New approach for atomistic modeling of Pd/Cu(110) surface alloy formation

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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 exper...

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Autor principal: Garces, J.E
Otros Autores: Bozzolo, G.H, Abel, P., Mosca, Hugo Osvaldo
Formato: Acta de conferencia Capítulo de libro
Lenguaje:Inglés
Publicado: Elsevier Science Publishers B.V. 2000
Acceso en línea:Registro en Scopus
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100 1 |a Garces, J.E. 
245 1 0 |a New approach for atomistic modeling of Pd/Cu(110) surface alloy formation 
260 |b Elsevier Science Publishers B.V.  |c 2000 
270 1 0 |m Garces, Jorge E.; Comision Nacional de Energia Atomica, Bariloche, Argentina 
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504 |a Garces, J., Mosca, H., Bozzolo, G., Surf. Sci., , (in press) 
504 |a Bozzolo, G., Noebe, R.D., Ferrante, J., Amador, C., (1999) J. Comput.-Aided Mater. Des., 6, p. 1. , and references therein 
504 |a Wu, S.C., Lu, S.H., Wang, Z.Q., Lok, C.K.C., Quinn, J., Li, Y.S., Tian, D., Marcus, P.M., (1988) Phys. Rev. B, 38, p. 5363 
504 |a Graham, G.W., Schmitz, P.J., Thiel, P.A., (1990) Phys. Rev. B, 41, p. 3353 
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504 |a Hahn, E., Kampshoff, E., Fricke, A., Bucher, J.P., Kern, K., (1994) Surf. Sci., 319, p. 227 
504 |a Bucher, J.P., Hahn, E., Fernandez, P., Massobrio, C., Kern, K., (1994) Europhys. Lett., 27, p. 473 
504 |a Massobrio, C., Fernandez, P., (1995) J. Chem. Phys., 102, p. 605 
504 |a Fernandez, P., Massobrio, C., Blandin, P., Buttet, J., (1994) Surf. Sci., 307-309, p. 608 
504 |a Bozzolo, G., Ferrante, J., (1995) J. Comput.-Aided Mater. Des., 2, p. 113 
504 |a Bozzolo, G., Ferrante, J., Noebe, R.D., Amador, C., (1995) Scr. Mater., 33, p. 1907 
504 |a Bozzolo, G., Ferrante, J., Noebe, R.D., Amador, C., (1997) Scr. Mater., 36, p. 813 
504 |a Bozzolo, G., Ibanez-Meier, R., Ferrante, J., (1995) Phys. Rev. B, 51, p. 7207 
504 |a Bozzolo, G., Ferrante, J., Noebe, R.D., Good, B., Honecy, F.S., Abel, P., (1999) Comput. Mater. Sci., 15, p. 169 
504 |a Smith, J.R., Perry, T., Banerjea, A., Ferrante, J., Bozzolo, G., (1991) Phys. Rev. B, 44, p. 6444 
504 |a Rose, J.H., Smith, J.R., Ferrante, J., (1983) Phys. Rev. B, 28, p. 1835 
504 |a Rodriguez, A.M., Bozzolo, G., Ferrante, J., (1993) Surf. Sci., 289, p. 100 
504 |a Adams, D.L., Nielsen, H.B., Andersen, J.N., (1983) Surf. Sci., p. 294 
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506 |2 openaire  |e Política editorial 
520 3 |a 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.  |l eng 
536 |a Detalles de la financiación: Glenn Research Center 
536 |a Detalles de la financiación: Fruitful discussions with N. Bozzolo are gratefully acknowledge. J.G. acknowledges the support of the NASA/OAI Collaborative Fellowship Program. This work was partially funded by the HITEMP and PPM programs at NASA Glenn Research Center. 
593 |a Centro Atomico Bariloche, Comn. Nac. de Energia Atomica, 8400, Bariloche, Argentina 
593 |a Ohio Aerospace Institute, 22800 Cedar Point Road, Cleveland, OH 44142, United States 
593 |a NASA Glenn Research Center, Cleveland, OH 44135, United States 
593 |a Comision Nacional de Energia Atomica, 1429, Buenos Aires, Argentina 
593 |a Departamento de Fisica, Fac. Cie. Exact. Y Nat., Univ. B., Buenos Aires, Argentina 
690 1 0 |a BINARY ALLOYS 
690 1 0 |a COMPUTER SIMULATION 
690 1 0 |a MATHEMATICAL MODELS 
690 1 0 |a MOLECULAR STRUCTURE 
690 1 0 |a SUBSTRATES 
690 1 0 |a ATOMISTIC SIMULATION MODELS 
690 1 0 |a SURFACE ALLOYS 
690 1 0 |a PALLADIUM ALLOYS 
700 1 |a Bozzolo, G.H. 
700 1 |a Abel, P. 
700 1 |a Mosca, Hugo Osvaldo 
711 2 |c Amsterdam 
773 0 |d Elsevier Science Publishers B.V., 2000  |g v. 167  |h pp. 18-33  |k n. 1  |p Appl Surf Sci  |x 01694332  |w (AR-BaUEN)CENRE-76  |t Applied Surface Science 
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856 4 0 |u https://doi.org/10.1016/S0169-4332(00)00380-9  |y DOI 
856 4 0 |u https://hdl.handle.net/20.500.12110/paper_01694332_v167_n1_p18_Garces  |y Handle 
856 4 0 |u https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01694332_v167_n1_p18_Garces  |y Registro en la Biblioteca Digital 
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962 |a info:eu-repo/semantics/article  |a info:ar-repo/semantics/artículo  |b info:eu-repo/semantics/publishedVersion 
999 |c 81819 

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