CO oxidation over Au/TiO2 catalyst: Pretreatment effects, catalyst deactivation, and carbonates production

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Calculations of CO Oxidation over a Au/TiO2 Catalyst: A Study of Active Sites, Catalyst Deactivation, and Moisture Effects

The reaction mechanism of CO oxidation on Au/TiO2 catalysts remains elusive. Here, we employ density functional theory calculations to gain an understanding of several important aspects of the system, including CO adsorption, the active oxygen species, catalyst deactivation, and the promoting effect of moisture on catalytic activity. Distinct from previous theoretical studies, which tend to add...

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ژورنال

عنوان ژورنال: Journal of Catalysis

سال: 2013

ISSN: 0021-9517

DOI: 10.1016/j.jcat.2013.06.021