▎ 摘　　要

As an important energy storage and transportation carrier, hydrogen has the advantages of high combustion heat, non-toxic, and pollution-free energy conversion process. Bimetallic sulfide composites are one of the emerging catalysts for hydrogen evolution reactions (HER) during water splitting. Herein, a hydrothermal method has been employed for the in-situ synthesis of NiS2 nanoparticles/MoS2 nanosheets (NiS2/MoS2) hierarchical sphere anchored on reduced graphene oxide (RGO) for enhanced electrocatalytic HER activity. The NiS2/MoS2/RGO composite displays improved HER activity compared to MoS2/RGO and NiS2/RGO. The optimized NiS2/MoS2/RGO-9 requires only an overpotential of 136 mV at a current density of 10 mA cm-2, a small Tafel slope of 53.4 mV dec-1, and good stability in acid solution. The synergetic effect between NiS2 nanoparticles and MoS2 nanosheets is responsible for enhanced HER performance. Moreover, RGO provides the substrate for NiS2/MoS2 species and maintains the overall conductivity of NiS2/MoS2/RGO composites. Finally, density functional theory (DFT) calculations justify and approve the efficient HER activity of NiS2/MoS2/RGO in terms of lower Gibbs free energy (0.07 eV) and lower work function (3.98 eV) that subsequently enhance the dissociation of H2O.(c) 2022 Elsevier Inc. All rights reserved.