Carbonfootprint reductions through the use of renewable bio-resources are an appealing path to develop sustainable and economically viable green energy production. Biohydrogen production through biological processes is more eco-friendly. However lower yield of biohydrogenis due to the shift in metabolic pathways towards other products. This could be overcome by using nanomaterials with unique properties such as crystalline nature, stability, adsorption ability, catalytic properties, increased electroconductivity, and a high surface-to-volume ratio significantly enhances hydrogen generation. In this context, the review addresses the influence of nanomaterials for the production of biohydrogen. NPs interaction with bacteria, substrate, and enzyme changes were deeply studied for biotransformation properties in biohydrogen production. However, the biotransformation that occurs due to the presence of nanoparticles changes in molecular mechanisms of biohydrogen generation through the different biological processes that could be intensively studied.