Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au

Autores
Rojas, Mariana Isabel; Giménez, María Cecilia; Leiva, Ezequiel Pedro M.
Año de publicación
2005
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The evolution of a non-uniform Pt film adsorbed on Au, in contact with a solution containing [PtCl6]2- ions was studied by means of lattice gas/kinetic Monte Carlo simulations with pair potentials at 300 K in the canonical ensemble. We found that the evolution of the morphology takes place through two types of exchange: surface diffusion and diffusion mediated by the solution, which occur with different probabilities or rates. These two types of moves were included in the simulation. By means of this dynamic description, it was possible to estimate the exchange rate of Pt atoms on a Au flat surface. A linear dependence was found between the exchange rate and the reciprocal of the number of particles. This function was used to extrapolate the exchange rate to a system of macroscopic size. The standard exchange current density calculated from this value was 5.24 x10-6 A cm2. he morphological evolution of the filmas a function of the time was also studied.
Fil: Rojas, Mariana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Giménez, María Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
.
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/158591
Acceder
id CONICETDig_cda922afc1d556c2460aeac20c8ae6cf
oai_identifier_str oai:ri.conicet.gov.ar:11336/158591
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on AuRojas, Mariana IsabelGiménez, María CeciliaLeiva, Ezequiel Pedro M..https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The evolution of a non-uniform Pt film adsorbed on Au, in contact with a solution containing [PtCl6]2- ions was studied by means of lattice gas/kinetic Monte Carlo simulations with pair potentials at 300 K in the canonical ensemble. We found that the evolution of the morphology takes place through two types of exchange: surface diffusion and diffusion mediated by the solution, which occur with different probabilities or rates. These two types of moves were included in the simulation. By means of this dynamic description, it was possible to estimate the exchange rate of Pt atoms on a Au flat surface. A linear dependence was found between the exchange rate and the reciprocal of the number of particles. This function was used to extrapolate the exchange rate to a system of macroscopic size. The standard exchange current density calculated from this value was 5.24 x10-6 A cm2. he morphological evolution of the filmas a function of the time was also studied.Fil: Rojas, Mariana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Giménez, María Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaElsevier Science2005-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/158591Rojas, Mariana Isabel; Giménez, María Cecilia; Leiva, Ezequiel Pedro M.; Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au; Elsevier Science; Surface Science; 581; 1; 3-2005; L109-L1140039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2005.02.030info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602805002025info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2026-01-14T12:26:48Zoai:ri.conicet.gov.ar:11336/158591instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982026-01-14 12:26:48.891CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
title Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
spellingShingle Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
Rojas, Mariana Isabel
.
title_short Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
title_full Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
title_fullStr Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
title_full_unstemmed Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
title_sort Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au
dc.creator.none.fl_str_mv Rojas, Mariana Isabel
Giménez, María Cecilia
Leiva, Ezequiel Pedro M.
author Rojas, Mariana Isabel
author_facet Rojas, Mariana Isabel
Giménez, María Cecilia
Leiva, Ezequiel Pedro M.
author_role author
author2 Giménez, María Cecilia
Leiva, Ezequiel Pedro M.
author2_role author
author
dc.subject.none.fl_str_mv .
topic .
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The evolution of a non-uniform Pt film adsorbed on Au, in contact with a solution containing [PtCl6]2- ions was studied by means of lattice gas/kinetic Monte Carlo simulations with pair potentials at 300 K in the canonical ensemble. We found that the evolution of the morphology takes place through two types of exchange: surface diffusion and diffusion mediated by the solution, which occur with different probabilities or rates. These two types of moves were included in the simulation. By means of this dynamic description, it was possible to estimate the exchange rate of Pt atoms on a Au flat surface. A linear dependence was found between the exchange rate and the reciprocal of the number of particles. This function was used to extrapolate the exchange rate to a system of macroscopic size. The standard exchange current density calculated from this value was 5.24 x10-6 A cm2. he morphological evolution of the filmas a function of the time was also studied.
Fil: Rojas, Mariana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Giménez, María Cecilia. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description The evolution of a non-uniform Pt film adsorbed on Au, in contact with a solution containing [PtCl6]2- ions was studied by means of lattice gas/kinetic Monte Carlo simulations with pair potentials at 300 K in the canonical ensemble. We found that the evolution of the morphology takes place through two types of exchange: surface diffusion and diffusion mediated by the solution, which occur with different probabilities or rates. These two types of moves were included in the simulation. By means of this dynamic description, it was possible to estimate the exchange rate of Pt atoms on a Au flat surface. A linear dependence was found between the exchange rate and the reciprocal of the number of particles. This function was used to extrapolate the exchange rate to a system of macroscopic size. The standard exchange current density calculated from this value was 5.24 x10-6 A cm2. he morphological evolution of the filmas a function of the time was also studied.
publishDate 2005
dc.date.none.fl_str_mv 2005-03
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/158591
Rojas, Mariana Isabel; Giménez, María Cecilia; Leiva, Ezequiel Pedro M.; Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au; Elsevier Science; Surface Science; 581; 1; 3-2005; L109-L114
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/158591
identifier_str_mv Rojas, Mariana Isabel; Giménez, María Cecilia; Leiva, Ezequiel Pedro M.; Kinetic Monte Carlo simulation of Pt discontinuous thin film formation adsorbed on Au; Elsevier Science; Surface Science; 581; 1; 3-2005; L109-L114
0039-6028
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2005.02.030
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602805002025
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier Science
publisher.none.fl_str_mv Elsevier Science
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1854321794682454016
score 12.603104

Publicaciones similares