O-W-BRA-14 First Principles Based Microkinetic Model of the Water-gas Shift Reaction at the Three-Phase Boundary of Pt/TiO2 Catalysts

Wednesday, June 5, 2013: 4:00 PM
Ballroom A (Galt House Hotel)
Salai Cheettu Ammal and Andreas Heyden, University of South Carolina, USA.
We investigated the origin of the unique activity of small Pt clusters supported on TiO2 (110) for the low temperature WGS reaction.  A microkinetic model based on parameters obtained from first principles (without any fitting parameters) accurately predicts experimentally observed activation barriers, reaction orders, and rate determining steps.

Extended Abstracts: