Microenvironment engineering of MoS2 via Ni, Re dual-doping for boosting alkaline hydrogen evolution activity

초록

Herein, we present an effective approach to optimize the electrocatalytic activity of MoS2 by incorporating Ni and Re atoms (Ni,Re-MoS2) to modulate its catalytic microenvironment. The optimized Ni,Re-MoS2 catalyst exhibits improved hydrogen evolution activity of 69 mV at 10 mA cm−2 in alkaline electrolyte. Moreover, the catalyst demonstrates superior cycling durability, maintaining consistent performance over 100 h of continuous operation. The significantly improved electrocatalytic performance is due to the synergistic effects of Ni and Re dopants, which collectively optimize the electronic structure and enhance charge transfer rate. Density functional theory calculations confirm that the incorporation of Ni and Re into MoS2 framework optimally tunes the hydrogen adsorption free energy, thereby accelerating the catalytic kinetics. This report offers a viable route for designing high-performance MoS2-based catalysts via rational dual-atom doping.

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