Oxygen Vacancies in Piezoelectric ZnO Twin‐Mesocrystal to Improve Peroxymonosulfate Utilization Efficiency via Piezo‐Activation for Antibiotic Ornidazole Removal

) and achieves a high PMS utilization efficiency (0.162) that exceeds the most state-of-the-art catalytic processes, while excessive OVs suppressed the piezocatalytic performance. Through calculations of electron property and reactants affinity, a quantitative relationship between OVs concentration and piezocatalytic properties is established. The ZnO mesocrystal with moderate OVs concentration realized increased electron delocalization, reduced charge transfer barrier, and enhanced reactants affinity, thus accelerating the kinetics of PMS activation. This work provides theoretical guidance for the application of defect engineering in mesocrystal to realize enhanced piezocatalytic performance.