Electrocatalysis

Our group is well-versed in the dual theoretical and experimental approach necessary in the field of electrocatalysis. Our work focuses on understanding how selectively tuning the properties of metal surfaces can improve their catalytic activity. After identifying key design parameters, we can develop structure-property relationships that predict the activity of novel catalytic materials.

Using models to identify optimal catalytic sites

We have investigated the oxygen reduction reaction (ORR) which occurs at the cathode of hydrogen fuel cells. The ORR is the primary source of efficiency losses in low-temperature hydrogen fuel cells. To achieve adequate performance, high loadings of expensive platinum catalysts are required which coincide with high costs for hydrogen fuel cells. Our goal is to design cheaper, more active electrocatalysts for ORR. Using the binding energy of surface hydroxyl (OH) groups as a chemical descriptor for surface reactivity, we have developed a model that allows us to accurately predict adsorption energy on multimetallic surfaces. The precision of the model was assessed using density functional theory calculations. With this model, we have identified a number of alloy nanostructures that are predicted to have higher ORR activity compared to Pt standards. The predictions from this model will guide future experiments. Current members working in this area include Sean Dix and Jacques Esterhuizen.