Mechanochemically Engineered Functional Materials: Advancing Photocatalysis for Sustainable Fuels

Abstract The pressing demand for sustainable energy solutions has spurred the development of innovative fuel production methods. Mechanochemistry has emerged as a powerful strategy for engineering functional materials with enhanced photocatalytic properties, offering a greener and more efficient route to solar‐driven fuel generation. This review thoroughly explores the role of mechanochemistry in designing and optimizing visible‐light‐active photocatalysts, with a particular focus on hydrogen production and CO ₂ photoreduction, highlighting its potential to enable energy‐efficient, solvent‐free, and scalable synthesis. The mechanochemical synthesis of advanced semiconductor‐based photocatalysts, including titania‐based materials, metal‐free photocatalysts, supported metal species ranging from nanoparticles to clusters and single atoms, perovskites, Metal‐Organic Frameworks (MOFs), and bioconjugates, offers a sustainable alternative to conventional fabrication methods, minimizing energy consumption and solvent waste. Additionally, the final section of this manuscript provides insights into the direct application of mechanical energy for fuel production. Finally, this review discusses the challenges and future directions of mechanochemically engineered photocatalysts, positioning this approach as a key enabler of next‐generation solar fuel technologies.