This comprehensive review explores the transformative role of nanomaterials in advancing the frontier of hydrogen energy, specifically in the realms of storage, production, and transport. Focusing on key nanomaterials like metallic nanoparticles, metal–organic frameworks, carbon nanotubes, and graphene, the article delves into their unique properties. It scrutinizes the application of nanomaterials in hydrogen storage, elucidating both challenges and advantages. The review meticulously evaluates diverse strategies employed to overcome limitations in traditional storage methods and highlights recent breakthroughs in nanomaterial-centric hydrogen storage. Additionally, the article investigates the utilization of nanomaterials to enhance hydrogen production, emphasizing their role as efficient nanocatalysts in boosting hydrogen fuel cell efficiency. It provides a comprehensive overview of various nanocatalysts and their potential applications in fuel cells. The exploration extends to the realm of hydrogen transport and delivery, specifically in storage tanks and pipelines, offering insights into the nanomaterials investigated for this purpose and recent advancements in the field. In conclusion, the review underscores the immense potential of nanomaterials in propelling the hydrogen energy frontier. It emphasizes the imperative for continued research aimed at optimizing the properties and performance of existing nanomaterials while advocating for the development of novel nanomaterials with superior attributes for hydrogen storage, production, and transport. This article serves as a roadmap, shedding light on the pivotal role nanomaterials can play in advancing the development of clean and sustainable hydrogen energy technologies.