O-M-Seg-2 Analysis of the Effect of Adsorbate-Adsorbate Interactions for CO Methanation on Transition Metal Surfaces

Monday, June 3, 2013: 10:00 AM
Segell (Galt House Hotel)
Adam C. Lausche1,2, Andrew J. Medford1, Frank Abild-Pedersen2, Jens K. Nørskov1,2 and Felix Studt2, (1)Stanford University, USA, (2)SLAC National Accelerator Laboratory, USA.
Interactions between adsorbed reaction intermediates at high surface coverages may have significant effects on the reaction rates and selectivities predicted by microkinetic modeling for heterogeneous catalysts. This hypothesis is investigated using a simple model for adsorbate-adsorbate interactions to calculate the predicted shifts in the CO methanation rates of transition metals.

Extended Abstracts:

See more of: Advances in Computational Catalysis I
See more of: Computational Catalysis
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