Catalytic properties of Au electrodes modified by an underlayer of Pd

Autores
Juarez, Maria Fernanda; Soldano, Germán; Guesmi, Hazar; Tielens, Frederik; Santos, Elizabeth del Carmen
Año de publicación
2015
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis.
Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Soldano, Germán. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Guesmi, Hazar. Institut Charles Gerhardt Montpellier; Francia
Fil: Tielens, Frederik. Universite Pierre et Marie Curie; Francia
Fil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
Materia
Density Functional Theory
Electrocatalysis
Electronic Structure
Gold-Palladium Alloys
Hydrogen Adsorption-Absorption-Storage
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:11336/37424
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/37424
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Catalytic properties of Au electrodes modified by an underlayer of PdJuarez, Maria FernandaSoldano, GermánGuesmi, HazarTielens, FrederikSantos, Elizabeth del CarmenDensity Functional TheoryElectrocatalysisElectronic StructureGold-Palladium AlloysHydrogen Adsorption-Absorption-Storagehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis.Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Soldano, Germán. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Guesmi, Hazar. Institut Charles Gerhardt Montpellier; FranciaFil: Tielens, Frederik. Universite Pierre et Marie Curie; FranciaFil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; ArgentinaElsevier Science2015-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/37424Juarez, Maria Fernanda; Soldano, Germán; Guesmi, Hazar; Tielens, Frederik; Santos, Elizabeth del Carmen; Catalytic properties of Au electrodes modified by an underlayer of Pd; Elsevier Science; Surface Science; 631; 1-2015; 235-2470039-6028CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.susc.2014.06.015info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602814001721info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:59:27Zoai:ri.conicet.gov.ar:11336/37424instacron: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:34982025-09-03 09:59:27.261CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Catalytic properties of Au electrodes modified by an underlayer of Pd
title Catalytic properties of Au electrodes modified by an underlayer of Pd
spellingShingle Catalytic properties of Au electrodes modified by an underlayer of Pd
Juarez, Maria Fernanda
Density Functional Theory
Electrocatalysis
Electronic Structure
Gold-Palladium Alloys
Hydrogen Adsorption-Absorption-Storage
title_short Catalytic properties of Au electrodes modified by an underlayer of Pd
title_full Catalytic properties of Au electrodes modified by an underlayer of Pd
title_fullStr Catalytic properties of Au electrodes modified by an underlayer of Pd
title_full_unstemmed Catalytic properties of Au electrodes modified by an underlayer of Pd
title_sort Catalytic properties of Au electrodes modified by an underlayer of Pd
dc.creator.none.fl_str_mv Juarez, Maria Fernanda
Soldano, Germán
Guesmi, Hazar
Tielens, Frederik
Santos, Elizabeth del Carmen
author Juarez, Maria Fernanda
author_facet Juarez, Maria Fernanda
Soldano, Germán
Guesmi, Hazar
Tielens, Frederik
Santos, Elizabeth del Carmen
author_role author
author2 Soldano, Germán
Guesmi, Hazar
Tielens, Frederik
Santos, Elizabeth del Carmen
author2_role author
author
author
author
dc.subject.none.fl_str_mv Density Functional Theory
Electrocatalysis
Electronic Structure
Gold-Palladium Alloys
Hydrogen Adsorption-Absorption-Storage
topic Density Functional Theory
Electrocatalysis
Electronic Structure
Gold-Palladium Alloys
Hydrogen Adsorption-Absorption-Storage
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis.
Fil: Juarez, Maria Fernanda. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Soldano, Germán. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Guesmi, Hazar. Institut Charles Gerhardt Montpellier; Francia
Fil: Tielens, Frederik. Universite Pierre et Marie Curie; Francia
Fil: Santos, Elizabeth del Carmen. Universitat Ulm; Alemania. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Física Enrique Gaviola. Universidad Nacional de Córdoba. Instituto de Física Enrique Gaviola; Argentina
description Bimetallic catalysts have manifold technological applications; their reactivity can greatly exceed that of the original single metals. In this work, we investigate an ideal model-system consisting of a complete monolayer of Pd underneath the surface of Au(111). First, we investigate the stability of this system, and then its interaction with hydrogen. We analyze in detail the energetics and the electronic interactions for the Volmer step of the hydrogen evolution reaction (HER), and the further absorption below the surface layer of gold. We combine Density Functional Theory based on computational techniques with the theory of electrocatalysis.
publishDate 2015
dc.date.none.fl_str_mv 2015-01
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/11336/37424
Juarez, Maria Fernanda; Soldano, Germán; Guesmi, Hazar; Tielens, Frederik; Santos, Elizabeth del Carmen; Catalytic properties of Au electrodes modified by an underlayer of Pd; Elsevier Science; Surface Science; 631; 1-2015; 235-247
0039-6028
CONICET Digital
CONICET
url http://hdl.handle.net/11336/37424
identifier_str_mv Juarez, Maria Fernanda; Soldano, Germán; Guesmi, Hazar; Tielens, Frederik; Santos, Elizabeth del Carmen; Catalytic properties of Au electrodes modified by an underlayer of Pd; Elsevier Science; Surface Science; 631; 1-2015; 235-247
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.2014.06.015
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0039602814001721
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
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_ 1842269580403146752
score 12.885934

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