Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over Cu0.1Ce0.9O22y with Oxygen Supplied as the Gas and from the Catalyst’s Bulk
Author
dc.contributor.author
Cortés, Joaquín
Author
dc.contributor.author
Valencia Astorga, Eliana
es_CL
Author
dc.contributor.author
Araya Figueroa, Paulo
es_CL
Admission date
dc.date.accessioned
2014-01-30T15:24:33Z
Available date
dc.date.available
2014-01-30T15:24:33Z
Publication date
dc.date.issued
2013
Cita de ítem
dc.identifier.citation
Catal Lett (2013) 143:176–183
en_US
Identifier
dc.identifier.other
DOI 10.1007/s10562-012-0946-6
Identifier
dc.identifier.uri
https://repositorio.uchile.cl/handle/2250/126346
General note
dc.description
Artículo de publicación ISI
en_US
Abstract
dc.description.abstract
kinetic Monte Carlo simulation algorithm
and a theoretical mean field study of two sites is developed
to interpret a redox mechanism based on that proposed by
Sedmak et al. for the oxidation of CO over the nanostructured
catalyst Cu0.1Ce0.9O2-y. The simulations reproduce
adequately the published experimental results and the
theoretical study allows the observation of some microscopic
behaviour shown by this system.
Monte Carlo Simulations and Theoretical Mean Field Analysis of Two Sites in the Oxidation of CO Over Cu0.1Ce0.9O22y with Oxygen Supplied as the Gas and from the Catalyst’s Bulk