2D Bi₂MoO₆/Zn₃V₂O₈ heterojunction photocatalyst for efficient photocatalytic reduction of CO₂ to CO and CH₄

Two-dimensional (2D) "face-to-face" heterojunctions promote interfacial charge transfer and separation in composite photocatalysts. Here, we report an efficient 2D/2D step-scheme (S-scheme) photocatalyst composed of Bi₂MoO₆/Zn₃V₂O₈ (BMO/ZVO), which has been designed and prepared via the self-assembly of BMO and ZVO nanoflakes. The heterojunction with an optimized composition of 30% BMO/ZVO showed extended light absorption capacity and enhanced separation efficiency of photogenerated carriers. Density functional theory (DFT) calculation on work function and charge density revealed the presence of a built-in electric field at the interface region, which should facilitate the separation of photogenerated electron-hole pairs. This work showed that it is essential to select two photocatalysts with interlaced band arrangement and to fine-tune the heterojunction interface for the preparation of S-scheme heterojunctions to achieve high photocatalytic efficiency.