<p>This study investigates the effect of morphology regulation in zinc-based zeolitic imidazolate framework (ZIF) materials when used as carrier transport media for CsPbBr₃ quantum dots (CPB QDs) in photoelectrochemical (PEC) applications. By synthesizing ZIF materials with various morphologies, including hexagonal structures, the impact on charge transfer efficiency and overall PEC performance is evaluated. Particular attention is given to the interaction between the Pb atoms in CPB QDs and the nitrogen atoms in the imidazole ligands of the ZIF structure. The formation of Pb–N coordination bonds enhances the stability of the CPB/ZIF composites and facilitates charge transfer at the interface. Results show that the hexagonal morphology of Zn-ZIFs exhibits superior photocurrent density, attributed to its larger surface area, optimized charge transport pathways, and strong Pb–N bonding. Through electrochemical impedance spectroscopy (EIS), photoluminescence (PL), UV–visible spectroscopy, and Mott–Schottky measurements, the interfacial properties, carrier transport characteristics, and band structure of the composites are thoroughly analyzed, demonstrating their potential in future energy harvesting and optoelectronic device applications.</p> Graphical Abstract <p></p>