Advanced materials for hydrogen production, storage, and conversion: Mechanistic insights, comparative benchmarks, and sustainability roadmaps
Vandana Molahalli, C Sanjith, Sushanth L. Shetty, Aman Sharma, H. Ganesha, H. Vijeth, Nattaporn Chattham
Abstract
Hydrogen, with its high gravimetric energy density of ∼120 MJ kg −1 , is recognized as a key energy carrier for clean and sustainable systems. This review critically examines progress in materials development for hydrogen production, storage, and future battery technologies. Literature from 2015 to 2025 was comprehensively surveyed using databases such as Scopus, ScienceDirect, and Web of Science, focusing on materials innovation, process efficiency, and sustainability metrics. Emphasis is placed on novel catalysts, such as single-atom catalysts, transition metal dichalcogenides, and perovskite-based systems, which enhance electrochemical and photocatalytic hydrogen production under mild conditions. Advanced storage materials including metal hydrides, metal-organic frameworks (MOFs), and covalent organic frameworks (COFs) are highlighted for their improved reversibility and energy density. Emerging trends in solid-state, sodium-ion, and lithium-sulfur batteries are reviewed in the context of scalable, eco-friendly materials and interface optimization. While hydrogen offers benefits compared to fossil fuels, challenges such as low volumetric energy density, efficiency losses, and leakage remain. Overall, this review highlights the pivotal role of material science in advancing a carbon-neutral energy future and encourages interdisciplinary efforts to translate research into sustainable implementation.