Unveiling the synergistic mechanism of the NiSe2/CoSeO3 heterointerface in enhancing the oxygen evolution reaction kinetics

Abstract

Transition metal selenides, due to their excellent conductivity and low cost, have become promising catalysts alternative materials. However, monocomponent catalysts still face challenges such as the scarcity of active sites and high adsorption energy barriers. In this study, NiSe₂/CoSeO₃ composite catalysts were synthesized through a one-step hydrothermal method. The electrocatalytic activity of the nickel foam, NF–NiSe₂, and NF–NiSe₂/CoSeO₃ catalysts in the oxygen evolution reaction (OER) was systematically compared. A series of electrochemical tests demonstrated the superior performance of the NF–NiSe₂/CoSeO₃ catalyst at various current densities. Notably, at higher current densities, the catalyst exhibited a lower overpotential and a higher electrocatalytic efficiency. The density functional theory (DFT) analysis revealed that the NiSe₂/CoSeO₃ composite effectively optimized the electronic conductivity, surface active site distribution, and charge transfer rate, thereby enhancing the electrocatalytic performance. The study further revealed that the synergistic effect of the NiSe₂/CoSeO₃ composite catalyst significantly boosted the OER efficiency, providing an important theoretical basis for the future optimization of electrocatalysts and showing broad application potential.