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Propene epoxidation with O-2 or H-2-O-2 mixtures over silver catalysts: theoretical insights into the role of the particle size

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Propene epoxidation with O-2 or H-2-O-2 mixtures over silver catalysts: theoretical insights into the role of the particle size

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Boronat Zaragoza, M.; Pulido, Á.; Concepción Heydorn, P.; Corma Canós, A. (2014). Propene epoxidation with O-2 or H-2-O-2 mixtures over silver catalysts: theoretical insights into the role of the particle size. Physical Chemistry Chemical Physics. 16(48):26600-26612. doi:10.1039/c4cp02198c

Por favor, use este identificador para citar o enlazar este ítem: http://hdl.handle.net/10251/71392

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Title: Propene epoxidation with O-2 or H-2-O-2 mixtures over silver catalysts: theoretical insights into the role of the particle size
Author:
UPV Unit: Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Universitat Politècnica de València. Departamento de Química - Departament de Química
Issued date:
Abstract:
The adsorption and dissociation of molecular O-2 over silver extended surfaces, nanoparticles and clusters of different size, as well as the reaction between adsorbed O-2 and H-2 to form less nucleophilic hydroperoxide ...[+]
Subjects: FINDING SADDLE-POINTS , PROPYLENE EPOXIDATION , PHASE EPOXIDATION , HYDROGEN-PEROXIDE , CO OXIDATION , OXYGEN , SURFACES , CLUSTERS , ETHYLENE , ENERGY
Copyrigths: Cerrado
Source:
Physical Chemistry Chemical Physics. (issn: 1463-9076 ) (eissn: 1463-9084 )
DOI: 10.1039/c4cp02198c
Publisher:
Royal Society of Chemistry
Publisher version: http://dx.doi.org/10.1039/c4cp02198c
Thanks:
The authors thank the Spanish Science and Innovation Ministry (MAT2011-28009, Consolider Ingenio 2010-MULTICAT, CSD2009-00050 and Severo Ochoa) for financial support, and Red Espanola de Supercomputacion (RES) and Centre ...[+]
Type: Artículo

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