Atomically Thin Bi2MoO6 Nanosheets for Efficient Visible-Light Photocatalytic Nitrogen Fixation via O-Vacancy Tailored Exposure of Mo Sites

Efficient charge transfer and exposure of reactive sites represent critical factors in the enhancement of photocatalytic nitrogen fixation. Herein, an atomic-thickness phosphate-doped Bi2MoO6 photocatalyst was fabricated successfully. The introduction of PO43- doping induced lattice distortions within the Mo-O octahedron, resulting in the generation of oxygen vacancies and exposure of Mo sites that served as active centers for nitrogen activation. Additionally, the incorporation of PO43- dopants led to a reduced surface work function of Bi2MoO6, thereby effectively facilitating carrier migration. Furthermore, there is a notable reduction in carrier transport distance from the bulk to its surface due to the atomic sheet structure. As a consequence, the PO43--doped Bi2MoO6 exhibited a significantly enhanced photocatalytic nitrogen fixation activity compared to the undoped sample. Moreover, PO43--doped Bi2MoO6 showed improved photocatalytic performance for the reduction of Cr(VI). This work offers valuable theoretical insights for the development of highly efficient photocatalysts.