Crystalline‐Amorphous Hybrid of MoS₂ for Enhanced Piezo‐catalytic Activation of Peroxomonosulfate Toward Organic Pollutants Degradation

Abstract Despite the promising potential of piezo‐catalysis in environmental remediation applications, the performance of various piezoelectric materials still suffer from low carrier concentrations, limited carrier mobility, and rapid recombination of electron‐hole pairs, and the reported modification strategies are quite intricate and challenging to implement. Herein, MoS₂ with varying degrees of crystallinity is synthesized through drying and thermal treatment processes, and the effect of crystal engineering on the performance of the piezo‐activated peroxomonosulfate (PAP) system is investigated. The MoS₂ annealed at 700 °C (M‐700) with a crystallization of 60.4% exhibited superior performance in the PAP system, which can degrade 99.6% of bisphenol A within 30 min with a mineralization rate of 57.0%. The positive correlation among the crystallinity of piezoelectric catalysts, the parameters of piezoelectric performance (d₃₃) and piezo‐catalytic performance within a certain range is proposed. From the density functional perturbation theory (DFPT), the crystalline‐amorphous hybrid of M‐700 provided an appropriate charge transfer rate, electron concentration, and mechanical strength, which is more conducive to stimulate the active species chain reaction of PMS. This study provides a novel method for improving the piezo‐catalytic activities and holds great promise for water pollution treatment.