Advances in Single-Atom-Polaron Catalysis

In single-atom catalysis, a metal adatom binds to a support material through chemical bonds, forming a well-defined coordination environment. Increasing the number of surface ligands enhances stability but reduces the availability of free ligands for reactant adsorption. This coordination environment dictates the electronic structure of the metal atom, influencing the strength of reactant binding. If we could independently adjust the electronic structure and coordination, we could optimize reactivity while maintaining the ligand-to-reactant ratio and adatom stability. To achieve this, we employ polarons - charge carriers confined within the support material, such as hematite. Polarons interact with metal adatoms, altering electronic structure without affecting adatom coordination. By merging single-atom catalysis with polaronic materials, we aim to advance catalyst design and deepen our understanding of both fields.