Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation

Autores
Quaino, Paola Monica; Schmickler, Wolfgang
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The structure and energetics of two types of oxygen-terminated diamond surfaces, the keto and ether configurations, were investigated by density functional theory. To explore OH generation, we studied the approach of a hydroxyl radical to these surfaces. The OH radical strongly interacted with the ether-type surface, whereas the radical was repelled in the keto configuration. The kinetics of OH generation in alkaline solutions (OH−↔OH+e−) on oxygen-terminated diamond electrodes was investigated in light of the theory of catalyzed electron transfer. Our results suggested that the electron transfer occurs in the outer-sphere mode with an activation energy of 0.5 eV.
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. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania. Institute of Theoretical Chemistry; Alemania
Materia
Oxygen-Terminated Diamond
Alkaline Media
Oh Generation
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:11336/31270
Acceder
id CONICETDig_c6d8337d00b843bb9aa1a0d3c72c708c
oai_identifier_str oai:ri.conicet.gov.ar:11336/31270
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH GenerationQuaino, Paola MonicaSchmickler, WolfgangOxygen-Terminated DiamondAlkaline MediaOh Generationhttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1The structure and energetics of two types of oxygen-terminated diamond surfaces, the keto and ether configurations, were investigated by density functional theory. To explore OH generation, we studied the approach of a hydroxyl radical to these surfaces. The OH radical strongly interacted with the ether-type surface, whereas the radical was repelled in the keto configuration. The kinetics of OH generation in alkaline solutions (OH−↔OH+e−) on oxygen-terminated diamond electrodes was investigated in light of the theory of catalyzed electron transfer. Our results suggested that the electron transfer occurs in the outer-sphere mode with an activation energy of 0.5 eV.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. Centro Científico Tecnológico Conicet - Santa Fe; ArgentinaFil: Schmickler, Wolfgang. Universitat Ulm; Alemania. Institute of Theoretical Chemistry; AlemaniaWiley2014-03info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31270Schmickler, Wolfgang; Quaino, Paola Monica; Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation; Wiley; ChemElectroChem; 1; 5; 3-2014; 933-9392196-0216CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/celc.201300200/abstractinfo:eu-repo/semantics/altIdentifier/doi/10.1002/celc.201300200info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:43:37Zoai:ri.conicet.gov.ar:11336/31270instacron: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 09:43:37.337CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
title Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
spellingShingle Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
Quaino, Paola Monica
Oxygen-Terminated Diamond
Alkaline Media
Oh Generation
title_short Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
title_full Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
title_fullStr Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
title_full_unstemmed Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
title_sort Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation
dc.creator.none.fl_str_mv Quaino, Paola Monica
Schmickler, Wolfgang
author Quaino, Paola Monica
author_facet Quaino, Paola Monica
Schmickler, Wolfgang
author_role author
author2 Schmickler, Wolfgang
author2_role author
dc.subject.none.fl_str_mv Oxygen-Terminated Diamond
Alkaline Media
Oh Generation
topic Oxygen-Terminated Diamond
Alkaline Media
Oh Generation
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The structure and energetics of two types of oxygen-terminated diamond surfaces, the keto and ether configurations, were investigated by density functional theory. To explore OH generation, we studied the approach of a hydroxyl radical to these surfaces. The OH radical strongly interacted with the ether-type surface, whereas the radical was repelled in the keto configuration. The kinetics of OH generation in alkaline solutions (OH−↔OH+e−) on oxygen-terminated diamond electrodes was investigated in light of the theory of catalyzed electron transfer. Our results suggested that the electron transfer occurs in the outer-sphere mode with an activation energy of 0.5 eV.
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. Centro Científico Tecnológico Conicet - Santa Fe; Argentina
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania. Institute of Theoretical Chemistry; Alemania
description The structure and energetics of two types of oxygen-terminated diamond surfaces, the keto and ether configurations, were investigated by density functional theory. To explore OH generation, we studied the approach of a hydroxyl radical to these surfaces. The OH radical strongly interacted with the ether-type surface, whereas the radical was repelled in the keto configuration. The kinetics of OH generation in alkaline solutions (OH−↔OH+e−) on oxygen-terminated diamond electrodes was investigated in light of the theory of catalyzed electron transfer. Our results suggested that the electron transfer occurs in the outer-sphere mode with an activation energy of 0.5 eV.
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/11336/31270
Schmickler, Wolfgang; Quaino, Paola Monica; Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation; Wiley; ChemElectroChem; 1; 5; 3-2014; 933-939
2196-0216
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31270
identifier_str_mv Schmickler, Wolfgang; Quaino, Paola Monica; Oxygen-Terminated Diamond Electrodes in Alkaline Media: Structure and OH Generation; Wiley; ChemElectroChem; 1; 5; 3-2014; 933-939
2196-0216
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/celc.201300200/abstract
info:eu-repo/semantics/altIdentifier/doi/10.1002/celc.201300200
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 Wiley
publisher.none.fl_str_mv Wiley
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_ 1842268613776506880
score 13.13397

Publicaciones similares