Charge carrier dynamics in semiconductor–cocatalyst interfaces: influence on photocatalytic activities

Abstract

Electron transfer dynamics at semiconductor–cocatalyst interfaces are critical for efficient solar fuel generation, including water splitting, pollutant degradation, CO₂ reduction, and N₂ fixation. These interfaces facilitate charge separation, suppress recombination, and enable photoexcited charge carriers to transfer to active sites for photocatalytic reactions. The formation of Schottky or ohmic junctions, energy band alignment, and surface properties significantly influence charge transfer efficiency. Advances in theoretical modeling, such as density functional theory (DFT) and several experimental techniques like ultrafast spectroscopy and in situ X-ray photoelectron spectroscopy, have offered profound insights into these processes. Understanding and optimizing these dynamics is essential for developing high-performance photocatalytic systems to harness solar energy and address global energy demands sustainably. This review offers a concise explanation of charge transfer mechanisms at semiconductor–cocatalyst interfaces, explored through various experimental methodologies and theoretical frameworks. Exploring the underlying mechanism will open new avenues for advancing high-performance semiconductor photocatalytic technologies. The conclusion sheds light on the challenges and promising opportunities for enhancing the understanding and investigation of interfacial electron transfer dynamics in semiconductor–cocatalyst systems.