Transition metals in water treatment: from fundamental mechanisms to practical applications

Abstract Transition metals have garnered significant attention for their roles in addressing energy shortages and environmental water pollution. Their multivalent states and unique electron transfer properties facilitate charge transfer in the conversion reaction, expedite energy conversion, and achieve low‐energy water treatment. This review comprehensively explores the fundamental mechanisms and practical applications of transition metals in water treatment, including adsorption, photocatalysis, electrocatalysis, photoelectrocatalysis, and other technologies. The feasibility of water treatment using transition metal‐based materials is demonstrated through theoretical studies on typical transition metals employed in these water treatment technologies while emphasizing the potential for optimizing material performance through strategies like structural design, defect engineering, crystal engineering, composite materials, surface modification, and atomic catalysts. In addition, the utilization of transition metal‐based materials in practical wastewater treatment is comprehensively reviewed. Finally, the challenges and perspectives of transition metal‐based materials in practical wastewater treatment are outlined, providing a theoretical foundation and guidance for future research and engineering advancements.