Regulating the Ligand N-Heterocyclic Coordination in Bismuth-Based MOFs for Efficient CO2 Photoreduction

The increasing global concern over environmental degradation and resource depletion has driven the search for sustainable technologies to mitigate CO₂ emissions. Recently, bismuth-based metal organic frameworks (Bi-MOFs) have garnered significant attention due to their high stability, adjustable porosity, and excellent light absorption properties. However, weak visible light absorption and charge recombination are still obstacles to wide application. In this study, a new class of Bi-MOFs based on tribenzoic acid with different ligand N-atom number was synthesized by solvothermal method. Experimental and computational results indicated that the introduction of one N-heterocyclic pyridine group within the ligand led to an enhanced localized internal electric field (LIEF), which could promote efficient charge separation and enhance the interaction with CO₂ molecules, thus improving photocatalytic activity. This study highlights the potential of pyridine-functionalized ligands for the design of high-performance MOFs for CO₂ reduction, providing valuable insights for the development of advanced materials in environmental sustainability efforts.