Oxygen Reduction in Alkaline Media—a Discussion

Autores
Ignaczak, Anna; Nazmutdinov, Renat; Goduljan, Aleksej; de Campos Pinto, Leandro Moreira; Juarez, Fernanda; Quaino, Paola Monica; Belletti, Gustavo Daniel; Santos, Elizabeth del Carmen; Schmickler, Wolfgang
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We propose a complete reaction sequence for oxygen reduction in alkaline solutions, in which the first two steps occur in the outer sphere mode. The oxygen-oxygen bond is broken in the third step, which involves adsorption of OH, which is desorbed in the last step. We have investigated the sequence by quantum-chemical methods and determined the energies of activation. Whether the reaction follows a four- or a two-electron mechanism, depends critically on the energy of adsorption of OH. We surmise that our mechanism holds on all electrodes which interact weakly with oxygen, in particular on gold, silver, and graphite. We explain, why Au(100) is a better catalyst than Au(111), why at high overpotentials the reaction on Au(100) reverts to a two-electron mechanism, and why this does not happen on silver. [Figure not available: see fulltext.]
Fil: Ignaczak, Anna. University Of Lodz; Argentina
Fil: Nazmutdinov, Renat. Kazan National Research Technological University; Rusia
Fil: Goduljan, Aleksej. Universitat Ulm; Alemania
Fil: de Campos Pinto, Leandro Moreira. Universitat Ulm; Alemania. Instituto de Química Universidade Federal de Mato Grosso do Sul; Brasil
Fil: Juarez, Fernanda. Universitat Ulm; Alemania
Fil: Quaino, Paola Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina
Fil: Belletti, Gustavo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina
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
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania
Materia
Alkaline Fuel Cells
Dft
Electron Transfer
Oxygen Reduction
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:11336/66108
Acceder
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network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Oxygen Reduction in Alkaline Media—a DiscussionIgnaczak, AnnaNazmutdinov, RenatGoduljan, Aleksejde Campos Pinto, Leandro MoreiraJuarez, FernandaQuaino, Paola MonicaBelletti, Gustavo DanielSantos, Elizabeth del CarmenSchmickler, WolfgangAlkaline Fuel CellsDftElectron TransferOxygen Reductionhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1We propose a complete reaction sequence for oxygen reduction in alkaline solutions, in which the first two steps occur in the outer sphere mode. The oxygen-oxygen bond is broken in the third step, which involves adsorption of OH, which is desorbed in the last step. We have investigated the sequence by quantum-chemical methods and determined the energies of activation. Whether the reaction follows a four- or a two-electron mechanism, depends critically on the energy of adsorption of OH. We surmise that our mechanism holds on all electrodes which interact weakly with oxygen, in particular on gold, silver, and graphite. We explain, why Au(100) is a better catalyst than Au(111), why at high overpotentials the reaction on Au(100) reverts to a two-electron mechanism, and why this does not happen on silver. [Figure not available: see fulltext.]Fil: Ignaczak, Anna. University Of Lodz; ArgentinaFil: Nazmutdinov, Renat. Kazan National Research Technological University; RusiaFil: Goduljan, Aleksej. Universitat Ulm; AlemaniaFil: de Campos Pinto, Leandro Moreira. Universitat Ulm; Alemania. Instituto de Química Universidade Federal de Mato Grosso do Sul; BrasilFil: Juarez, Fernanda. Universitat Ulm; AlemaniaFil: Quaino, Paola Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; ArgentinaFil: Belletti, Gustavo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; ArgentinaFil: 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; ArgentinaFil: Schmickler, Wolfgang. Universitat Ulm; AlemaniaSpringer New York LLC2017-11info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/66108Ignaczak, Anna; Nazmutdinov, Renat; Goduljan, Aleksej; de Campos Pinto, Leandro Moreira; Juarez, Fernanda; et al.; Oxygen Reduction in Alkaline Media—a Discussion; Springer New York LLC; Electrocatalysis; 8; 6; 11-2017; 554-5641868-5994CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://link.springer.com/article/10.1007/s12678-017-0365-yinfo:eu-repo/semantics/altIdentifier/doi/10.1007/s12678-017-0365-yinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:46:24Zoai:ri.conicet.gov.ar:11336/66108instacron: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 09:46:24.787CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Oxygen Reduction in Alkaline Media—a Discussion
title Oxygen Reduction in Alkaline Media—a Discussion
spellingShingle Oxygen Reduction in Alkaline Media—a Discussion
Ignaczak, Anna
Alkaline Fuel Cells
Dft
Electron Transfer
Oxygen Reduction
