Volcano plots in hydrogen electrocatalysis: uses and abuses

Autores
Quaino, Paola Monica; Juarez, Maria Fernanda; Santos, Elizabeth del Carmen; Schmickler, Wolfgang
Año de publicación
2014
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Sabatier’s principle suggests, that for hydrogen evolution a plot of the rate constant versus the hydrogen adsorption energy should result in a volcano, and several such plots have been presented in the literature. A thorough examination of the data shows, that there is no volcano once the oxide-covered metals are left out. We examine the factors that govern the reaction rate in the light of our own theory and conclude, that Sabatier’s principle is only one of several factors that determine the rate. With the exception of nickel and cobalt, the reaction rate does not decrease for highly exothermic hydrogen adsorption as predicted, because the reaction passes through more suitable intermediate states. The case of nickel is given special attention; since it is a 3d metal, its orbitals are compact and the overlap with hydrogen is too low to make it a good catalyst.
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: Juarez, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; Alemania
Fil: Santos, Elizabeth del Carmen. Institute of Theoretical Chemistry; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Schmickler, Wolfgang. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; Alemania
Materia
Electrocatalysis
Hydrogen evolution
Sabatier's principle
Volcano curve
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/31169
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Volcano plots in hydrogen electrocatalysis: uses and abusesQuaino, Paola MonicaJuarez, Maria FernandaSantos, Elizabeth del CarmenSchmickler, WolfgangElectrocatalysisHydrogen evolutionSabatier's principleVolcano curvehttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Sabatier’s principle suggests, that for hydrogen evolution a plot of the rate constant versus the hydrogen adsorption energy should result in a volcano, and several such plots have been presented in the literature. A thorough examination of the data shows, that there is no volcano once the oxide-covered metals are left out. We examine the factors that govern the reaction rate in the light of our own theory and conclude, that Sabatier’s principle is only one of several factors that determine the rate. With the exception of nickel and cobalt, the reaction rate does not decrease for highly exothermic hydrogen adsorption as predicted, because the reaction passes through more suitable intermediate states. The case of nickel is given special attention; since it is a 3d metal, its orbitals are compact and the overlap with hydrogen is too low to make it a good catalyst.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: Juarez, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; AlemaniaFil: Santos, Elizabeth del Carmen. Institute of Theoretical Chemistry; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; ArgentinaFil: Schmickler, Wolfgang. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; AlemaniaBeilstein-Institut2014-06info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/31169Schmickler, Wolfgang; Santos, Elizabeth del Carmen; Juarez, Maria Fernanda; Quaino, Paola Monica; Volcano plots in hydrogen electrocatalysis: uses and abuses; Beilstein-Institut; Beilstein Journal of Nanotechnology; 5; 6-2014; 846-8542190-4286CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://www.beilstein-journals.org/bjnano/articles/5/96info:eu-repo/semantics/altIdentifier/doi/10.3762/bjnano.5.96info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T10:41:47Zoai:ri.conicet.gov.ar:11336/31169instacron: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:34982025-09-29 10:41:48.117CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Volcano plots in hydrogen electrocatalysis: uses and abuses
title Volcano plots in hydrogen electrocatalysis: uses and abuses
spellingShingle Volcano plots in hydrogen electrocatalysis: uses and abuses
Quaino, Paola Monica
Electrocatalysis
Hydrogen evolution
Sabatier's principle
Volcano curve
title_short Volcano plots in hydrogen electrocatalysis: uses and abuses
title_full Volcano plots in hydrogen electrocatalysis: uses and abuses
title_fullStr Volcano plots in hydrogen electrocatalysis: uses and abuses
title_full_unstemmed Volcano plots in hydrogen electrocatalysis: uses and abuses
title_sort Volcano plots in hydrogen electrocatalysis: uses and abuses
dc.creator.none.fl_str_mv Quaino, Paola Monica
Juarez, Maria Fernanda
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author Quaino, Paola Monica
author_facet Quaino, Paola Monica
Juarez, Maria Fernanda
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author_role author
author2 Juarez, Maria Fernanda
Santos, Elizabeth del Carmen
Schmickler, Wolfgang
author2_role author
author
author
dc.subject.none.fl_str_mv Electrocatalysis
Hydrogen evolution
Sabatier's principle
Volcano curve
topic Electrocatalysis
Hydrogen evolution
Sabatier's principle
Volcano curve
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Sabatier’s principle suggests, that for hydrogen evolution a plot of the rate constant versus the hydrogen adsorption energy should result in a volcano, and several such plots have been presented in the literature. A thorough examination of the data shows, that there is no volcano once the oxide-covered metals are left out. We examine the factors that govern the reaction rate in the light of our own theory and conclude, that Sabatier’s principle is only one of several factors that determine the rate. With the exception of nickel and cobalt, the reaction rate does not decrease for highly exothermic hydrogen adsorption as predicted, because the reaction passes through more suitable intermediate states. The case of nickel is given special attention; since it is a 3d metal, its orbitals are compact and the overlap with hydrogen is too low to make it a good catalyst.
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: Juarez, Maria Fernanda. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe; Argentina. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; Alemania
Fil: Santos, Elizabeth del Carmen. Institute of Theoretical Chemistry; Alemania. 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. Universidad Nacional de Córdoba. Facultad de Matemática, Astronomía y Física; Argentina
Fil: Schmickler, Wolfgang. Institute of Theoretical Chemistry; Alemania. Universitat Ulm; Alemania
description Sabatier’s principle suggests, that for hydrogen evolution a plot of the rate constant versus the hydrogen adsorption energy should result in a volcano, and several such plots have been presented in the literature. A thorough examination of the data shows, that there is no volcano once the oxide-covered metals are left out. We examine the factors that govern the reaction rate in the light of our own theory and conclude, that Sabatier’s principle is only one of several factors that determine the rate. With the exception of nickel and cobalt, the reaction rate does not decrease for highly exothermic hydrogen adsorption as predicted, because the reaction passes through more suitable intermediate states. The case of nickel is given special attention; since it is a 3d metal, its orbitals are compact and the overlap with hydrogen is too low to make it a good catalyst.
publishDate 2014
dc.date.none.fl_str_mv 2014-06
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/11336/31169
Schmickler, Wolfgang; Santos, Elizabeth del Carmen; Juarez, Maria Fernanda; Quaino, Paola Monica; Volcano plots in hydrogen electrocatalysis: uses and abuses; Beilstein-Institut; Beilstein Journal of Nanotechnology; 5; 6-2014; 846-854
2190-4286
CONICET Digital
CONICET
url http://hdl.handle.net/11336/31169
identifier_str_mv Schmickler, Wolfgang; Santos, Elizabeth del Carmen; Juarez, Maria Fernanda; Quaino, Paola Monica; Volcano plots in hydrogen electrocatalysis: uses and abuses; Beilstein-Institut; Beilstein Journal of Nanotechnology; 5; 6-2014; 846-854
2190-4286
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://www.beilstein-journals.org/bjnano/articles/5/96
info:eu-repo/semantics/altIdentifier/doi/10.3762/bjnano.5.96
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Beilstein-Institut
publisher.none.fl_str_mv Beilstein-Institut
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 13.070432

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