Unveiling the Promotion of Sulfides Heterostructure on the Urea Oxidation Reaction: Role of Interface Engineering and Sulfate Adsorption

Abstract The pursuit of efficient and stable urea oxidation reaction (UOR) electrocatalysts is paramount for the sustainable utilization of renewable energy sources and the treatment of wastewater with urea content. This research introduces the successful fabrication of (Fe 0.5 Ni 0.5 ) 0.96 S/Co 9 S 8 /NF mesh heterojunction materials, which are replete with interfaces that facilitate enhanced catalytic activity. Benefiting from the electron transfer behavior from (Fe 0.5 Ni 0.5 ) 0.96 S to Co 9 S 8 , and the promotion of surface adsorption of SO 4 2− , the (Fe 0.5 Ni 0.5 ) 0.96 S/Co 9 S 8 /NF electrocatalyst has excellent UOR catalytic performance. The experimental characterization and theoretical simulation show that the d‐band center/thermodynamic barrier of (Fe 0.5 Ni 0.5 ) 0.96 S/Co 9 S 8 /NF is regulated by the redistribution of electrons at the heterojunction interface, and the adsorption of SO 4 2− on the surface. The reaction barrier of the adsorption strength/rate‐controlling step of urea and reaction intermediates is optimized, which promotes the catalytic kinetics and thermodynamics of UOR, offering a promising strategy for advancing energy and environmental technologies.