Gareth Parkinson

Abstract

Over the past decade, single-atom catalysis (SAC) has become a major focus in catalysis research. It is now well established that the catalytic activity of metal atoms is strongly influenced by their interaction with the support material. The role of the local coordination environment has drawn comparisons to metal–organic complexes, fueling excitement about the possibility of fine-tuning SAC by controlling adsorption geometry.Surface science techniques are particularly effective for studying this aspect of SAC, as they allow us to precisely determine metal atom geometries and correlate them with catalytic behavior. In this talk, I will present our recent work on Rh atoms supported on metal oxides, focusing on their interaction with CO, ethylene, and H₂—key reactants in the hydroformylation reaction (alkene + CO + H₂ → aldehyde). Several powder-based SAC systems have already demonstrated activity for this reaction, but the mechanism is not well understood. Here, I will show how the local environment of Rh atoms influences both the adsorption energy of reactants and their ability to adsorb simultaneously. These insights highlight the critical role of atomic-scale structure in optimizing single-atom catalysts.