Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces

Autores
Robina, A.; German, Estefania; Pronsato, Maria Estela; Juan, Alfredo; Matolinová, I.; Matolín, V.
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
In the present work, we have studied the interaction of palladium adsorbed on SnO2 (110) surfaces, considering the possible formation of clusters on the surface using density functional theory (DFT) calculations. We report structure, adsorption, and bonding properties of Pdn (n = 1–5) on stoichiometric and reduced SnO2 (110) surfaces. Although palladium can be adsorbed as metal clusters on both types of surfaces, these clusters can be more easily decomposed into Pd atoms on the reduced SnO2 surface. Pd interacts mainly with bridging O atoms on stoichiometric surfaces while it bonds strongly with Sn on the reduced surface.
Fil: Robina, A.. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ingeniería - Sede Comodoro; Argentina. Universidad Nacional del Sur; Argentina
Fil: German, Estefania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Matolinová, I.. Charles University in Prague; República Checa
Fil: Matolín, V.. Charles University in Prague; República Checa
Materia
Sno2
Palladium
Dft
Adsorption
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/29781
Acceder
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repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfacesRobina, A.German, EstefaniaPronsato, Maria EstelaJuan, AlfredoMatolinová, I.Matolín, V.Sno2PalladiumDftAdsorptionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1In the present work, we have studied the interaction of palladium adsorbed on SnO2 (110) surfaces, considering the possible formation of clusters on the surface using density functional theory (DFT) calculations. We report structure, adsorption, and bonding properties of Pdn (n = 1–5) on stoichiometric and reduced SnO2 (110) surfaces. Although palladium can be adsorbed as metal clusters on both types of surfaces, these clusters can be more easily decomposed into Pd atoms on the reduced SnO2 surface. Pd interacts mainly with bridging O atoms on stoichiometric surfaces while it bonds strongly with Sn on the reduced surface.Fil: Robina, A.. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ingeniería - Sede Comodoro; Argentina. Universidad Nacional del Sur; ArgentinaFil: German, Estefania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; ArgentinaFil: Matolinová, I.. Charles University in Prague; República ChecaFil: Matolín, V.. Charles University in Prague; República ChecaElsevier2014-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/29781Robina, A.; German, Estefania; Pronsato, Maria Estela; Juan, Alfredo; Matolinová, I.; et al.; Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces; Elsevier; Vacuum; 106; 3-2014; 86-930042-207XCONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.vacuum.2014.03.016info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0042207X14000943info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-10T13:23:10Zoai:ri.conicet.gov.ar:11336/29781instacron: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:34982025-09-10 13:23:10.363CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
title Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
spellingShingle Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
Robina, A.
Sno2
Palladium
Dft
Adsorption
title_short Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
title_full Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
title_fullStr Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
title_full_unstemmed Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
title_sort Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces
dc.creator.none.fl_str_mv Robina, A.
German, Estefania
Pronsato, Maria Estela
Juan, Alfredo
Matolinová, I.
Matolín, V.
author Robina, A.
author_facet Robina, A.
German, Estefania
Pronsato, Maria Estela
Juan, Alfredo
Matolinová, I.
Matolín, V.
author_role author
author2 German, Estefania
Pronsato, Maria Estela
Juan, Alfredo
Matolinová, I.
Matolín, V.
author2_role author
author
author
author
author
dc.subject.none.fl_str_mv Sno2
Palladium
Dft
Adsorption
topic Sno2
Palladium
Dft
Adsorption
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv In the present work, we have studied the interaction of palladium adsorbed on SnO2 (110) surfaces, considering the possible formation of clusters on the surface using density functional theory (DFT) calculations. We report structure, adsorption, and bonding properties of Pdn (n = 1–5) on stoichiometric and reduced SnO2 (110) surfaces. Although palladium can be adsorbed as metal clusters on both types of surfaces, these clusters can be more easily decomposed into Pd atoms on the reduced SnO2 surface. Pd interacts mainly with bridging O atoms on stoichiometric surfaces while it bonds strongly with Sn on the reduced surface.
Fil: Robina, A.. Universidad Nacional de la Patagonia "San Juan Bosco". Facultad de Ingeniería - Sede Comodoro; Argentina. Universidad Nacional del Sur; Argentina
Fil: German, Estefania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Pronsato, Maria Estela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Juan, Alfredo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina
Fil: Matolinová, I.. Charles University in Prague; República Checa
Fil: Matolín, V.. Charles University in Prague; República Checa
description In the present work, we have studied the interaction of palladium adsorbed on SnO2 (110) surfaces, considering the possible formation of clusters on the surface using density functional theory (DFT) calculations. We report structure, adsorption, and bonding properties of Pdn (n = 1–5) on stoichiometric and reduced SnO2 (110) surfaces. Although palladium can be adsorbed as metal clusters on both types of surfaces, these clusters can be more easily decomposed into Pd atoms on the reduced SnO2 surface. Pd interacts mainly with bridging O atoms on stoichiometric surfaces while it bonds strongly with Sn on the reduced surface.
publishDate 2014
dc.date.none.fl_str_mv 2014-03
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/11336/29781
Robina, A.; German, Estefania; Pronsato, Maria Estela; Juan, Alfredo; Matolinová, I.; et al.; Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces; Elsevier; Vacuum; 106; 3-2014; 86-93
0042-207X
CONICET Digital
CONICET
url http://hdl.handle.net/11336/29781
identifier_str_mv Robina, A.; German, Estefania; Pronsato, Maria Estela; Juan, Alfredo; Matolinová, I.; et al.; Electronic structure and bonding of small Pd clusters on stoichiometric and reduced SnO2(110) surfaces; Elsevier; Vacuum; 106; 3-2014; 86-93
0042-207X
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.vacuum.2014.03.016
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0042207X14000943
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
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
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score 12.48226

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