In the scope of the rapid technological advancements, nanoparticles (NPs) have gained prominence due to their excellent and tunable biological, and physicochemical properties. Nowadays, different methods are used for their synthesis. In particular, the green synthesis of metal precursors for the synthesis of NPs, represents a cost-effective, environmentally friendly, and hazardous chemical-free method for developing a large variety of NPs. By exploiting plant extracts, the production rate of NPs is relatively faster. Due to fossil reserves and high fuel consumption, renewable and clean energy materials are urgently needed to improve environmental sustainability. With outstanding electrochemical and physicochemical characteristics, molybdenum-based NPs (Mo-NPs) are gaining increasing attention in the fields of energy conversion and storage. Considering the significance of Mo-NPs synthesized from greener routes and their energy applications, it is necessary to review recent trends and developments in this field. This review summarizes important research studies and future research guidelines for the preparation of Mo-NPs through green routes and their applications to meet global energy and environmental demands. Moreover, future research directions are also highlighted to achieve sustainable greener precursors and Mo-NPs based energy storage devices. © 2021 Hydrogen Energy Publications LLC