A functional hydrogenase mimic that catalyzes robust H₂ evolution spontaneously in aqueous environment

Although great progress has been made in improving hydrogen production, highly efficient catalysts, which are able to produce hydrogen in a fast and steady way at ambient temperature and pressure, are still in large demand. Here, we report a [NiCo]-based hydrogenase mimic, NiCo₂O₄ nanozyme, that can catalyze robust hydrogen evolution spontaneously in water without external energy input at room temperature. This hydrogenase nanozyme facilitates water splitting reaction by forming a three-center Ni–OH–Co bond analogous to the [NiFe]-hydrogenase reaction by using aluminum as electron donor, and realizes hydrogen evolution with a high production rate of 915 L·h⁻¹ per gram of nanozymes, which is hundreds of times higher than most of the natural hydrogenase or hydrogenase mimics. Furthermore, the NiCo₂O₄ nanozyme can robustly disrupt the adhesive oxidized layer of aluminum and enable the full consumption of electrons from aluminum. In contrast to the often-expensive synthetic catalysts that rely on rare elements and consume high energy, we envision that this NiCo₂O₄ nanozyme can potentially provide an upgrade for current hydrogen evolution, accelerate the development of scale-up hydrogen production, and generate a clean energy future.