Structure Sensitivity of Catalytic NO Oxidation: A First-Principles Study of Kinetic Properties at Two Pt Surfaces

We apply a first-principles-based, non-mean-field model that explicitly incorporates adsorbate-adsorbate interactions to predict and compare NO oxidation kinetics on different Pt surfaces.  We discuss structure sensitivity of this reaction and compare with traditional mean-field models in terms of capturing experimental trends and providing physical insight into the system.