OC74 NO Reduction by H2 on Platinum Catalysts: Surface Coverage Effects in Heterogeneous Catalysis

Friday, June 10, 2011: 10:40 AM
Cartier Ballroom (Detroit Marriott Hotel at the Renaissance Center )
Carrie A. Farberow and Manos Mavrikakis, Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI
Using computational methods, we elucidate the role of hydrogen and key intermediates involved in low temperature NO reduction by H2 on Pt catalysts.  The drastic effect of surface coverage is illustrated, making a strong case for consideration of the relevant coverage when using theoretical tools to study heterogeneously catalyzed reactions.

Extended Abstracts: