Ligand-orchestrated transition metal aerogels: a tailored sulfur coordination strategy for superior oxygen evolution catalysis

, along with an enhanced electron transfer rate and exceptional stability exceeding 60 hours. Advanced characterization techniques, including X-ray photoelectron spectroscopy, X-ray absorption fine structure analysis, and density functional theory simulations, revealed that the ligand-orchestrated coordination environment around Ni plays a crucial role in modulating the electronic structure, thereby strengthening interactions with oxygen intermediates. The reaction followed the adsorbate evolution mechanism, demonstrating efficient catalysis with a reduced energy barrier for the rate-determining step. These findings underscore the importance of ligand-orchestrated coordination and structural engineering in developing high-performance OER catalysts.