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dc.contributor.author
Lustemberg, Pablo German  
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Pan, Y.  
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Shaw, B. J.  
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Grinter, D.  
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Pang, Chi  
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Thornton, G.  
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Pérez, Rubén  
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Ganduglia Pirovano, Maria Veronica  
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Nilius, N.  
dc.date.available
2018-07-19T18:28:07Z  
dc.date.issued
2016-06  
dc.identifier.citation
Lustemberg, Pablo German; Pan, Y.; Shaw, B. J.; Grinter, D.; Pang, Chi; et al.; Diffusion Barriers Block Defect Occupation on Reduced CeO2 (111); American Physical Society; Physical Review Letters; 116; 23; 6-2016  
dc.identifier.issn
0031-9007  
dc.identifier.uri
http://hdl.handle.net/11336/52675  
dc.description.abstract
Surface defects are believed to govern the adsorption behavior of reducible oxides. We challenge this perception on the basis of a combined scanning-tunneling-microscopy and density-functional-theory study, addressing the Au adsorption on reduced CeO2-x(111). Despite a clear thermodynamic preference for oxygen vacancies, individual Au atoms were found to bind mostly to regular surface sites. Even at an elevated temperature, aggregation at step edges and not decoration of defects turned out to be the main consequence of adatom diffusion. Our findings are explained with the polaronic nature of the Au-ceria system, which imprints a strong diabatic character onto the diffusive motion of adatoms. Diabatic barriers are generally higher than those in the adiabatic regime, especially if the hopping step couples to an electron transfer into the ad-gold. As the population of O vacancies always requires a charge exchange, defect decoration by Au atoms becomes kinetically hindered. Our study demonstrates that polaronic effects determine not only electron transport in reducible oxides but also the adsorption characteristics and therewith the surface chemistry.  
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application/pdf  
dc.language.iso
eng  
dc.publisher
American Physical Society  
dc.rights
info:eu-repo/semantics/openAccess  
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https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
Ceria  
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Surface Oxygen Defects  
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Au Adsorption  
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Dft  
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Stm  
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Otras Ciencias Químicas  
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Ciencias Químicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Diffusion Barriers Block Defect Occupation on Reduced CeO2 (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
2018-07-18T20:41:04Z  
dc.journal.volume
116  
dc.journal.number
23  
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Estados Unidos  
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Nueva York  
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: Pan, Y.. Chinese Academy of Sciences; República de China  
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Fil: Shaw, B. J.. University College London; Estados Unidos  
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Fil: Grinter, D.. University College London; Estados Unidos  
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Fil: Pang, Chi. University College London; Estados Unidos  
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Fil: Thornton, G.. University College London; Estados Unidos  
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Fil: Pérez, Rubén. Universidad Autónoma de Madrid; España  
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Fil: Ganduglia Pirovano, Maria Veronica. Consejo Superior de Investigaciones Científicas; España  
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Fil: Nilius, N.. Carl von Ossietzky University; Alemania  
dc.journal.title
Physical Review Letters  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/https://dx.doi.org/10.1103/PhysRevLett.116.236101  
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info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.116.236101