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Title of Journal: Top Catal

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Abbravation: Topics in Catalysis

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Springer US

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DOI

10.1007/bf03289357

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1572-9028

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Gold Nanoparticles on Yttrium Modified Titania Su

Authors: José J Plata Antonio M Márquez Javier Fdez Sanz Rafael Sánchez Avellaneda Francisca RomeroSarria María Isabel Domínguez Miguel Angel Centeno José Antonio Odriozola
Publish Date: 2011/01/22
Volume: 54, Issue: 1-4, Pages: 219-228
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Abstract

A series of titanium oxide catalysts modified with yttrium has been prepared by sol–gel method and their structural properties have been studied The incorporation of yttrium in the titania lattice favors the formation of oxygen vacancies while at low Y loadings the anatase structure is preserved The catalytic activity of these solids for CO oxidation is found to be significantly dependent on their physical properties In particular the amount of dopant controls the number of surface oxygen vacancies created as well as the gold particle size which directly affects the catalytic activity Also a linear relationship between the catalytic activity and the band gap values which depend on the Y loading is observed Density functional theory based calculations show that Y atoms are incorporated at the TiO2 surface at substitutional positions only while the preferred oxygen vacancies arise by removing the bridge surface oxygen atoms These Ovacancies are the preferential adsorption sites for Au atoms and nanoparticles acting as nucleation centers that favor the dispersion of the catalyst active phase over the support surface In agreement with experiment Y doping is found to decrease the band gap of the support due to a destabilization of the valence band of the oxideThis work was funded by the Ministerio de Ciencia e Innovación Spain grants ENE200914522C0501 MAT200804918 and CSD00023 cofinanced by FEDER from European Union and the Junta de Andalucía project P08FQM03661 RomeroSarria thanks the Spanish MEC for her contract Ramón y Cajal Programme The Red Española de Supercomputación RESBSC provided part of the computer time


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