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Abstract:

The formation process of Pd/Cu(110) surface alloys is investigated using the Bozzolo-Ferrante-Smith (BFS) method for alloys. A straightforward modeling approach is introduced, ranging from the deposition of one single-Pd atom to the formation of Pd/Cu surface alloy, which helps explain all the experimentally observed features during the surface alloy formation for low coverages. In excellent agreement with all the known experimental observations, the approach sheds light on the exchange mechanism between adatoms and substrate atoms, the formation of Pd-Cu chains and the formation of Cu islands.

Registro:

Documento: Artículo
Título:New approach for atomistic modeling of Pd/Cu(110) surface alloy formation
Autor:Garces, J.E.; Bozzolo, G.H.; Abel, P.; Mosca, H.O.
Ciudad:Amsterdam
Filiación:Centro Atomico Bariloche, Comn. Nac. de Energia Atomica, 8400, Bariloche, Argentina
Ohio Aerospace Institute, 22800 Cedar Point Road, Cleveland, OH 44142, United States
NASA Glenn Research Center, Cleveland, OH 44135, United States
Comision Nacional de Energia Atomica, 1429, Buenos Aires, Argentina
Departamento de Fisica, Fac. Cie. Exact. Y Nat., Univ. B., Buenos Aires, Argentina
Palabras clave:Binary alloys; Computer simulation; Mathematical models; Molecular structure; Substrates; Atomistic simulation models; Surface alloys; Palladium alloys
Año:2000
Volumen:167
Número:1
Página de inicio:18
Página de fin:33
DOI: http://dx.doi.org/10.1016/S0169-4332(00)00380-9
Título revista:Applied Surface Science
Título revista abreviado:Appl Surf Sci
ISSN:01694332
CODEN:ASUSE
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01694332_v167_n1_p18_Garces

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Citas:

---------- APA ----------
Garces, J.E., Bozzolo, G.H., Abel, P. & Mosca, H.O. (2000) . New approach for atomistic modeling of Pd/Cu(110) surface alloy formation. Applied Surface Science, 167(1), 18-33.
http://dx.doi.org/10.1016/S0169-4332(00)00380-9
---------- CHICAGO ----------
Garces, J.E., Bozzolo, G.H., Abel, P., Mosca, H.O. "New approach for atomistic modeling of Pd/Cu(110) surface alloy formation" . Applied Surface Science 167, no. 1 (2000) : 18-33.
http://dx.doi.org/10.1016/S0169-4332(00)00380-9
---------- MLA ----------
Garces, J.E., Bozzolo, G.H., Abel, P., Mosca, H.O. "New approach for atomistic modeling of Pd/Cu(110) surface alloy formation" . Applied Surface Science, vol. 167, no. 1, 2000, pp. 18-33.
http://dx.doi.org/10.1016/S0169-4332(00)00380-9
---------- VANCOUVER ----------
Garces, J.E., Bozzolo, G.H., Abel, P., Mosca, H.O. New approach for atomistic modeling of Pd/Cu(110) surface alloy formation. Appl Surf Sci. 2000;167(1):18-33.
http://dx.doi.org/10.1016/S0169-4332(00)00380-9