Dual‐Site Substitution With Single Te Atoms in MoS ₂ Boosting Hydrogen Evolution

Abstract

ABSTRACT Heteroatom substitution is a promising strategy to enhance hydrogen evolution reaction (HER) activity of MoS 2 , yet synergistically activating both its basal plane and edge sites remains challenging. Herein, we report a dual‐site substitution of both Mo and S with tellurium in the MoS 2 lattice (Te‐MoS 2 ), which achieves a superior large‐current‐density HER performance in acidic electrolyte, surpassing all previously reported single‐element‐doped MoS 2 with nonmetal or non‐precious metal. The Te‐MoS 2 catalyst requires an overpotential of only 364 mV to achieve an industrial‐level current density of 1000 mA·cm −2 , significantly lower than 506 mV required by commercial 20 wt% Pt/C, and maintains this performance stably for 200 h without decay. Comprehensive analyses reveal that the simultaneous substitution of Mo and S with Te atoms activates neighboring S atoms and also promotes the formation of smaller, edge‐rich MoS 2 nanosheets, thereby generating abundant basal plane and edge S active sites with optimized hydrogen adsorption energy.