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dc.contributor.author | Sastre Navarro, German Ignacio | es_ES |
dc.contributor.author | Forneli Rubio, Mª Amparo | es_ES |
dc.contributor.author | Almasan, Valer | es_ES |
dc.contributor.author | Parvulescu, Vasile I. | es_ES |
dc.contributor.author | García Gómez, Hermenegildo | es_ES |
dc.date.accessioned | 2018-04-27T04:12:57Z | |
dc.date.available | 2018-04-27T04:12:57Z | |
dc.date.issued | 2017 | es_ES |
dc.identifier.issn | 0926-860X | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/101068 | |
dc.description.abstract | [EN] Adsorption of H-2/D-2 on graphene (G), graphene oxide (GO), single walled carbon nanotube (SWCNT), N-doped graphene [(N)G], and a sample of active carbon (C) has led to the detection of HD, indicating dissociative chemisorption of hydrogen on the surface of the material. The amount of HD detected follows the order G > SWCNT > GO similar to (N)G similar to C, G giving about five-fold higher H-2/D-2 adsorption and HD exchange level than SWCNT and about ten-fold larger values than that of the other samples. Quantum-chemistry calculations modeling a carbon atom vacancy on a G cluster estimates an activation barrier for H-2 dissociation of ca. 84 kJ/mol for a mechanism involving under coordinated carbon atoms at the defect site. | es_ES |
dc.description.sponsorship | Financial support by the Spanish Ministry of Economy and Competitiveness (Severo Ochoa SEV-2016-0267 and CTQ2015-69153-C2-R1) and Generalitat Valenciana (Prometeo 2013/014) is gratefully acknowledged. G. S. thanks the Scientific Division of SGAI CSIC for computing facilities. | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation.ispartof | Applied Catalysis A General | es_ES |
dc.rights | Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) | es_ES |
dc.subject | Heterogeneous catalysis | es_ES |
dc.subject | Metal-free catalysis | |
dc.subject | Graphenes as catalysts | |
dc.subject | Graphene as hydrogenation catalyst | |
dc.subject | Hydrogen-deuterium isotopic exchange | |
dc.subject | Carbon vacancies as active sites | |
dc.subject.classification | QUIMICA ORGANICA | es_ES |
dc.title | Isotopic H/D exchange on graphenes. A combined experimental and theoretical study | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1016/j.apcata.2017.08.018 | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//SEV-2012-0267/ | es_ES |
dc.relation.projectID | info:eu-repo/grantAgreement/MINECO//CTQ2015-69153-C2-1-R/ES/EXPLOTANDO EL USO DEL GRAFENO EN CATALISIS. USO DEL GRAFENO COMO CARBOCATALIZADOR O COMO SOPORTE/ | es_ES |
dc.rights.accessRights | Abierto | es_ES |
dc.date.embargoEndDate | 2019-05-26 | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química | es_ES |
dc.contributor.affiliation | Universitat Politècnica de València. Departamento de Química - Departament de Química | es_ES |
dc.description.bibliographicCitation | Sastre Navarro, GI.; Forneli Rubio, MA.; Almasan, V.; Parvulescu, VI.; García Gómez, H. (2017). Isotopic H/D exchange on graphenes. A combined experimental and theoretical study. Applied Catalysis A General. 547:52-59. https://doi.org/10.1016/j.apcata.2017.08.018 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | http://doi.org/10.1016/j.apcata.2017.08.018 | es_ES |
dc.description.upvformatpinicio | 52 | es_ES |
dc.description.upvformatpfin | 59 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 547 | es_ES |
dc.relation.pasarela | S\351875 | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad | es_ES |
dc.contributor.funder | Ministerio de Economía, Industria y Competitividad | es_ES |