In situ investigation of methane dry reforming on metal/ceria(111) surfaces: metal-support interactions and C-H bond activation at low temperature

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dc.contributor.author Liu, Zongyuan
dc.contributor.author Lustemberg, Pablo
dc.contributor.author Gutiérrez, Ramón A.
dc.contributor.author Carey, John J.
dc.contributor.author Palomino, Robert M.
dc.contributor.author Vorokhta, Mykhailo
dc.contributor.author Grinter, David C.
dc.contributor.author Ramírez, Pedro J.
dc.contributor.author Matolín, Vladimír
dc.contributor.author Nolan, Michael
dc.contributor.author Ganduglia-Pirovano, M. Verónica
dc.contributor.author Senanayake, Sanjaya D.
dc.contributor.author Rodriguez, José A.
dc.date.accessioned 2017-09-08T12:15:45Z
dc.date.available 2017-09-08T12:15:45Z
dc.date.issued 2017-09-05
dc.identifier.citation Liu, Z., Lustemberg, P., Gutiérrez, R. A., Carey, J. J., Palomino, R. M., Vorokhta, M., Grinter, D. C., Ramírez, P. J., Matolín, V., Nolan, M., Ganduglia-Pirovano, M. V., Senanayake, S. D. and Rodriguez, J. A. (2017) ‘In situ investigation of methane dry reforming on metal/ceria(111) surfaces: metal-support interactions and C-H bond activation at low temperature’, Angewandte Chemie. doi:10.1002/ange.201707538 en
dc.identifier.issn 1521-3757
dc.identifier.uri http://hdl.handle.net/10468/4674
dc.identifier.doi 10.1002/ange.201707538
dc.description.abstract Studies with a series of metal/ceria(111) (metal=Co, Ni, Cu; ceria=CeO2) surfaces indicate that metal–oxide interactions can play a very important role for the activation of methane and its reforming with CO2 at relatively low temperatures (600–700 K). Among the systems examined, Co/CeO2(111) exhibits the best performance and Cu/CeO2(111) has negligible activity. Experiments using ambient pressure X-ray photoelectron spectroscopy indicate that methane dissociates on Co/CeO2(111) at temperatures as low as 300 K—generating CHx and COx species on the catalyst surface. The results of density functional calculations show a reduction in the methane activation barrier from 1.07 eV on Co(0001) to 0.87 eV on Co2+/CeO2(111), and to only 0.05 eV on Co0/CeO2−x(111). At 700 K, under methane dry reforming conditions, CO2 dissociates on the oxide surface and a catalytic cycle is established without coke deposition. A significant part of the CHx formed on the Co0/CeO2−x(111) catalyst recombines to yield ethane or ethylene. en
dc.description.sponsorship U.S. Department of Energy (DE-SC0012704); Ministerio de Economía y Competitividad (CTQ2015-78823-R); European Cooperation in Science and Technology (COST action CM1104); Ministerstvo Školství, Mládeže a Tělovýchovy (Project LH15277) en
dc.format.mimetype application/pdf en
dc.language.iso en en
dc.publisher John Wiley & Sons, Inc. en
dc.rights © 2017, John Wiley & Sons Ltd. This peer reviewed manuscript has been published in final form at http://dx.doi.org/10.1002/ange.201707538. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. en
dc.subject Cobalt en
dc.subject XPS en
dc.subject Density functional theory en
dc.subject Methane dissociation en
dc.subject Ceria en
dc.title In situ investigation of methane dry reforming on metal/ceria(111) surfaces: metal-support interactions and C-H bond activation at low temperature en
dc.type Article (peer-reviewed) en
dc.internal.authorcontactother Michael Nolan, Tyndall Theory Modelling & Design Centre, University College Cork, Cork, Ireland. +353-21-490-3000 Email: michael.nolan@tyndall.ie en
dc.internal.availability Full text available en
dc.check.info Access to this article is restricted until 12 months after publication by request of the publisher. en
dc.check.date 2018-09-05
dc.date.updated 2017-09-08T11:29:48Z
dc.description.version Accepted Version en
dc.internal.rssid 410265588
dc.contributor.funder U.S. Department of Energy en
dc.contributor.funder Ministerio de Economía y Competitividad en
dc.contributor.funder Seventh Framework Programme en
dc.contributor.funder European Cooperation in Science and Technology en
dc.contributor.funder Ministerstvo Školství, Mládeže a Tělovýchovy en
dc.description.status Peer reviewed en
dc.identifier.journaltitle Angewandte Chemie en
dc.internal.copyrightchecked Yes en
dc.internal.licenseacceptance Yes en
dc.internal.IRISemailaddress michael.nolan@tyndall.ie en
dc.internal.bibliocheck In Press. Add vol. / issue/ page range. Amend citation accordingly.
dc.relation.project info:eu-repo/grantAgreement/EC/FP7::SP1::NMP/604296/EU/Catalytic Partial Oxidation of Bio Gas and Reforming of Pyrolysis Oil (Bio Oil) for an Autothermal Synthesis Gas Production and Conversion into Fuels/BIOGO-FOR-PRODUCTION en


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