Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters

Autores
Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zgrablich, Giorgio; Henry, Claude R.
Año de publicación
2003
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The kinetics of the NO-CO reaction on Pd nanoclusters is studied through a lattice-gas model and Monte Carlo simulation. Pd nanoclusters with three typical sizes: 2.8 nm, 6.9 nm and 15.6 nm, are considered. These nanoclusters have been epitaxially grown on MgO(100) and tested for the NO-CO reaction in previous experimental work [ref. 9-11: C. H. F. Peden, D. W. Goodman, D. S. Blair, P. J. Berlowitz, G. B. Fisher and S. H. Oh, J. Phys. Chem., 1988, 92, 1563; C. Duriez, C. R. Henry and C. Chapon, Surf. Sci., 1991, 253, 190; L. Piccolo and C. R. Henry, Appl. Surf. Sci., 2000, 162-163, 670], thus providing the motivation for the present study. According to their size, the nanoclusters present different proportions of Pd(100) and Pd(111) facets. The effects of CO and NO desorption are found to be of fundamental importance for the behavior of the system. In all cases the medium size particles are found to be the most active. At low temperature, where NO desorption can be neglected (since the activation energy for desorption of NO on Pd is about 5 kcal mol-1 greater than that for the desorption of CO), the largest particles are revealed as the less active, while at high temperature, where both NO and CO desorption take place, the smallest particles are found to be the less active. These results are in concordance with the experimentally observed behavior.
Fil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis; Argentina
Fil: Uñac, Rodolfo Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Zgrablich, Giorgio. Universidad Autónoma Metropolitana; México
Fil: Henry, Claude R.. Centre National de la Recherche Scientifique; Francia
Materia
CATALYTIC REACTION
PD NANOCLUSTER
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:11336/136297
Acceder
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network_name_str CONICET Digital (CONICET)
spelling Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclustersBustos Giunta, Victor AngelUñac, Rodolfo OmarZgrablich, GiorgioHenry, Claude R.CATALYTIC REACTIONPD NANOCLUSTERhttps://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The kinetics of the NO-CO reaction on Pd nanoclusters is studied through a lattice-gas model and Monte Carlo simulation. Pd nanoclusters with three typical sizes: 2.8 nm, 6.9 nm and 15.6 nm, are considered. These nanoclusters have been epitaxially grown on MgO(100) and tested for the NO-CO reaction in previous experimental work [ref. 9-11: C. H. F. Peden, D. W. Goodman, D. S. Blair, P. J. Berlowitz, G. B. Fisher and S. H. Oh, J. Phys. Chem., 1988, 92, 1563; C. Duriez, C. R. Henry and C. Chapon, Surf. Sci., 1991, 253, 190; L. Piccolo and C. R. Henry, Appl. Surf. Sci., 2000, 162-163, 670], thus providing the motivation for the present study. According to their size, the nanoclusters present different proportions of Pd(100) and Pd(111) facets. The effects of CO and NO desorption are found to be of fundamental importance for the behavior of the system. In all cases the medium size particles are found to be the most active. At low temperature, where NO desorption can be neglected (since the activation energy for desorption of NO on Pd is about 5 kcal mol-1 greater than that for the desorption of CO), the largest particles are revealed as the less active, while at high temperature, where both NO and CO desorption take place, the smallest particles are found to be the less active. These results are in concordance with the experimentally observed behavior.Fil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis; ArgentinaFil: Uñac, Rodolfo Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; ArgentinaFil: Zgrablich, Giorgio. Universidad Autónoma Metropolitana; MéxicoFil: Henry, Claude R.. Centre National de la Recherche Scientifique; FranciaRoyal Society of Chemistry2003-07info: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/11336/136297Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zgrablich, Giorgio; Henry, Claude R.; Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 5; 13; 7-2003; 2906-29121463-90761463-9084CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/content/articlelanding/2003/CP/B302778Cinfo:eu-repo/semantics/altIdentifier/doi/10.1039/B302778Cinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:56:29Zoai:ri.conicet.gov.ar:11336/136297instacron: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 09:56:30.243CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
title Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
spellingShingle Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
Bustos Giunta, Victor Angel
CATALYTIC REACTION
PD NANOCLUSTER
title_short Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
title_full Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
title_fullStr Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
title_full_unstemmed Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
title_sort Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters
dc.creator.none.fl_str_mv Bustos Giunta, Victor Angel
Uñac, Rodolfo Omar
Zgrablich, Giorgio
Henry, Claude R.
