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dc.contributor.author
Lustemberg, Pablo German  
dc.contributor.author
Palomino, Robert M.  
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Gutiérrez, Ramón A.  
dc.contributor.author
Grinter, David C.  
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Vorokhta, Mykhailo  
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Liu, Zongyuan  
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Ramírez, Pedro J.  
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Matolín, Vladimír  
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Ganduglia Pirovano, Maria Veronica  
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Senanayake, Sanjaya D.  
dc.contributor.author
Rodriguez, José A.  
dc.date.available
2019-10-22T19:04:29Z  
dc.date.issued
2018-06  
dc.identifier.citation
Lustemberg, Pablo German; Palomino, Robert M.; Gutiérrez, Ramón A.; Grinter, David C.; Vorokhta, Mykhailo; et al.; Direct Conversion of Methane to Methanol on Ni-Ceria Surfaces: Metal-Support Interactions and Water-Enabled Catalytic Conversion by Site Blocking; American Chemical Society; Journal of the American Chemical Society; 140; 24; 6-2018; 7681-7687  
dc.identifier.issn
0002-7863  
dc.identifier.uri
http://hdl.handle.net/11336/86969  
dc.description.abstract
The transformation of methane into methanol or higher alcohols at moderate temperature and pressure conditions is of great environmental interest and remains a challenge despite many efforts. Extended surfaces of metallic nickel are inactive for a direct CH4 → CH3OH conversion. This experimental and computational study provides clear evidence that low Ni loadings on a CeO2(111) support can perform a direct catalytic cycle for the generation of methanol at low temperature using oxygen and water as reactants, with a higher selectivity than ever reported for ceria-based catalysts. On the basis of ambient pressure X-ray photoemission spectroscopy and density functional theory calculations, we demonstrate that water plays a crucial role in blocking catalyst sites where methyl species could fully decompose, an essential factor for diminishing the production of CO and CO2, and in generating sites on which methoxy species and ultimately methanol can form. In addition to water-site blocking, one needs the effects of metal-support interactions to bind and activate methane and water. These findings should be considered when designing metal/oxide catalysts for converting methane to value-added chemicals and fuels.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Chemical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Methane Conversion  
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Methanol  
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Water Block  
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DFT  
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Otras Ciencias Químicas  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
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Ingeniería Química  
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Ingeniería Química  
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INGENIERÍAS Y TECNOLOGÍAS  
dc.title
Direct Conversion of Methane to Methanol on Ni-Ceria Surfaces: Metal-Support Interactions and Water-Enabled Catalytic Conversion by Site Blocking  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2019-10-21T19:59:36Z  
dc.journal.volume
140  
dc.journal.number
24  
dc.journal.pagination
7681-7687  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Lustemberg, Pablo German. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Rosario. Instituto de Física de Rosario. Universidad Nacional de Rosario. Instituto de Física de Rosario; Argentina  
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Fil: Palomino, Robert M.. Brookhaven National Laboratory; Estados Unidos  
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Fil: Gutiérrez, Ramón A.. Universidad Central de Venezuela; Venezuela  
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Fil: Grinter, David C.. Harwell Science and Innovation Campus; Reino Unido  
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Fil: Vorokhta, Mykhailo. Charles University; República Checa  
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Fil: Liu, Zongyuan. Brookhaven National Laboratory; Estados Unidos  
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Fil: Ramírez, Pedro J.. Universidad Central de Venezuela; Venezuela  
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Fil: Matolín, Vladimír. Charles University; República Checa  
dc.description.fil
Fil: Ganduglia Pirovano, Maria Veronica. Consejo Superior de Investigaciones Científicas. Instituto de Catálisis y Petroleoquímica; España  
dc.description.fil
Fil: Senanayake, Sanjaya D.. Brookhaven National Laboratory; Estados Unidos  
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Fil: Rodriguez, José A.. Brookhaven National Laboratory; Estados Unidos  
dc.journal.title
Journal of the American Chemical Society  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/jacs.8b03809  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/jacs.8b03809