(NiZnMg)MoN with Optimized d-Band Center Enables Industrial-Level Hydrogen Production

• • (NiZnMg)MoN achieves an overpotential of 138 mV at 300 mA cm−2, outperforming commercial Pt/C (which typically requires >200 mV at the same current density), directly enabling industrial-scale alkaline water electrolysis with reduced energy consumption. • • The electronegativity difference between Zn (1.65) and Mg (1.31) versus Ni (1.91) induces local electronic interactions that shift the d-band center of Ni sites, optimizing ΔG H* to near-thermoneutral values, as confirmed by DFT calculations. • • The catalyst maintains stable operation for over 100 hours at 300 mA cm−2 in 1 M KOH, with a degradation rate of <5% (based on chronopotentiometry data), addressing the durability bottleneck of transition metal nitride catalysts. • • The synthesis employs a scalable solvothermal and nitridation route using earth-abundant metals (Ni, Zn, Mg, Mo), with a projected cost of <$10 per gram, offering a 10-fold cost reduction compared to Pt/C catalysts (≈$100 per gram).