Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species

Autores
Arce, Mauricio Damián; Quaino, Paola Monica; Santos, Elizabeth del Carmen
Año de publicación
2012
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We perform a detailed analysis of the modifications in the electronic properties when an OH radical adsorbs on Pt(1 1 1). On the basis of first principle calculations, we provide an overview of the interface at the atomic level at low coverages (1/9 of a monolayer). The electronic factors that govern the adsorption phenomenon are discussed. The interaction of the electronic states involved in the bond formation is investigated. In this context, we examine the charge redistribution and the projected density of states onto the different participating atoms and orbitals. We establish a comprehensive picture which provides a valuable guideline to understand the complicated interplay of the electronic states in the formation of bonds.
Fil: Arce, Mauricio Damián. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
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
Materia
Hydroxyl
Platinum
Density Functional Calculations
Density of States
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:11336/25675
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH speciesArce, Mauricio DamiánQuaino, Paola MonicaSantos, Elizabeth del CarmenHydroxylPlatinumDensity Functional CalculationsDensity of Stateshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We perform a detailed analysis of the modifications in the electronic properties when an OH radical adsorbs on Pt(1 1 1). On the basis of first principle calculations, we provide an overview of the interface at the atomic level at low coverages (1/9 of a monolayer). The electronic factors that govern the adsorption phenomenon are discussed. The interaction of the electronic states involved in the bond formation is investigated. In this context, we examine the charge redistribution and the projected density of states onto the different participating atoms and orbitals. We establish a comprehensive picture which provides a valuable guideline to understand the complicated interplay of the electronic states in the formation of bonds.Fil: Arce, Mauricio Damián. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: 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; ArgentinaElsevier Science2012-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/25675Arce, Mauricio Damián; Quaino, Paola Monica; Santos, Elizabeth del Carmen; Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species; Elsevier Science; Catalysis Today; 202; 6-2012; 120-1270920-5861CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1016/j.cattod.2012.04.062info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0920586112003501info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-nd/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T14:48:34Zoai:ri.conicet.gov.ar:11336/25675instacron: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:34982025-10-15 14:48:35.175CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
title Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
spellingShingle Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
Arce, Mauricio Damián
Hydroxyl
Platinum
Density Functional Calculations
Density of States
title_short Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
title_full Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
title_fullStr Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
title_full_unstemmed Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
title_sort Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species
dc.creator.none.fl_str_mv Arce, Mauricio Damián
Quaino, Paola Monica
Santos, Elizabeth del Carmen
author Arce, Mauricio Damián
author_facet Arce, Mauricio Damián
Quaino, Paola Monica
Santos, Elizabeth del Carmen
author_role author
author2 Quaino, Paola Monica
Santos, Elizabeth del Carmen
author2_role author
author
dc.subject.none.fl_str_mv Hydroxyl
Platinum
Density Functional Calculations
Density of States
topic Hydroxyl
Platinum
Density Functional Calculations
Density of States
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We perform a detailed analysis of the modifications in the electronic properties when an OH radical adsorbs on Pt(1 1 1). On the basis of first principle calculations, we provide an overview of the interface at the atomic level at low coverages (1/9 of a monolayer). The electronic factors that govern the adsorption phenomenon are discussed. The interaction of the electronic states involved in the bond formation is investigated. In this context, we examine the charge redistribution and the projected density of states onto the different participating atoms and orbitals. We establish a comprehensive picture which provides a valuable guideline to understand the complicated interplay of the electronic states in the formation of bonds.
Fil: Arce, Mauricio Damián. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Quaino, Paola Monica. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
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
description We perform a detailed analysis of the modifications in the electronic properties when an OH radical adsorbs on Pt(1 1 1). On the basis of first principle calculations, we provide an overview of the interface at the atomic level at low coverages (1/9 of a monolayer). The electronic factors that govern the adsorption phenomenon are discussed. The interaction of the electronic states involved in the bond formation is investigated. In this context, we examine the charge redistribution and the projected density of states onto the different participating atoms and orbitals. We establish a comprehensive picture which provides a valuable guideline to understand the complicated interplay of the electronic states in the formation of bonds.
publishDate 2012
dc.date.none.fl_str_mv 2012-06
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/11336/25675
Arce, Mauricio Damián; Quaino, Paola Monica; Santos, Elizabeth del Carmen; Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species; Elsevier Science; Catalysis Today; 202; 6-2012; 120-127
0920-5861
CONICET Digital
CONICET
url http://hdl.handle.net/11336/25675
identifier_str_mv Arce, Mauricio Damián; Quaino, Paola Monica; Santos, Elizabeth del Carmen; Electronic changes at the Pt(1 1 1) interface induced by the adsorption of OH species; Elsevier Science; Catalysis Today; 202; 6-2012; 120-127
0920-5861
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.cattod.2012.04.062
info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0920586112003501
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
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score 13.22299

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