High-Performance MoP-Mo2C/C Heterogeneous Nanoparticle Catalysts for Alkaline Hydrogen Evolution and Oxidation Reactions

The slow kinetics of the alkaline hydrogen evolution reaction (HER) and oxidation reaction (HOR) must be upgraded to achieve a renewable hydrogen cycle. Transition metal phosphides and transition metal carbides exhibit excellent activity toward diverse catalytic reactions. The synthesis of MoP-Mo2C heterogeneous nanoparticles coated with a porous carbon network (MoP-Mo2C/C) via a one-step heat treatment was reported, which exhibited a low overpotential at 10 mA cm–2 (102.1 mV), low Tafel slope (53.1 mV dec–1), and excellent stability (96 h) for the HER. In addition, MoP-Mo2C/C exhibited excellent catalytic performance toward the HOR, with an exchange current density of 1.40 mA cm–2. Density functional theory simulations indicated that the electronic structure of MoP-Mo2C/C was optimized, and its Gibbs free energy was approximately zero, which is the origin of the fast reaction kinetics. This work provides a promising strategy for designing high-performance bifunctional electrocatalysts.