P-Tu-B-158 Multi-Adsorbate Cluster Expansion Model of Catalytic NO Oxidation on Pt (111)

Tuesday, June 16, 2015
Ballroom B (Lawrence Convention Center)
William F. Schneider, Anshumaan Bajpai and Kurt Frey, University of Notre Dame, USA.
NO oxidation is a coverage-sensitive reaction. In this work we perform parameterization of lattice models for mixed NO and O adsorption, analysis of the main contributions to adsorbate-adsorbate interactions, and compare results of lattice-based kinetic models with simpler mean-field models.

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