P-Tu-BRC-36 Insight into the Catalytic Behavior of TiO2-supported Sub-nanometer Pd7 Cluster: A Density Functional Study

Tuesday, June 4, 2013
Ballroom C (Galt House Hotel)
Wei An and Ping Liu, Brookhaven National Laboratory, USA.
We report a DFT study of coverage and shape effect on CO oxidation over Pd7/TiO2(110) model catalyst. TiO2(110) plays a key role in CO oxidation and the flexibility of small-sized Pd cluster supported on TiO2 is the intrinsic properties during the catalytic reaction, particularly under high CO/O2 ratio.

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