DFT-Based Kinetic Models of Pressure-Dependent Carbonate Poisoning during CO Oxidation over RuO2(110)

Introduction Catalytic oxidations with O2 are one of the most important and widely studied reaction classes in heterogeneous catalysis. Metal oxides are of particular interest as catalysts because of the potential to replace expensive precious metals such as Pt and Pd. Despite the promising catalytic oxidation activities metal oxides have shown, practical applications are limited by surface poisoning such as sulfur or carbonate poisoning, which has been a major concern for metal oxide catalysts for decades [1]. With growing interest in the role of metal oxide films in the oxidation activity of even the more noble metals, it is important to understand and ultimately to learn to bypass surface poisoning.