Enhanced artificial nitrogen fixation efficiency induced by construction of ternary TiO2/MIL-88A(Fe)/g-C3N4 Z-scheme heterojunction

Herein, a ternary TiO2/MIL-88A(Fe)/g-C3N4 heterojunction is successfully constructed through a facile hydrothermal strategy for enhancing solar energy harvesting and efficiency of catalytic nitrogen reduction induced by enlarged light absorption range, increasing interfacial charge transfer ability and desirable stability. Under the simulated sunlight irradiation, the N-2 fixation experiment shows that the yield of NH3 reaches 1084.31 mu mol/ (g center dot h) over the TiO2/MIL-88A(Fe)/g-C3N4 photocatalyst, and the yield is significantly enhanced, which is 33.68 and 13.94 times that is higher than the pure TiO2 and g-C3N4, respectively. In a mean time, the excellent performance of the photocatalytic N2 fixation over the ternary TiO2/MIL-88A(Fe)/g-C3N4 is verified based on density function theory calculation and the decisive step over the composite is investigated by calculating Gibbs free energies of nitrogen reduction paths. The performance enhancement mechanism of TiO2/MIL-88A(Fe)/g-C3N4 is speculated, which indicates that the scheme band alignment, resulting in the improvement of separation and transfer efficiency of photoinduced charge