Optimizing ligand-to-metal charge transfer in metal-organic frameworks to enhance photocatalytic performance

Metal-organic frameworks (MOFs) have been widely investigated as active photocatalytic material for energy conversion and environmental purification. This review meticulously examines the charge transfer mechanisms within MOFs upon photoexcitation, with a particular emphasis on ligand-to-metal charge transfer (LMCT) and metal-to-ligand charge transfer (MLCT). These processes are essential for the generation and maintenance of effective charge separation, wherein LMCT is especially critical for the photocatalytic applications of MOFs. The analysis begins with an exploration of the charge transfer mechanisms within the MOFs' structure, assessing the impact of various factors on LMCT, including the metal center, ligand structure, overall spatial configuration and reaction environment. Furthermore, the review provides an in-depth exploration of the advantages and applications of LMCT in photocatalysis. It concludes with an outlook on the future development of LMCT in the field of photocatalysis, underscoring its transformative potential with ongoing research and innovation.