA) San Martín, Pcia. de Bs. As., Argentina
Guillermo Bozzolo: Ohio Aerospace Institute, 22800 Cedar Point Rd., Cleveland, OH 44142, USA;

Surface Review and Letters (SRL), 2004, vol. 11, issue 02, 235-243

Abstract: A modeling analysis of the growth mode of submonolayer amounts of Pt on Cu(111) and Cu on Pt(111) for different coverages and temperatures reproduces the known experimental behavior. An atom-by-atom analysis of the energetics using the BFS method for alloys provides a simple explanation of the underlying mechanisms leading to the observed behavior.

Keywords: Adatoms; computer simulations; copper; platinum; semiempirical methods and model calculations; surface alloys; surface structure (search for similar items in EconPapers)
Date: 2004
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DOI: 10.1142/S0218625X04006116

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