Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study

Autores
Santos, Elizabeth del Carmen; Quaino, Paola Monica; Hindelang, Peter F.; Schmickler, Wolfgang
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Hydrogen evolution on a monolayer of copper on Ni(1 1 1) has been investigated by a combination of density functional theory and a model developed in our own group. The lattice constant of nickel is only about 2.5% shorter than that of copper; therefore the nickel substrate has only a minor effect on the surface d band of the adsorbed copper. However, there is a strong chemical effect which enhances the interaction of hydrogen with the Cu/Ni(1 1 1) surface as compared to Cu(1 1 1). Consequently, the adlayer promises to be a cheap catalyst that is significantly better than pure copper.
Fil: Santos, Elizabeth del Carmen. 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
Fil: Quaino, Paola Monica. Ulm University; Alemania. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Hindelang, Peter F.. Ulm University; Alemania
Fil: Schmickler, Wolfgang. Ulm University; Alemania
Materia
ELECTROCATALYSIS
HYDROGEN EVOLUTION REACTION
MONOLAYER
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:11336/186433
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical studySantos, Elizabeth del CarmenQuaino, Paola MonicaHindelang, Peter F.Schmickler, WolfgangELECTROCATALYSISHYDROGEN EVOLUTION REACTIONMONOLAYERhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Hydrogen evolution on a monolayer of copper on Ni(1 1 1) has been investigated by a combination of density functional theory and a model developed in our own group. The lattice constant of nickel is only about 2.5% shorter than that of copper; therefore the nickel substrate has only a minor effect on the surface d band of the adsorbed copper. However, there is a strong chemical effect which enhances the interaction of hydrogen with the Cu/Ni(1 1 1) surface as compared to Cu(1 1 1). Consequently, the adlayer promises to be a cheap catalyst that is significantly better than pure copper.Fil: Santos, Elizabeth del Carmen. 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; ArgentinaFil: Quaino, Paola Monica. Ulm University; Alemania. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Hindelang, Peter F.. Ulm University; AlemaniaFil: Schmickler, Wolfgang. Ulm University; AlemaniaElsevier Science SA2010-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/186433Santos, Elizabeth del Carmen; Quaino, Paola Monica; Hindelang, Peter F.; Schmickler, Wolfgang; Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study; Elsevier Science SA; Journal of Electroanalytical Chemistry; 649; 1-2; 2-2010; 149-1520022-0728CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.jelechem.2010.02.019info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S1572665710000718info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:50:49Zoai:ri.conicet.gov.ar:11336/186433instacron: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:34982025-10-22 11:50:50.203CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
title Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
spellingShingle Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
Santos, Elizabeth del Carmen
ELECTROCATALYSIS
HYDROGEN EVOLUTION REACTION
MONOLAYER
title_short Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
title_full Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
title_fullStr Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
title_full_unstemmed Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
title_sort Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study
dc.creator.none.fl_str_mv Santos, Elizabeth del Carmen
Quaino, Paola Monica
Hindelang, Peter F.
Schmickler, Wolfgang
author Santos, Elizabeth del Carmen
author_facet Santos, Elizabeth del Carmen
Quaino, Paola Monica
Hindelang, Peter F.
Schmickler, Wolfgang
author_role author
author2 Quaino, Paola Monica
Hindelang, Peter F.
Schmickler, Wolfgang
author2_role author
author
author
dc.subject.none.fl_str_mv ELECTROCATALYSIS
HYDROGEN EVOLUTION REACTION
MONOLAYER
topic ELECTROCATALYSIS
HYDROGEN EVOLUTION REACTION
MONOLAYER
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Hydrogen evolution on a monolayer of copper on Ni(1 1 1) has been investigated by a combination of density functional theory and a model developed in our own group. The lattice constant of nickel is only about 2.5% shorter than that of copper; therefore the nickel substrate has only a minor effect on the surface d band of the adsorbed copper. However, there is a strong chemical effect which enhances the interaction of hydrogen with the Cu/Ni(1 1 1) surface as compared to Cu(1 1 1). Consequently, the adlayer promises to be a cheap catalyst that is significantly better than pure copper.
Fil: Santos, Elizabeth del Carmen. 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
Fil: Quaino, Paola Monica. Ulm University; Alemania. Universidad Nacional del Litoral; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Hindelang, Peter F.. Ulm University; Alemania
Fil: Schmickler, Wolfgang. Ulm University; Alemania
description Hydrogen evolution on a monolayer of copper on Ni(1 1 1) has been investigated by a combination of density functional theory and a model developed in our own group. The lattice constant of nickel is only about 2.5% shorter than that of copper; therefore the nickel substrate has only a minor effect on the surface d band of the adsorbed copper. However, there is a strong chemical effect which enhances the interaction of hydrogen with the Cu/Ni(1 1 1) surface as compared to Cu(1 1 1). Consequently, the adlayer promises to be a cheap catalyst that is significantly better than pure copper.
publishDate 2010
dc.date.none.fl_str_mv 2010-02
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/11336/186433
Santos, Elizabeth del Carmen; Quaino, Paola Monica; Hindelang, Peter F.; Schmickler, Wolfgang; Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study; Elsevier Science SA; Journal of Electroanalytical Chemistry; 649; 1-2; 2-2010; 149-152
0022-0728
CONICET Digital
CONICET
url http://hdl.handle.net/11336/186433
identifier_str_mv Santos, Elizabeth del Carmen; Quaino, Paola Monica; Hindelang, Peter F.; Schmickler, Wolfgang; Hydrogen evolution on a pseudomorphic Cu-layer on Ni(111) - a theoretical study; Elsevier Science SA; Journal of Electroanalytical Chemistry; 649; 1-2; 2-2010; 149-152
0022-0728
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.jelechem.2010.02.019
info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S1572665710000718
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
dc.publisher.none.fl_str_mv Elsevier Science SA
publisher.none.fl_str_mv Elsevier Science SA
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 12.982451

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