Catalysis and Nanoparticles

Small Molecules – Big Chemistry
As transition metals become increasingly valuable as catalysts, a fundamental understanding of their catalytic mechanisms becomes important. In particular, their role in the activation of chemical bonds in small molecules (such as alkanes or water) has received considerable attention. In close collaboration with Professor Caroline Jarrold’s group, we are investigating the reactions of unsaturated group 6B metal (Mo,W) oxides and sulfides with such small molecules. Using electronic structure methods, we are elucidating the mechanisms of these reactions, and determine how to exploit the chemistry of these catalysts. These reactions have many potential applications in current topics of active interest such as the energy and the environment.