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dc.contributor.author
Werner, Kristin
dc.contributor.author
Weng, Xuefei
dc.contributor.author
Calaza, Florencia Carolina
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dc.contributor.author
Sterrer, Martin
dc.contributor.author
Kropp, Thomas
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Paier, Joachim
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Sauer, Joachim
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Wilde, Markus
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Fukutani, Katsuyuki
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Shaikhutdinov, Shamil
dc.contributor.author
Freund, Hans-Joachim
dc.date.available
2018-01-16T17:56:37Z
dc.date.issued
2017-11
dc.identifier.citation
Wilde, Markus; Shaikhutdinov, Shamil; Sauer, Joachim; Werner, Kristin; Sterrer, Martin; Weng, Xuefei; et al.; Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H 2 Interaction with CeO 2 (111); American Chemical Society; Journal of the American Chemical Society; 139; 48; 11-2017; 17608-17616
dc.identifier.issn
0002-7863
dc.identifier.uri
http://hdl.handle.net/11336/33436
dc.description.abstract
Ceria (CeO2) has recently been found to be a promising catalyst in the selective hydrogenation of alkynes to alkenes. This reaction occurs primarily on highly dispersed metal catalysts, but rarely on oxide surfaces. The origin of the outstanding activity and selectivity observed on CeO2 remains unclear. In this work, we show that one key aspect of the hydrogenation reaction—the interaction of hydrogen with the oxide—depends strongly on the presence of O vacancies within CeO2. Through infrared reflection absorption spectroscopy on well-ordered CeO2(111) thin films and density functional theory (DFT) calculations, we show that the preferred heterolytic dissociation of molecular hydrogen on CeO2(111) requires H2 pressures in the mbar regime. Hydrogen depth profiling with nuclear reaction analysis indicates that H species stay on the surface of stoichiometric CeO2(111) films, whereas H incorporates as a volatile species into the volume of partially reduced CeO2–x(111) thin films (x ∼ 1.8–1.9). Complementary DFT calculations demonstrate that oxygen vacancies facilitate H incorporation below the surface and that they are the key to the stabilization of hydridic H species in the volume of reduced ceria.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
American Chemical Society
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dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Ceria
dc.subject
Hydrogenation
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Hydride
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Heterolytic
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Otras Ciencias Químicas
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dc.subject.classification
Ciencias Químicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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Astronomía
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Ciencias Físicas
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dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
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dc.title
Toward an Understanding of Selective Alkyne Hydrogenation on Ceria: On the Impact of O Vacancies on H 2 Interaction with CeO 2 (111)
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2018-01-12T19:44:35Z
dc.journal.volume
139
dc.journal.number
48
dc.journal.pagination
17608-17616
dc.journal.pais
Estados Unidos
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dc.journal.ciudad
Washington
dc.description.fil
Fil: Werner, Kristin. Dept Of Chemical Physics, Fritz-haber-institut Der Mpg;
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Fil: Weng, Xuefei. Dept Of Chemical Physics, Fritz-haber-institut Der Mpg;
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Fil: Calaza, Florencia Carolina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Santa Fe. Instituto de Desarrollo Tecnológico para la Industria Química. Universidad Nacional del Litoral. Instituto de Desarrollo Tecnológico para la Industria Química; Argentina
dc.description.fil
Fil: Sterrer, Martin. Institute Of Physics, University Of Graz;
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Fil: Kropp, Thomas. Institut Fur Chemie, Humboldt-universitat;
dc.description.fil
Fil: Paier, Joachim. Universitat Zu Berlin / Institut Fur Chemie, Humboldt-u;
dc.description.fil
Fil: Sauer, Joachim. Universitat Zu Berlin / Institut Fur Chemie, Humboldt-u;
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Fil: Wilde, Markus. Institute Of Industrial Science-the University Of Tokyo;
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Fil: Fukutani, Katsuyuki. Institute Of Industrial Science-the University Of Tokyo;
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Fil: Shaikhutdinov, Shamil. Dept Of Chemical Physics, Fritz-haber-institut Der Mpg;
dc.description.fil
Fil: Freund, Hans-Joachim. Dept Of Chemical Physics, Fritz-haber-institut Der Mpg;
dc.journal.title
Journal of the American Chemical Society
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dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/10.1021/jacs.7b10021
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jacs.7b10021
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