Magnetic Properties and Electrocatalytic Oxygen Evolution Performance of a Medium-Entropy Metal Nitride

The advancement of highly efficient and durable electrocatalysts for the oxygen evolution reaction (OER) is essential for advancing sustainable hydrogen energy technologies. In this study, we synthesized a novel medium-entropy metal nitride (MEMN), FeCoNiZnN, with an antiperovskite structure through a solid-phase reaction method. FeCoNiZnN displays ferromagnetism above 350 K and demonstrates exceptional OER performance with a specific activity 141 times greater than that of Co3ZnN, with an overpotential of only 301 mV at 10 mA cm–2, comparable to that of commercial RuO2 catalysts, and exhibits superior durability. Density functional theory (DFT) calculations reveal that the enhanced catalytic performance is due to optimized electronic properties and improved d-band centers, which enhance the adsorption of oxygen intermediates and reduce the free energy barriers at the rate-determining step. This study highlights the potential of MEMNs in developing advanced magnetic materials and novel electrocatalysts.