Alexis T. Bell
Our group is interested in heterogeneous catalysis with an emphasis on establishing the relationships between catalyst composition/structure and catalyst performance at the molecular level. We have investigated the influence of metal oxide supports and promoters on the performance of supported metal catalysts used to synthesize fuels and chemicals from synthesis gas, the structure and performance of transition metal-exchanged zeolites for selective catalytic reduction of nitric oxide, and the behavior of dispersed metal oxides for the oxidative dehyrogenation of alkanes to alkenes and the selective oxidation of alkanes to oxygenated compounds. The group has also been engaged in molecular simulation of adsorption and diffusion in zeolites, and in quantum chemical investigations of the properties of cation in zeolites. The aim of this work is provide a theoretical basis for interpreting experimental observations and to establish tools for predicting the performance of catalysts based on knowledge of their composition and structure.