Ultrasound-engineered porous Cu-MOF for efficient detoxification of hazardous p-NPDPP nerve simulant

Abstract

The increasing risk of misuse of hazardous chemicals underscores the need for advanced materials capable of their rapid and complete detoxification. In this study, we report the ultrasound-assisted solvothermal synthesis of highly porous Cu-Metal Organic Framework, Cu-MOF (Cu3(BTC)2, BTC = 1,3,5 benzenetricarboxylic acid) and its application for the detoxification of para-nitrophenyl diphenyl phosphate (p-NPDPP) nerve simulant. X-ray Diffraction (XRD) confirmed face-centred cubic crystalline phase, while Field Emission Scanning Electron Microscopy (FESEM) and Brunauer-Emmett-Teller (BET) revealed well-defined octahedral nanoparticle morphology with a surface area of ∼863 m2/g. Cu-MOF demonstrated excellent thermal stability, precise chemical stoichiometry, and ∼1.7 fold higher detoxification efficiency (∼96%) than bulk Cu-MOF (b-Cu-MOF) in pure acetonitrile solvent under neutral ambient (298 K) conditions. Kinetic analysis showed a pseudo-second-order adsorption, best described by the Langmuir isotherm, yielding a maximum adsorption capacity of 52.1 mg/g for p-NPDPP. Thermodynamic analysis (Gibbs Free Energy, ΔG0 = -6.7 kJ/mol, Enthalpy ΔH0 = 11.5 kJ/mol, and Entropy ΔS0 = 59.1 J/mol·K at 298 K) inferred a spontaneous and endothermic detoxification process. These findings highlight Cu-MOF as an exceptionally efficient and sustainable material for the remediation of toxic organophosphorus compounds. © 2026 Elsevier B.V.