The world energy production trumped by the exhaustive utilization of fossil fuels has highlighted the importance of searching for an alternative energy source that exhibits great potential. Ongoing efforts are being implemented to resolve the challenges regarding the preliminary processes before conversion to bioenergy such as pretreatment, enzymatic hydrolysis and cultivation of biomass. Nanotechnology has the ability to overcome the challenges associated with these biomass sources through their distinctive active sites for various reactions and processes. In this review, the potential of nanotechnology incorporated into these biomasses as an aid or addictive to enhance the efficiency of bioenergy generation has been reviewed. The fundamentals of nanomaterials along with their various bioenergy applications were discussed in-depth. Moreover, the optimization and enhancement of bioenergy production from lignocellulose, microalgae and wastewater using nanomaterials are comprehensively evaluated. The distinctive features of these nanomaterials contributing to better performance of biofuels, biodiesel, enzymes and microbial fuel cells are also critically reviewed. Subsequently, future trends and research needs are highlighted based on the current literature.