Ordered Mesoporous Metastable α‐MoC1−x with Enhanced Water Dissociation Capability for Boosting Alkaline Hydrogen Evolution Activity

Abstract The sluggish reaction kinetics of the alkaline hydrogen evolution reaction (HER) remains an important challenge for water–alkali electrolyzers, which originates predominantly from the additional water dissociation step required for the alkaline HER. In this work, it is demonstrated theoretically and experimentally that metastable, face‐centered‐cubic α‐MoC1−x phase shows superior water dissociation capability and alkaline HER activity than stable, hexagonal‐close‐packed Mo2C phase. Next, high surface area ordered mesoporous α‐MoC1−x (MMC) is designed via a nanocasting method. In MMC structure, the α‐MoC1−x phase facilitates the water dissociation reaction, while the mesoporous structure with high surface area enables a high dispersion of metal NPs and efficient mass transport. As a result, Pt nanoparticles (NPs) supported on MMC (Pt/MMC) show substantially enhanced alkaline HER …