Design of Experiments for Enhanced Catalytic Activity: Cu-Embedded Covalent Organic Frameworks in 4-Nitrophenol Reduction

Chemical reduction using catalysts and NaBH₄ presents a promising approach for reducing 4-nitrophenol contamination while generating valuable byproducts. Covalent organic frameworks (COFs) emerge as a versatile platform for supporting catalysts due to their unique properties, such as high surface area and tunable pore structures. This study employs design of experiments (DOE) to systematically optimize the synthesis of Cu embedded COF (Cu/COF) catalysts for the reduction of 4-nitrophenol. Through a series of experimental designs, including definitive screening, mixture method, and central composition design, the main synthesis parameters influencing Cu/COF formation are identified and optimized: MEL:TPA:DMSO = 0.31:0.36:0.33. Furthermore, the optimal synthesis temperature and time were predicted to be 195 °C and 14.7 h. Statistical analyses reveal significant factors affecting Cu/COF synthesis, facilitating the development of tailored nanostructures with enhanced catalytic performance. The catalytic efficacy of the optimized Cu/COF materials is evaluated in the reduction of 4-nitrophenol, demonstrating promising results in line with the predictions from DOE.