Synergistic Effects in 2D/2D Cu ₂ MoS ₄ /ZnIn ₂ S ₄ Heterojunction Photocatalysts: Mechanistic Insights into Enhanced Hydrogen Production

With the continuous development of society, the energy issue has emerged as a critical problem that requires resolution. This study describes the <i>in situ</i> loading of ZIS nanosheets onto the surface of a two-dimensional CMS square platform using solvothermal and low-temperature oil bath methods to create a 2D/2D CMS/ZIS composite photocatalyst for hydrogen production via photocatalysis. Without any noble metal co-catalyst, the hydrogen production attained by CMS/ZIS-10 under visible light is around 2642 μmol g^-1 h^-1, which is about double that of ZIS. The research results show that the construction of the heterojunction increases the material's light absorption spectrum, improves the self-assembly agglomeration of ZIS, exposes more active sites, and effectively augments the efficacy of separation and migration of photogenerated electrons, hence improving the efficiency of the photocatalytic process. The density functional theory (DFT) calculation verifies that the charge transfer pathway of the synthesized composite material corresponds to the F-type heterojunction charge transfer pathway. When an internal electric field is present, the photogenerated electrons of ZIS transfer to the CMS conduction band and maintain strong redox ability, thereby improving the photocatalytic performance.