Water and energy are intimately related, as water is required for energy applications and energy is required for water-based technologies. Two large groups of photovoltaic adoptions have been identified in this review: first, those in which the photovoltaic system is separated from the water technology. In second group, the photovoltaic system is in physical contact with the water technology thereby its performance is affected either in a positive or negative way. The novelty of this review work lies in the classification of photovoltaic system adoption in various water related technologies. Apart from classification, discussions on system configurations, working aspects, performance aspects, economic aspects and scope for further investigations have been presented in detail. Wastewater treatment plants are identified to be the most suitable site for photovoltaic module installation and utilization. Among power sectors, hydro power plants are highly compatible with photovoltaic adoption because it enhances hydro power plant’s operation time and utilization. Floating photovoltaic, submerged photovoltaic, agrivoltaic, aquavoltaic and solar photovoltaic + water disinfection are relatively new, highly attractive and have more scope for further improvements. Agrivoltaic and aquavoltaic increases crop & sea food production, enhances farmers’ income, encourage clean energy transition and rural electrification. Research works in the area of unmanned photovoltaic based water vehicles, photovoltaic salt harvest and various applications of water based photovoltaic/thermal modules have also been discussed. This review will serve as a guidebook for researchers and policy makers to identify and select suitable configuration of photovoltaic–water related technologies for implementation and further investigations.