author Bustos Giunta, Victor Angel
author_facet Bustos Giunta, Victor Angel
Uñac, Rodolfo Omar
Zgrablich, Giorgio
Henry, Claude R.
author_role author
author2 Uñac, Rodolfo Omar
Zgrablich, Giorgio
Henry, Claude R.
author2_role author
author
author
dc.subject.none.fl_str_mv CATALYTIC REACTION
PD NANOCLUSTER
topic CATALYTIC REACTION
PD NANOCLUSTER
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The kinetics of the NO-CO reaction on Pd nanoclusters is studied through a lattice-gas model and Monte Carlo simulation. Pd nanoclusters with three typical sizes: 2.8 nm, 6.9 nm and 15.6 nm, are considered. These nanoclusters have been epitaxially grown on MgO(100) and tested for the NO-CO reaction in previous experimental work [ref. 9-11: C. H. F. Peden, D. W. Goodman, D. S. Blair, P. J. Berlowitz, G. B. Fisher and S. H. Oh, J. Phys. Chem., 1988, 92, 1563; C. Duriez, C. R. Henry and C. Chapon, Surf. Sci., 1991, 253, 190; L. Piccolo and C. R. Henry, Appl. Surf. Sci., 2000, 162-163, 670], thus providing the motivation for the present study. According to their size, the nanoclusters present different proportions of Pd(100) and Pd(111) facets. The effects of CO and NO desorption are found to be of fundamental importance for the behavior of the system. In all cases the medium size particles are found to be the most active. At low temperature, where NO desorption can be neglected (since the activation energy for desorption of NO on Pd is about 5 kcal mol-1 greater than that for the desorption of CO), the largest particles are revealed as the less active, while at high temperature, where both NO and CO desorption take place, the smallest particles are found to be the less active. These results are in concordance with the experimentally observed behavior.
Fil: Bustos Giunta, Victor Angel. Universidad Nacional de San Luis; Argentina
Fil: Uñac, Rodolfo Omar. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich". Universidad Nacional de San Luis. Facultad de Ciencias Físico Matemáticas y Naturales. Instituto de Física Aplicada "Dr. Jorge Andrés Zgrablich"; Argentina
Fil: Zgrablich, Giorgio. Universidad Autónoma Metropolitana; México
Fil: Henry, Claude R.. Centre National de la Recherche Scientifique; Francia
description The kinetics of the NO-CO reaction on Pd nanoclusters is studied through a lattice-gas model and Monte Carlo simulation. Pd nanoclusters with three typical sizes: 2.8 nm, 6.9 nm and 15.6 nm, are considered. These nanoclusters have been epitaxially grown on MgO(100) and tested for the NO-CO reaction in previous experimental work [ref. 9-11: C. H. F. Peden, D. W. Goodman, D. S. Blair, P. J. Berlowitz, G. B. Fisher and S. H. Oh, J. Phys. Chem., 1988, 92, 1563; C. Duriez, C. R. Henry and C. Chapon, Surf. Sci., 1991, 253, 190; L. Piccolo and C. R. Henry, Appl. Surf. Sci., 2000, 162-163, 670], thus providing the motivation for the present study. According to their size, the nanoclusters present different proportions of Pd(100) and Pd(111) facets. The effects of CO and NO desorption are found to be of fundamental importance for the behavior of the system. In all cases the medium size particles are found to be the most active. At low temperature, where NO desorption can be neglected (since the activation energy for desorption of NO on Pd is about 5 kcal mol-1 greater than that for the desorption of CO), the largest particles are revealed as the less active, while at high temperature, where both NO and CO desorption take place, the smallest particles are found to be the less active. These results are in concordance with the experimentally observed behavior.
publishDate 2003
dc.date.none.fl_str_mv 2003-07
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/11336/136297
Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zgrablich, Giorgio; Henry, Claude R.; Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 5; 13; 7-2003; 2906-2912
1463-9076
1463-9084
CONICET Digital
CONICET
url http://hdl.handle.net/11336/136297
identifier_str_mv Bustos Giunta, Victor Angel; Uñac, Rodolfo Omar; Zgrablich, Giorgio; Henry, Claude R.; Lattice gas study of the kinetics of the NO-CO catalytic reaction on Pd nanoclusters; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 5; 13; 7-2003; 2906-2912
1463-9076
1463-9084
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://pubs.rsc.org/en/content/articlelanding/2003/CP/B302778C
info:eu-repo/semantics/altIdentifier/doi/10.1039/B302778C
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 Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
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 13.13397

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