In this work, we synthesized MoS₂ catalyst via one-step hydrothermal method, and systematically investigated the catalytic effect of MoS₂ on the hydrogen storage properties of MgH₂. The MgH₂-5MoS₂ composite milled for 5 h starts to release hydrogen at 259 °C. Furthermore, it can desorb 4.0 wt.% hydrogen within 20 min at 280 °C, and absorb 4.5 wt.% hydrogen within 5 min at 200 °C. Mo and MoS₂ coexisted in the ball milled sample, whereas only Mo was kept in the sample after dehydrogenation and rehydrogenation, which greatly weakens the Mg-H bonds and facilitates the dissociation of MgH₂ on the surface of Mo (110). The comparative study show that the formed MgS has no catalytic effect for MgH₂. We believed that the evolution and the catalytic mechanism of MoS₂ will provide the theoretical guidance for the application of metal sulfide in hydrogen storage materials.

本工作采用一步水热法合成了MoS _{2催化剂，并系统研究了MoS 2对MgH 2}储氢性能的催化作用。研磨5小时的MgH ₂ -5MoS ₂复合材料在259℃开始释放氢气。此外，它可以在280℃下20分钟内解吸4.0wt.%的氢气，并在200℃下5分钟内吸收4.5wt.%的氢气。球磨样品中Mo和MoS _{2共存，而脱氢和再氢化后样品中仅保留Mo，这大大削弱了Mg-H键，有利于MgH 2解离}Mo(110)表面。_{对比研究表明，生成的MgS对MgH 2}没有催化作用。_{我们相信MoS 2}的演化及其催化机理将为金属硫化物在储氢材料中的应用提供理论指导。