Scalable Electrochemical Detection and Degradation of 1,4-Dioxane in Water and Wastewater: A Core-Shell Bimetallic Nanocatalyst and Simulation Study

We hereby report the synthesis, characterization, and computational analysis of novel bimetallic PdRu nanoparticles (PdRuNPs) using the quercetin-para aminobenzoic acid (QPABA) ligand and their application in developing a sensitive and scalable electrochemical system for effective detection and degradation of 1,4-dioxane in water samples. The fabricated nanocatalysts were subjected to UV-visible spectroscopy, particle size analyzer, XRD, SEM, STEM-EDX, TEM, and FTIR. Also, the DFT B3LYP computational study shows that stable PdRuNPs form through Pd and Ru interactions with QPABA at the carboxyl OH sites on the G and F rings, respectively. The limit of detection for 1,4-dioxane was determined to be 0.034 ppb, which is below the U.S. Environmental Protection Agency’s advisory range. Additionally, combining liquid-liquid extraction with GC-MS for the detection of 1,4-dioxane registered a method detection limit of 0.033 ppb in real wastewater samples. In the scaled-up system, three actual wastewaters from a wastewater treatment plant in New Jersey containing 1,4-dioxane up to 300 ppm were able to be 100% removed within 30 min. In addition, LC-MS analysis revealed the final reduction of 1,4-dioxane to carbon dioxide and water. This study provides a reliable method for the scalable and simultaneous detection and degradation of hazardous chemicals, enhancing the environmental safety.