Interaction mechanism between water molecules and perovskites

In recent years, significant progress has been made in the application of perovskite materials in the field of photovoltaics. However, their stability is still affected by the presence of water molecules. Investigating the interaction mechanism between water and perovskites is of great importance for enhancing their stability and advancing commercialization. This review, based on theoretical calculations, summarizes the mechanisms underlying the interaction between water and perovskites. These mechanisms encompass water molecule diffusion, perovskite decomposition induced by a high concentration of water, phase transitions, as well as the dual impact of water on defects. Furthermore, it discusses the influence of water on the quality and performance of perovskite devices in experimental settings. By comprehensively elucidating the theoretical mechanisms governing the interaction between water molecules and perovskites, this review offers both a theoretical foundation and practical guidance for enhancing the stability and optoelectronic performance of perovskite photovoltaic devices, while also facilitating further exploration of the underlying mechanisms. By discussing the interactions between water and perovskites, this review offers both a theoretical foundation and practical guidance for enhancing the stability and optoelectronic performance of perovskite photovoltaic devices.