A Zn-modulated NiFeCoCuZn high-entropy alloy for efficient electrocatalytic nitrate reduction to ammonia

H NMR cross-validation further verify its nitrate-to-ammonia conversion capability. Auxiliary free-energy calculations suggest that Zn incorporation optimizes nitrate-intermediate adsorption, lowers the initial nitrate-activation energy barrier, and maintains manageable competition from the hydrogen-evolution pathway, thereby promoting selective ammonia production.