Elucidating the cooperative role of Fe sites in NiFe-based dual-atom catalysts in oxygen evolution reaction by operando X-ray absorption spe

We aim to elucidate the formation of catalytically active sites in atomically dispersed NiFe-based dual-atom catalysts using operando X-ray absorption spectroscopy (XAS). In this project, we have developed a novel coordination-tailored synthesis route to prepare two distinct heteronuclear Ni/Fe dual-atom catalysts featuring nitrogen and oxygen coordination. The observed differences in catalytic behavior highlight the critical role of coordination environments, which we aim to unravel through XAS.
Additionally, we propose to investigate the Ni/Fe environments as a function of the Ni/Fe composition ratio, in conjunction with recently obtained operando synchrotron Mössbauer spectra. Notably, operando studies are expected to reveal the cooperative role of Fe sites and their dynamic behavior. The data collected in this experiment will also aid in interpreting our Mössbauer spectra, providing further evidence of Fe’s cooperative role in the reaction process.