Facet-engineered MIL-88A1(Fe-MOF)/MoO3 Z-scheme heterojunction for enabling efficient peroxymonosulfate-driven photo-degradation of ciprofloxacin: Synergetic performance, DFT calculations and mechanism insights


Malhotra M., Soni V., Singh P., Dinh D. A., Katin K. P., KAYA S., ...Daha Fazla

Journal of Water Process Engineering, cilt.88, 2026 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 88
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1016/j.jwpe.2026.110173
  • Dergi Adı: Journal of Water Process Engineering
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, INSPEC
  • Anahtar Kelimeler: Ciprofloxacin degradation, Facet engineering, MIL-88A, MoO3, Photocatalyst, PMS activation, Z-scheme
  • Sivas Cumhuriyet Üniversitesi Adresli: Evet

Özet

The future research focus aligns with the theme “Science for Securing a Sustainable Tomorrow” because of the increasing global demand for clean water. This is the most critical challenge that needs to be addressed by developing advanced sustainable water purification technologies, thereby contributing to the United Nations Sustainable Development Goal (SDG 6: Clean Water and Sanitation). In this work, a novel facet-controlled MIL-88A1/MoO3 Z-scheme heterostructure was successfully developed for the photo-degradation of ciprofloxacin antibiotic through peroxymonosulfate (PMS) activation. Among the synthesized MIL-88Ax, MIL-88A1 stands out due to its highly intense and preferentially exposed (101) facet as verified by Powder X-ray Diffraction (PXRD) and supported by Density Functional Theory (DFT) calculations. The uniform and well-defined morphology also enhances the availability of the active site, resulting in improved ciprofloxacin removal efficacy in the case of MIL-88A1. Notably, the PMS-assisted Z -scheme MIL-88A1/MoO3 3 wt% system achieved 96.62% ciprofloxacin removal efficiency within 60 min under visible light irradiation. The proposed Z-scheme charge transfer pathway efficiently promotes charge carrier separation, suppresses recombination, and facilitates interfacial charge transfer across the (101) facet. Furthermore, DFT results revealed that strong PMS adsorption was achieved on the (101) surface of MIL-88A1, corroborating the enhanced activation efficacy. Radical scavenging and ESR results confirmed the participation of radical and non-radical species, with •OH radical dominating the ciprofloxacin photo-degradation mechanism. Liquid chromatography-mass spectrometry (LC-MS) analysis was utilized to identify main intermediates and the four degradation pathways for CIP. The heterojunction also demonstrated excellent stability over four consecutive cycles, highlighting its reusability and potential for practical applications in wastewater treatment.