title_short Oxygen Reduction in Alkaline Media—a Discussion
title_full Oxygen Reduction in Alkaline Media—a Discussion
title_fullStr Oxygen Reduction in Alkaline Media—a Discussion
title_full_unstemmed Oxygen Reduction in Alkaline Media—a Discussion
title_sort Oxygen Reduction in Alkaline Media—a Discussion
dc.creator.none.fl_str_mv Ignaczak, Anna
Nazmutdinov, Renat
Goduljan, Aleksej
de Campos Pinto, Leandro Moreira
Juarez, Fernanda
Quaino, Paola Monica
Belletti, Gustavo Daniel
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author Ignaczak, Anna
author_facet Ignaczak, Anna
Nazmutdinov, Renat
Goduljan, Aleksej
de Campos Pinto, Leandro Moreira
Juarez, Fernanda
Quaino, Paola Monica
Belletti, Gustavo Daniel
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author_role author
author2 Nazmutdinov, Renat
Goduljan, Aleksej
de Campos Pinto, Leandro Moreira
Juarez, Fernanda
Quaino, Paola Monica
Belletti, Gustavo Daniel
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author2_role author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Alkaline Fuel Cells
Dft
Electron Transfer
Oxygen Reduction
topic Alkaline Fuel Cells
Dft
Electron Transfer
Oxygen Reduction
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv We propose a complete reaction sequence for oxygen reduction in alkaline solutions, in which the first two steps occur in the outer sphere mode. The oxygen-oxygen bond is broken in the third step, which involves adsorption of OH, which is desorbed in the last step. We have investigated the sequence by quantum-chemical methods and determined the energies of activation. Whether the reaction follows a four- or a two-electron mechanism, depends critically on the energy of adsorption of OH. We surmise that our mechanism holds on all electrodes which interact weakly with oxygen, in particular on gold, silver, and graphite. We explain, why Au(100) is a better catalyst than Au(111), why at high overpotentials the reaction on Au(100) reverts to a two-electron mechanism, and why this does not happen on silver. [Figure not available: see fulltext.]
Fil: Ignaczak, Anna. University Of Lodz; Argentina
Fil: Nazmutdinov, Renat. Kazan National Research Technological University; Rusia
Fil: Goduljan, Aleksej. Universitat Ulm; Alemania
Fil: de Campos Pinto, Leandro Moreira. Universitat Ulm; Alemania. Instituto de Química Universidade Federal de Mato Grosso do Sul; Brasil
Fil: Juarez, Fernanda. Universitat Ulm; Alemania
Fil: Quaino, Paola Monica. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina
Fil: Belletti, Gustavo Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Universidad Nacional del Litoral. Facultad de Ingeniería Química. Programa de Electroquímica Aplicada e Ingeniería Electroquímica; Argentina
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
Fil: Schmickler, Wolfgang. Universitat Ulm; Alemania
description We propose a complete reaction sequence for oxygen reduction in alkaline solutions, in which the first two steps occur in the outer sphere mode. The oxygen-oxygen bond is broken in the third step, which involves adsorption of OH, which is desorbed in the last step. We have investigated the sequence by quantum-chemical methods and determined the energies of activation. Whether the reaction follows a four- or a two-electron mechanism, depends critically on the energy of adsorption of OH. We surmise that our mechanism holds on all electrodes which interact weakly with oxygen, in particular on gold, silver, and graphite. We explain, why Au(100) is a better catalyst than Au(111), why at high overpotentials the reaction on Au(100) reverts to a two-electron mechanism, and why this does not happen on silver. [Figure not available: see fulltext.]
publishDate 2017
dc.date.none.fl_str_mv 2017-11
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/11336/66108
Ignaczak, Anna; Nazmutdinov, Renat; Goduljan, Aleksej; de Campos Pinto, Leandro Moreira; Juarez, Fernanda; et al.; Oxygen Reduction in Alkaline Media—a Discussion; Springer New York LLC; Electrocatalysis; 8; 6; 11-2017; 554-564
1868-5994
CONICET Digital
CONICET
url http://hdl.handle.net/11336/66108
identifier_str_mv Ignaczak, Anna; Nazmutdinov, Renat; Goduljan, Aleksej; de Campos Pinto, Leandro Moreira; Juarez, Fernanda; et al.; Oxygen Reduction in Alkaline Media—a Discussion; Springer New York LLC; Electrocatalysis; 8; 6; 11-2017; 554-564
1868-5994
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://link.springer.com/article/10.1007/s12678-017-0365-y
info:eu-repo/semantics/altIdentifier/doi/10.1007/s12678-017-0365-y
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
application/pdf
dc.publisher.none.fl_str_mv Springer New York LLC
publisher.none.fl_str_mv Springer New York LLC
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_ 1842268792359485440
score 13.13397

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