Probing intermediate configurations of oxygen evolution catalysis across the light spectrum

The oxygen evolution reaction is crucial to sustainable electro- andphoto-electrochemical approaches to chemical energy production (forexample, H2). Although mechanistic descriptions of the oxygen evolutionreaction have been proposed, the frontier challenge is to extract themolecular details of its elementary steps. Here we discuss how advancesin spectroscopy and theory are allowing for configurations of reactionintermediates to be elucidated, distinguishing between experimentalapproaches (static and dynamic) across a range of surface oxygen bindingenergies on catalysts (from ruthenium to titanium oxides). We outlinehow interpreting X-ray and optical spectra relies on established andnewly implemented computational techniques. A key emphasis is ondetecting adsorbed oxygen intermediates at the oxide/water interfaceby their chemical composition, electronic and vibrational levels and ion–electron kinetic pathways. Integrating the computational advances withthe experimental spectra along these lines could ultimately resolve theelementary steps, elucidating how each intermediate leads to anotherduring oxygen evolution reaction.