Bridging mechanisms and performance: engineering zirconium-based nanomaterials for high-efficiency photocatalysis

Abstract Zirconium-based nanomaterials have emerged as an appealing family of semiconductor photocatalysts, thanks to their distinctive physicochemical properties including excellent chemical stability and tunable band structures. Even so, their photocatalytic performance is often constrained by intrinsic flaws in electronic configuration and microstructure. To overcome these drawbacks, a variety of modification strategies have been developed and rationally tailored for zirconium-based photocatalysts over recent years, achieving significant enhancements in their photocatalytic performance and durability. Despite these remarkable advancements, the core mechanisms governing the substantial improvement of photocatalytic performance remain inadequately explored and lack comprehensive elucidation. In this review, we provide a comprehensive overview of zirconium-based nanomaterials for advanced photocatalysis, with a focus on their synthetic routes, modification strategies, and practical applications. We also present an analysis of advanced characterizations and theoretical calculations for mechanism interpretation, aiming to establish the design paradigms and robust theoretical foundations for rational fabrication of zirconium-based photocatalysts.