A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters

Autores
López, M. B.; Estiú, Guillermina; Castro, Eduardo Alberto; Arvia, Alejandro Jorge
Año de publicación
1992
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The development and reconstruction of surface structures formed by underpotential deposition (UPD) of Cu atoms on Pt(100) and Pt(111) clusters are approached through extended Hückel molecular orbital (EHMO) calculations applied to a statistical Cu atom deposition. These results allow us to obtain a qualitative description of the different stable configurations of Cu atoms on the Pt cluster surfaces in terms of the corresponding binding energies.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
Materia
Ciencias Exactas
Química
Extended Hückel molecular orbital
Copper electrodeposits
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-sa/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/118683
Acceder
id SEDICI_540e3c068bedd8925f42b9f170985018
oai_identifier_str oai:sedici.unlp.edu.ar:10915/118683
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clustersLópez, M. B.Estiú, GuillerminaCastro, Eduardo AlbertoArvia, Alejandro JorgeCiencias ExactasQuímicaExtended Hückel molecular orbitalCopper electrodepositsThe development and reconstruction of surface structures formed by underpotential deposition (UPD) of Cu atoms on Pt(100) and Pt(111) clusters are approached through extended Hückel molecular orbital (EHMO) calculations applied to a statistical Cu atom deposition. These results allow us to obtain a qualitative description of the different stable configurations of Cu atoms on the Pt cluster surfaces in terms of the corresponding binding energies.Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas1992info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf184-192http://sedici.unlp.edu.ar/handle/10915/118683enginfo:eu-repo/semantics/altIdentifier/issn/0039-6028info:eu-repo/semantics/altIdentifier/doi/10.1016/0039-6028(92)90623-Einfo:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T17:08:50Zoai:sedici.unlp.edu.ar:10915/118683Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 17:08:50.647SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
title A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
spellingShingle A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
López, M. B.
Ciencias Exactas
Química
Extended Hückel molecular orbital
Copper electrodeposits
title_short A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
title_full A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
title_fullStr A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
title_full_unstemmed A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
title_sort A semiempirical quantum approach to possible structures of copper electrodeposits at submonolayer and monolayer levels on Pt(100) and Pt(111) clusters
dc.creator.none.fl_str_mv López, M. B.
Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
author López, M. B.
author_facet López, M. B.
Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
author_role author
author2 Estiú, Guillermina
Castro, Eduardo Alberto
Arvia, Alejandro Jorge
author2_role author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Química
Extended Hückel molecular orbital
Copper electrodeposits
topic Ciencias Exactas
Química
Extended Hückel molecular orbital
Copper electrodeposits
dc.description.none.fl_txt_mv The development and reconstruction of surface structures formed by underpotential deposition (UPD) of Cu atoms on Pt(100) and Pt(111) clusters are approached through extended Hückel molecular orbital (EHMO) calculations applied to a statistical Cu atom deposition. These results allow us to obtain a qualitative description of the different stable configurations of Cu atoms on the Pt cluster surfaces in terms of the corresponding binding energies.
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas
description The development and reconstruction of surface structures formed by underpotential deposition (UPD) of Cu atoms on Pt(100) and Pt(111) clusters are approached through extended Hückel molecular orbital (EHMO) calculations applied to a statistical Cu atom deposition. These results allow us to obtain a qualitative description of the different stable configurations of Cu atoms on the Pt cluster surfaces in terms of the corresponding binding energies.
publishDate 1992
dc.date.none.fl_str_mv 1992
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
Articulo
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://sedici.unlp.edu.ar/handle/10915/118683
url http://sedici.unlp.edu.ar/handle/10915/118683
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0039-6028
info:eu-repo/semantics/altIdentifier/doi/10.1016/0039-6028(92)90623-E
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-sa/4.0/
Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
dc.format.none.fl_str_mv application/pdf
184-192
dc.source.none.fl_str_mv reponame:SEDICI (UNLP)
instname:Universidad Nacional de La Plata
instacron:UNLP
reponame_str SEDICI (UNLP)
collection SEDICI (UNLP)
instname_str Universidad Nacional de La Plata
instacron_str UNLP
institution UNLP
repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
repository.mail.fl_str_mv alira@sedici.unlp.edu.ar
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