Synergetic utilization of 3D materials merits and unidirectional electrons transfer of Schottky junction for optimizing optical absorption and charge kinetics

Despite plenty of works involve in Schottky junction to optimizing charge kinetics have been researched, some issues still bother us. For example, why photo-excited electrons transfer from semiconductor to metal in Schottky junction, and can we realize the formation of Schottky junction is the nature property of materials and unrelated to light, etc. To analyze the mechanism of Schottky junction, a novel 3D weed g-C3N4/flowerlike NiS composite (TCN/NiS) was designed. The existence of Schottky junction was proved by DFT calculations. The high charge separation efficiency in TCN/NiS was reflected in the photo-electrochemical characterization, and was also verified by the photocatalytic degradation of a representative organophosphorus pesticides chlorpyrifos with a high degradation efficiency of 86 %. Especially, about how and why the energy band of TCN bending, and why photo-excited electrons transfer from TCN to NiS were explained elaborated. The deep understanding of Schottky junction helps to construct high efficiency photocatalysts.

Automated summary

Despite substantial research on optimizing charge kinetics in Schottky junctions, there are still unresolved issues, such as the transfer of photo-excited electrons from semiconductor to metal. The study designed a TCN/NiS composite material to analyze the mechanism of Schottky junction, demonstrating high charge separation efficiency and achieving a high degradation efficiency in photocatalytic degradation experiments of chlorpyrifos. Elaborate explanations were provided for the bending of TCN energy band and the transfer of photo-excited electrons from TCN to NiS.