Catalytic Materials for Hydrogen Generation: Design, Properties, and Applications in Sustainable Energy Systems

Catalytic materials are central to the advancement of hydrogen generation technologies, playing a pivotal role in enabling sustainable, carbon-neutral energy systems. Hydrogen can be produced via electrochemical water splitting, thermochemical reforming, or photocatalysis—each imposing unique performance requirements on catalysts in terms of activity, selectivity, stability, and efficiency. While traditional noble metals (e.g., platinum, ruthenium, iridium) provide benchmark catalytic activity, their widespread use is hindered by scarcity, high cost, and limited long-term durability. Consequently, researchers have increasingly focused on earth-abundant alternatives such as transition metals (Ni, Co, Fe, Mo), alloys, metal oxides, carbides, sulfides, nitrides, and carbon-based systems. Among these, two-dimensional materials, particularly the MXene family, have attracted significant attention due to their metallic conductivity, layered structure, and tunable surface chemistry. These features enable rapid charge transfer and abundant active sites, making MXenes and related nanostructured catalysts promising for both the Hydrogen Evolution Reaction (HER) and Oxygen Evolution Reaction (OER) across a wide range of electrochemical conditions. Parallel efforts have integrated novel semiconductors, plasmonic nanomaterials, and hybrid heterostructures to improve the efficiency of solar-to-hydrogen energy conversion. This paper reviews the main types of catalytic materials used in hydrogen production, explains their design strategies and structure–performance relationships, and discusses key engineering challenges such as integrating renewable energy sources, scaling up manufacturing, and ensuring long-term durability in real-world systems. Future research goals are also highlighted, including the development of affordable non-noble catalysts, enhancing catalyst stability through surface and defect engineering, and coupling hydrogen production with circular economy principles, all of which are essential to making hydrogen generation more efficient, scalable, and cost-effective as the world transitions to clean and sustainable energy.