Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?

The paper addresses possible ambiguities in the determination of the state of platinum species by the stretching frequency of a CO probe, which is a common technique for characterization of platinum-containing catalytic systems. We present a comprehensive comparison of the available experimental dat...

Descripción completa

Detalles Bibliográficos
Autores: Aleksandrov, Hristiyan A., Neyman, Konstantin M., Hadjiivanov, Konstantin I., Vayssilov, Georgi N.
Tipo de recurso: artículo
Estado:Versión aceptada para publicación
Fecha de publicación:2016
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/103344
Acceso en línea:https://hdl.handle.net/2445/103344
Access Level:acceso abierto
Palabra clave:Metalls de transició
Catàlisi
Platí
Adsorció
Transition metals
Catalysis
Platinum
Adsorption
id ES_1d3f2e4c7a0bbde1e5310f5e34979239
oai_identifier_str oai:diposit.ub.edu:2445/103344
network_acronym_str ES
network_name_str España
repository_id_str
spelling Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?Aleksandrov, Hristiyan A.Neyman, Konstantin M.Hadjiivanov, Konstantin I.Vayssilov, Georgi N.Metalls de transicióCatàlisiPlatíAdsorcióTransition metalsCatalysisPlatinumAdsorptionThe paper addresses possible ambiguities in the determination of the state of platinum species by the stretching frequency of a CO probe, which is a common technique for characterization of platinum-containing catalytic systems. We present a comprehensive comparison of the available experimental data with our theoretical modeling (density functional) results of pertinent systems - platinum surfaces, nanoparticles and clusters as well as reduced or oxidized platinum moieties on a ceria support. Our results for CO adsorbed on-top on metallic Pt0, with C-O vibrational frequencies in the region 2018-2077 cm−1, suggest that a decrease of the coordination number of the platinum atom, to which CO is bound, by one lowers the CO frequency by about 7 cm−1. This trend corroborates the Kappers-van der Maas correlation derived from the analysis of the experimental stretching frequency of CO adsorbed on platinum-containing samples on different supports. We also analyzed the effect of the charge of platinum species on the CO frequency. Based on the calculated vibrational frequencies of CO in various model systems, we concluded that the actual state of the platinum species may be mistaken based only on the measured value of the C-O vibrational frequency due to overlapping regions of frequencies corresponding to different types of species. In order to identify the actual state of platinum species one has to combine this powerful technique with other approaches.Royal Society of Chemistry2016info:eu-repo/semantics/articleinfo:eu-repo/semantics/acceptedVersionapplication/pdfhttps://hdl.handle.net/2445/103344Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésinfo:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP03988JVersió postprint del document publicat a: https://doi.org/10.1039/C6CP03988JPhysical Chemistry Chemical Physics, 2016, vol. 18, p. 22108-22121https://doi.org/10.1039/C6CP03988Jinfo:eu-repo/grantAgreement/EC/FP7/310191(c) Aleksandrov, Hristiyan A. et al., 2016info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1033442026-05-27T06:46:51Z
dc.title.none.fl_str_mv Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
title Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
spellingShingle Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
Aleksandrov, Hristiyan A.
Metalls de transició
Catàlisi
Platí
Adsorció
Transition metals
Catalysis
Platinum
Adsorption
title_short Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
title_full Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
title_fullStr Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
title_full_unstemmed Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
title_sort Can the state of platinum species be unambiguously determined by the stretching frequency of adsorbed CO probe molecule?
dc.creator.none.fl_str_mv Aleksandrov, Hristiyan A.
Neyman, Konstantin M.
Hadjiivanov, Konstantin I.
Vayssilov, Georgi N.
author Aleksandrov, Hristiyan A.
author_facet Aleksandrov, Hristiyan A.
Neyman, Konstantin M.
Hadjiivanov, Konstantin I.
Vayssilov, Georgi N.
author_role author
author2 Neyman, Konstantin M.
Hadjiivanov, Konstantin I.
Vayssilov, Georgi N.
author2_role author
author
author
dc.subject.none.fl_str_mv Metalls de transició
Catàlisi
Platí
Adsorció
Transition metals
Catalysis
Platinum
Adsorption
topic Metalls de transició
Catàlisi
Platí
Adsorció
Transition metals
Catalysis
Platinum
Adsorption
description The paper addresses possible ambiguities in the determination of the state of platinum species by the stretching frequency of a CO probe, which is a common technique for characterization of platinum-containing catalytic systems. We present a comprehensive comparison of the available experimental data with our theoretical modeling (density functional) results of pertinent systems - platinum surfaces, nanoparticles and clusters as well as reduced or oxidized platinum moieties on a ceria support. Our results for CO adsorbed on-top on metallic Pt0, with C-O vibrational frequencies in the region 2018-2077 cm−1, suggest that a decrease of the coordination number of the platinum atom, to which CO is bound, by one lowers the CO frequency by about 7 cm−1. This trend corroborates the Kappers-van der Maas correlation derived from the analysis of the experimental stretching frequency of CO adsorbed on platinum-containing samples on different supports. We also analyzed the effect of the charge of platinum species on the CO frequency. Based on the calculated vibrational frequencies of CO in various model systems, we concluded that the actual state of the platinum species may be mistaken based only on the measured value of the C-O vibrational frequency due to overlapping regions of frequencies corresponding to different types of species. In order to identify the actual state of platinum species one has to combine this powerful technique with other approaches.
publishDate 2016
dc.date.none.fl_str_mv 2016
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/acceptedVersion
format article
status_str acceptedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/103344
url https://hdl.handle.net/2445/103344
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1039/C6CP03988J
Versió postprint del document publicat a: https://doi.org/10.1039/C6CP03988J
Physical Chemistry Chemical Physics, 2016, vol. 18, p. 22108-22121
https://doi.org/10.1039/C6CP03988J
info:eu-repo/grantAgreement/EC/FP7/310191
dc.rights.none.fl_str_mv (c) Aleksandrov, Hristiyan A. et al., 2016
info:eu-repo/semantics/openAccess
rights_invalid_str_mv (c) Aleksandrov, Hristiyan A. et al., 2016
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv 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 Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869404269400031232
score 15.198674

Similares en LA Referencia