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Mechanism of selective alcohol oxidation to aldehydes on gold catalysts: influence of surface roughness on reactivity

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Mechanism of selective alcohol oxidation to aldehydes on gold catalysts: influence of surface roughness on reactivity

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Boronat Zaragoza, M.; Corma Canós, A.; Illas, F.; Radilla, J.; Ródenas, T.; Sabater Picot, MJ. (2011). Mechanism of selective alcohol oxidation to aldehydes on gold catalysts: influence of surface roughness on reactivity. Journal of Catalysis. 278(1):50-58. https://doi.org/10.1016/j.cat.2010.11.013

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Title: Mechanism of selective alcohol oxidation to aldehydes on gold catalysts: influence of surface roughness on reactivity
Author: Boronat Zaragoza, Mercedes Corma Canós, Avelino Illas, Francesc Radilla, Juan Ródenas, Tania Sabater Picot, Mª José
UPV Unit: Universitat Politècnica de València. Departamento de Química - Departament de Química
Universitat Politècnica de València. Instituto Universitario Mixto de Tecnología Química - Institut Universitari Mixt de Tecnologia Química
Issued date:
Abstract:
[EN] The complete reaction pathway for the selective alcohol oxidation to aldehyde has been obtained from periodic density functional theory (DFT) calculations on a series of catalyst models having Au atoms with different ...[+]
Subjects: Catalysis , Au , DFT , Alcohol oxidation , Selectivity
Copyrigths: Cerrado
Source:
Journal of Catalysis. (issn: 0021-9517 )
DOI: 10.1016/j.cat.2010.11.013
Publisher:
Elsevier
Publisher version: https://doi.org/10.1016/j.jcat.2010.11.013
Project ID:
info:eu-repo/grantAgreement/MEC//MAT2006-14274-C02-01/ES/DISEÑO MOLECULAR DE NANOMATERIALES ESTRUCTURADOS ORGANICOS-INORGANICOS PARA SU APLICACION EN CATALISIS, SEPARACION DE GASES Y BIOMEDICA./
...[+]
info:eu-repo/grantAgreement/MEC//MAT2006-14274-C02-01/ES/DISEÑO MOLECULAR DE NANOMATERIALES ESTRUCTURADOS ORGANICOS-INORGANICOS PARA SU APLICACION EN CATALISIS, SEPARACION DE GASES Y BIOMEDICA./
info:eu-repo/grantAgreement/COST//D41/EU/Inorganic oxides: surfaces and interfaces/
info:eu-repo/grantAgreement/Generalitat Valenciana//PROMETEO08%2F2008%2F130/ES/Química sostenible: Catalizadores moleculares y supramoleculares altamente selectivos, estables y energéticamente eficientes en reacciones químicas./
info:eu-repo/grantAgreement/MICINN//FIS2008-02238/ES/MODELIZACION AB INITIO DE MATERIALES DE IMPORTANCIA TECNOLOGICA BASADOS EN OXIDOS, METALES Y LAS COMBINACIONES DE AMBOS: DE LA ESCALA NANOMETRICA AL SISTEMA EXTENDIDO/
info:eu-repo/grantAgreement/Generalitat de Catalunya//2009 SGR 1041/
info:eu-repo/grantAgreement/CSIC//I3-P fellowships/
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Thanks:
We thank Consolider-Ingenio 2010 (project MULTICAT), Spanish MICINN (Projects FIS2008-02238 and MAT2006-14274- C02-01), Generalitat Valenciana (Project PROMETEO/2008/130), Generalitat de Catalunya (grants 2009SGR1041 and ...[+]
Type: Artículo

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