Nitrogen-Vacancy Engineered NiMo on Boron Nitride for Energy-Efficient Hydrogen Production Coupled With Ethylene Glycol Oxidation.

Electrocatalytic hydrogen evolution coupled with ethylene glycol oxidation (EGOR) offers a promising approach for sustainable hydrogen production. However, conventional systems suffer from high energy demands and limited stability under industrial current densities. In this study, a nitrogen vacancy-engineered Ni/Mo dual metal atom catalyst (NiMo-BN-Pe) is developed. This design achieves exceptional alkaline Hydrogen Evolution Reaction activity with an ultralow overpotential of 37.1 mV at 10 mA cm⁻² and maintains high stability, outperforming many previously reported materials. Moreover, coupling HER with the ethylene glycol oxidation reaction (EGOR) enables the concurrent production of high-value chemicals. Density functional theory (DFT) calculations reveal the role of nitrogen vacancies as catalytic hotspots in stabilizing critical reaction intermediates through proton-coupled electron transfer. This work provides a versatile platform for coupling HER with anodic biomass oxidation reactions.