Objective Photocatalysis using zeolite is a relatively new process for the degradation of pollutants. Zeolites are crystalline structures with a network of interconnected tunnels and cages. The cavities in zeolites confine reactants to a particularly shaped space. Therefore, they act as a selective medium, directing the photochemical reactions to specific products. During photocatalysis zeolites serve either as inert supports for the photocatalitically active semiconductors or as porous adsorbents. In most cases the semiconductor is loaded in the zeolite and the resulting powder is illuminated to become an active catalyst. Photocatalysts adsorbed in zeolites have a higher efficiency than the photocatalyst on its own. This effect has been found for a variety of organic s such as benzene, azo dyes, propizamide, substituted toluenes, phenols, and pyridine that are photooxidised by TiO2. Despite the great interest and the applicability of this type of systems, little is known on the mechanism of catalysis. In this proposa l I put forward a research project aimed at reaching a sound grasp of the molecular aspects of photocatalysis in zeolites by means of a combination of computational methods.The final goal is to develop a molecular mechanism that can explain selective phot ocatalysis with zeolites as shape selective heterogeneous photocatalysts. Only a few of the more than 100 zeolites synthesized are currently used in photocatalysis. A deeper understanding of the underlying mechanisms can be used to evaluate the efficiency of many other zeolites and can lead to cheaper and more efficient photooxidation of pollutants. Fields of science natural scienceschemical sciencescatalysisphotocatalysisnatural scienceschemical sciencesinorganic chemistryinorganic compoundsnatural scienceschemical sciencesphysical chemistryphotochemistrynatural sciencescomputer and information sciencescomputational sciencenatural sciencesphysical scienceselectromagnetism and electronicssemiconductivity Programme(s) FP6-MOBILITY - Human resources and Mobility in the specific programme for research, technological development and demonstration "Structuring the European Research Area" under the Sixth Framework Programme 2002-2006 Topic(s) MOBILITY-4.1 - Marie Curie European Reintegration Grants (ERG) Call for proposal FP6-2002-MOBILITY-11 See other projects for this call Funding Scheme ERG - Marie Curie actions-European Re-integration Grants Coordinator UNIVERSIDAD PABLO DE OLAVIDE Address Carretera de utrera km 1 Seville Spain See on map EU contribution € 0,00
