MoS2 catalysts with adjustable size and layer structure derived from polyoxometalates-ionic liquids complexes for hydrogen production and hydrogenation

In the period of energy conversion, the effective utilization of fossil fuels and the development of new energy sources are becoming extremely imperative. MoS2 have excellent catalytic activity for fuel hydrogenation and hydrogen production. However, the synthesis of highly dispersed MoS2 that can expose more active sites has been challenging. Herein, (DODA)6Mo7O24 with organic–inorganic core–shell structure was prepared by POMs-ILs (polyoxometalates-ionic liquids) self-assembly. MoS2 with adjustable size and layer structure derived from (DODA)6Mo7O24 by controllable confined-sulfidation effect for hydrogenation and hydrogen evolution reaction (HER). Among them, MoS2 (T280S1:4t30) has the lowest overpotential, and only 200 mV is needed to reach the current density of 10 mA·cm−2. At the same time, it has the optimal hydrogenation performance with the highest selectivity for octahydroanthracene and perhydroanthracene, along with a hydrogenation percentage of 48.04 % in the process of anthracene hydrogenation. Density functional theory demonstrated that the monolayer MoS2 was more favorable for water molecule dissociation and hydrogen molecule activation, which proves that the MoS2 has excellent catalytic activity for HER and hydrogenation simultaneously. This work is instructive for the synthesis of MoS2 and its application in HER and hydrogenation.