Roshanak Jalali, Seyed Reza Shabanian, Mohsen Ghorbani
• Structure-property roadmap for improving UiO-66-based photocatalysts across reactions. • Toolbox: Linker/node tuning, defects, heterojunctions, hydrophobicity, single-atom sites. • Analysis of roles in light absorption, charge separation and oxidation/reduction enhancement. • Applications: CO 2 reduction, H 2 and NH 3 production, NO x removal, pollutant degradation. • Synthesis and optimization of photocatalysts using machine learning. • Challenges: stability, scalability, electron transfer, life cycle.