Strategic Fitting of a ZIF-67 Metal–Organic Framework into the Interface Band Structure of a Binary Heterojunction for Enhanced Photocatalytic Performance toward Aqueous Contaminants

The rational construction of MOF-based heterostructures remains a major design challenge in the domain of materials science. This study demonstrates the use of MOFs as a tool for engineering both the surface and electronic properties of binary photocatalytic heterojunctions, as opposed to their conventional utilization for inducing superficial changes at the surface level. Precisely, ZIF-67 MOF was rationally assembled onto a binary BiVO 4 /Fe 3 O 4 heterostructure. The resulting ZIF/BiVO 4 /Fe 3 O 4 ternary heterostructure displayed superior structural, textural, morphological, and electronic attributes compared to the individual and binary photocatalytic systems. Photocatalytic tests against the model water pollutant tetracycline (TC) revealed the best photocatalytic efficiency (95.5%) for the ternary heterostructure, owing to its superior properties. Interestingly, mechanistic investigations using scavenging and VB-XPS analyses revealed the crucial role of the electronic coordination of ZIF-67 with the BiVO 4 /Fe 3 O 4 heterojunction, wherein ZIF-67 played an active role in the charge transfer flow dynamics, which eventually resulted in enhanced efficiency. These outcomes present a robust design strategy encompassing the strategic utilization of MOFs in functional materials to engineer their key properties for enhancing their performance toward sustainable wastewater photocatalytic remediation.