Morphological Engineering of Inorganic Semiconductor VIS-Light-Driven Nanocatalysts: Experimental and Theoretical Understandings

Photocatalytic performances of inorganic semiconductors are mainly restrained by two factors: their low solar light harvesting capabilities and fast recombination of the generated charge carriers. Concerning the first point, some visible (VIS) light-driven catalysts, such as WO3 and metal halide perovskites (MHPs), have emerged during the past years as promising alternatives to traditional TiO2 based materials. Hole/electron pairs recombination, on the other hand, can be somehow controlled and slowed via morphological engineering by rationally controlling the size and shape of the nanomaterial. In this work we discuss the recent breakthroughs achieved in the photocatalytic applications of WO3 and MHP nanostructures, highlighting the intertwined role played by facet engineering and quantum confinement effects. State-of-art theoretical methodologies and tools available to model these systems and their operating mechanisms are presented and their strengths and limitations discussed. With this information, we point to the main challenges that theory and experiments should jointly address to develop more efficient solar light driven catalyst technologies.

Automated summary

This study focuses on the factors limiting the photocatalytic performance of inorganic semiconductors and the development of visible light-driven catalysts. By controlling the size and shape of nanomaterials, the recombination rate of electron pairs can be slowed down, thereby improving photocatalytic efficiency.