MoS2–Co3S4 hollow polyhedrons derived from ZIF-67 towards hydrogen evolution reaction and hydrodesulfurization

Co–Mo–S based catalysts have promising applications in both hydrogen evolution reaction (HER) and hydrodesulfurization (HDS). Herein, MoS 2 –Co 3 S 4 hollow polyhedrons have been successfully synthesized by the vulcanization of Mo doped ZIF-67. MoS 2 –Co 3 S 4 hollow polyhedrons show the superior HER and HDS catalytic activities to pure MoS 2 , Co 3 S 4 and MoS 2 –Co 3 S 4 nanoparticles prepared by the traditional coprecipitation methods, owing to the both morphology effect and synergistic effect between Co 3 S 4 and MoS 2 . DFT calculation studied the activation energies needed by MoS 2 and Co–Mo–S for HER and HDS, respectively. The required activation energies for C–S bond fracture and H 2 generation on Co–Mo–S structure are both obviously lower than that of MoS 2 structure. Our work reported a new method to synthesize Co–Mo–S catalysts with large surface area and numerous active sites, and further experimentally and theoretically proved Co–Mo–S structure had better catalytic activities for both HER and HDS.