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Cleavage of the C-C bond in the ethanol oxidation reaction on platinum. Insight from experiments and calculations

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Cleavage of the C-C bond in the ethanol oxidation reaction on platinum. Insight from experiments and calculations

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dc.contributor.author Ferre Vilaplana, Adolfo es_ES
dc.contributor.author Buso-Rogero, Carlos es_ES
dc.contributor.author Feliu, Juan M. es_ES
dc.contributor.author Herrero, Enrique es_ES
dc.date.accessioned 2017-05-18T10:11:28Z
dc.date.issued 2016-06-02
dc.identifier.issn 1932-7447
dc.identifier.uri http://hdl.handle.net/10251/81371
dc.description "This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see http://pubs.acs.org/doi/abs/10.1021/acs.jpcc.6b03117, see http://pubs.acs.org/page/policy/articlesonrequest/index.html". es_ES
dc.description.abstract [EN] Using a combination of experimental and computational methods, mainly FTIR and DFT calculations, new insights are provided here in order to better understand the cleavage of the C–C bond taking place during the complete oxidation of ethanol on platinum stepped surfaces. First, new experimental results pointing out that platinum stepped surfaces having (111) terraces promote the C–C bond breaking are presented. Second, it is computationally shown that the special adsorption properties of the atoms in the step are able to promote the C–C scission, provided that no other adsorbed species are present on the step, which is in agreement with the experimental results. In comparison with the (111) terrace, the cleavage of the C–C bond on the step has a significantly lower activation energy, which would provide an explanation for the observed experimental results. Finally, reactivity differences under acidic and alkaline conditions are discussed using the new experimental and theoretical evidence. es_ES
dc.description.sponsorship This work has been financially supported by the MINECO (Spain) (project CTQ2013-44083-P) and Generalitat Valenciana (project PROMETEOII/2014/013). en_EN
dc.language Inglés es_ES
dc.publisher American Chemical Society es_ES
dc.relation MINECO (Spain)/CTQ2013-44083-P es_ES
dc.relation Generalitat Valenciana/PROMETEOII/2014/013 es_ES
dc.relation.ispartof Journal of Physical Chemistry C es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Single-crystal electrodes es_ES
dc.subject Electrochemical mass-spectrometry es_ES
dc.subject Surface-structure es_ES
dc.subject Stepped surfaces es_ES
dc.subject Adsorption es_ES
dc.subject Electrooxidation es_ES
dc.subject Ftir es_ES
dc.subject Polycrystalline es_ES
dc.subject Density es_ES
dc.subject Acid es_ES
dc.subject.classification LENGUAJES Y SISTEMAS INFORMATICOS es_ES
dc.title Cleavage of the C-C bond in the ethanol oxidation reaction on platinum. Insight from experiments and calculations es_ES
dc.type Artículo es_ES
dc.embargo.lift 10000-01-01
dc.embargo.terms forever es_ES
dc.identifier.doi 10.1021/acs.jpcc.6b03117
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Escuela Politécnica Superior de Alcoy - Escola Politècnica Superior d'Alcoi es_ES
dc.contributor.affiliation Universitat Politècnica de València. Instituto Universitario Mixto Tecnológico de Informática - Institut Universitari Mixt Tecnològic d'Informàtica es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Sistemas Informáticos y Computación - Departament de Sistemes Informàtics i Computació es_ES
dc.description.bibliographicCitation Ferre Vilaplana, A.; Buso-Rogero, C.; Feliu, JM.; Herrero, E. (2016). Cleavage of the C-C bond in the ethanol oxidation reaction on platinum. Insight from experiments and calculations. Journal of Physical Chemistry C. 120(21):11590-11597. doi:10.1021/acs.jpcc.6b03117 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion http://dx.doi.org/10.1021/acs.jpcc.6b03117 es_ES
dc.description.upvformatpinicio 11590 es_ES
dc.description.upvformatpfin 11597 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 120 es_ES
dc.description.issue 21 es_ES
dc.relation.senia 313181 es_ES
dc.identifier.eissn 1932-7455


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