Enhanced activity of Co-Mo-S catalysts towards hydrodesulfurization and hydrogen evolution reaction NaBH assisted formation.

Co-Mo-S based catalysts have promising applications in both the hydrogen evolution reaction (HER) and hydrodesulfurization (HDS). Herein, Co-Mo-S catalyst and Co-Mo-S catalyst with and without NaBH modification have been successfully synthesized by a simple hydrothermal synthesis method. Co-Mo-S catalysts with NaBH modification show better catalytic activity towards both HDS and the HER. The phase purity, morphology, crystal structures and electron valence distribution of the catalysts with and without NaBH modification were studied by experimental characterizations and theoretical calculations. The catalysts without NaBH modification are mostly 2H-MoS, while the catalysts without NaBH modification have 1T-MoS, and 1T-MoS is exposed to more active sites, which will be conducive to the results of HDS performance of the catalyst. DFT calculations investigated the required activation energies of 1T-MoS and 2H-MoS for HDS and HER, respectively. The activation energy required for both HDS and H generation of 1T-MoS is significantly lower than that for the 2H-MoS structure.