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THE PHOTOCATALYTIC REDUCTION OF CO2 WITH H2O
Abstract
The goals of the present work are: (1) A theoretical analysis of possible reaction pathways to the synthesis of methanol and methane from CO2 and H2O and the selection of the best path from the view point of energy. (2) Investigation of the kinetic of assumed reactions. For determination of mechanism, BOC-MP method is used. By using of this theory, it is possible to calculate the thermodynamic and kinetic parameters and therefore predict the intermediates and the mechanism of heterogeneous catalytic reaction. With attention to these results, in photocatalytic reduction of CO2, with decrease in the d-character of the supported metal on TiO2, production of methanol will increase. Upon the investigation of kinetics of the proposed mechanism, we deduced that when the Fermi level of the catalyst is raised, the rate of methanol formation will increase.
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