Unique capabilities of natural living beings aid its survival in harsh environment and inspired scientists toward biomimicry. Biomimicry enables adaptation of heritable traits and behavior of those natural elements. Mimicking nature to solve human needs gained significant attention in addressing sustainability over technological innovations. These innovations are highly interdisciplinary are not limited to architectures, clothing, aerodynamics, medicine, and so on. Globalization and increasing energy utilization, demand alternative resources for energy harvesting, conversion, and storage. Artificial photosynthesis is a technology that attempts to mimic natural process of photosynthesis in converting light energy to usable chemical energy. This process utilizes a catalyst that facilitate light energy conversion to storable hydrogen and other carbon-based fuels. The use of various types of catalyst including homogeneous, heterogeneous, and biocatalyst offer selectivity in the conversion processes. The conversion efficiency of natural photosynthesis range between 3 and 6% and the artificial photosynthesis struggles to achieve similar conversion efficiencies. Being a sustainable alternative for energy conversion and storage, artificial photosynthesis is hardly realized in application due to its limited conversion efficiency. Hence, the technology is still under investigation and development to help address the sustainability and future energy security. This chapter aims at summarizing the progress and prospects of nanoscience and technology in the field of artificial photosynthesis. Specifically, the principles and strategies adopted to engineer nanomaterial-based catalysts, and its performance improvement in energy conversion has been given special attention. The chapter could provide valuable insights into efficient catalyst design and bring in integration to develop renewable fuel production from solar energy.