Unveiling the Impact of Fe Incorporation on Intrinsic Performance of Reconstructed Water Oxidation Electrocatalyst

Because of the salient impact on the performance of oxygen evolution reaction (OER), the surface dynamics of precatalysts accompanying the surface oxidation and dissolution of catalytic components demands immense research attention. Accordingly, the change in the structural integrity under high current density generally results in inconsistent OER performances. To address this challenge, here, we present the intricate design of precatalysts, strategically followed by reconstruction treatment in the presence of Fe under water oxidation condition, which significantly enhances the OER activity and long-term stability. Notably, the surface tailored heterointerface structures (Fe-doped NiOOH/CoOOH) obtained through the reconstruction of a precatalyst (Ni­(OH)2/Co9S8) with the incorporation of Fe, are abundantly enriched with electrochemically accessible high valence active sites. This results in remarkable OER activity (400 mA cm–2 at 345 mV). Density functional theory (DFT) calculations indicate that Fe-incorporated electrocatalysts give optimal binding energies of OER intermediates and show substantially reduced overpotential compared to Fe-undoped electrocatalysts.