Nanostructured Catalysts for Electro- and Photocatalytic Energy Conversion: Design Strategies, Mechanistic Descriptors, and Practical Applications

Nanostructured catalysts have become a core component of energy conversion in electrocatalysis and photocatalysis; however, successfully translating their performance from laboratory scale to industrial applications remains a long-standing challenge. This paper provides a critical assessment of the field, systematically tracing the entire development trajectory from catalyst design to practical application. We focus on five major classes of catalysts—monometallic catalysts, bimetallic/multimetallic alloy catalysts, metal compound catalysts, carbon-based composite catalysts, and single-atom catalysts—and explore synthetic strategies for achieving precise structural control, including hydrothermal/solvothermal methods, electrodeposition, template-assisted and MOF-derived syntheses, high-temperature pyrolysis, and post-treatment defect engineering. This paper delves into the mechanisms and performance descriptors governing the hydrogen evolution reaction (HER), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), urea oxidation, photocatalytic water splitting, and CO2 reduction. Based on the above analysis, this paper lays the mechanistic foundation for five core strategies to improve catalyst performance: morphology control, elemental doping, heterostructure and interface engineering, defect and vacancy engineering, and support modification. Furthermore, this paper provides an in-depth evaluation of the applications of these catalysts in water splitting, CO2 valorization, fuel cells, metal–air batteries, and energy-saving electrolysis, with a particular focus on earth-abundant alternatives to precious metals. We argue that in many well-studied reactions, intrinsic activity may no longer be the primary bottleneck restricting their development; instead, the core challenge now lies in maintaining excellent catalytic performance under harsh and industrially relevant conditions, especially under high-current densities, impurity-containing feed systems, and long-term operating conditions. In response to this shift in research focus, this paper clearly identifies the key obstacles hindering the industrial application of catalysts and proposes practical directions for future research.