Solar conversion of water to hydrogen fuel is projected as the attractive options to address the present global warming and energy crisis worldwide. The mission for better use of the solar spectrum for these processes drives to find efficient catalyst. Till now, extensive efforts have been paid to develop environ-friendly, cost effective, efficient and long-lasting catalysts for photo-splitting of water. To date, few hundreds of materials with different geometries and chemical properties have been reported for this purpose. Among them, perovskite systems hold a broad class of heterogeneous photocatalysts due to their unique characteristics. This section describes an overview of photocatalyst and reviews the recent advancement of perovskite type photocatalysts using the theoretical modelling and provides the key perspectives and challenges in the area of photocatalysts research for the visible light-driven water splitting process.