DFT and experimental studies of the facet-dependent oxygen vacancies modulated WS2/BiOCl-OV S-scheme structure for enhanced photocatalytic removal of ciprofloxacin from wastewater.

The present study explores visible light-assisted photodegradation of ciprofloxacin hydrochloride (CIP) antibiotic as a promising solution to water pollution. The focus is on transforming the optical and electronic properties of BiOCl through the generation of oxygen vacancies (OVs) and the exposure of (110) facets, forming a robust S-scheme heterojunction with WS2. The resultant OVs mediated composite with an optimal ratio of WS2 and BiOCl-OV (4-WS2/BiOCl-OV) demonstrated remarkable efficiency (94.3%) in the visible light-assisted photodegradation of CIP antibiotic within 1.5 h. The CIP degradation using 4-WS2/BiOCl-OV followed pseudo-first-order kinetics with the rate constant of 0.023 min-1, outperforming bare WS2, BiOCl, and BiOCl-OV by 8, 6, and 4 times, respectively. Density functional theory (DFT) analysis aligned well with experimental results, providing insights into the structural arrangement and bandgap analysis of the photocatalysts. Liquid chromatography-mass spectrometry (LC-MS) analysis utilized for identifying potentially degraded products while scavenging experiments and electron paramagnetic resonance (EPR) spin trapping analysis elucidated the S-scheme charge transfer mechanism. This research contributes to advancing the design of oxygen vacancy-mediated S-scheme systems in the realm of photocatalysis, with potential implications for addressing water pollution concerns.

Tuning of Sm3+ and Er3+-doped TiO2 nanofibers for enhancement of the photocatalytic performance: Optimization of the photodegradation conditions.

Titanium dioxide (TiO2)-based nanofibers doped with samarium (Sm3+) and erbium (Er3+) at doping levels tuned in the range of 0.05-1.0% were prepared by the electrospinning-calcination method. The produced materials were well characterized by X-ray diffraction, SEM, EDX, and UV-vis diffuse reflectance spectroscopy. These one-dimensional nanostructures showed a crystalline structure with values of fiber diameters values between 60 and 100 nm. The best catalyst sample of this study was formulated as TiO2:Sm (0.1%) and sintered at 600 °C. And, it was employed to intensify the photocatalytic process under visible-light irradiation. Likewise, the chemometric approach was applied to optimize the process. The results revealed that the rate constant for the photo-degradation of a cationic organic pollutant was significantly improved (k = 3.496 × 10-1 min-1). In terms of the reaction half-life, the intensification and optimization of the process led to a decrease in the half-life of the reaction from 68 to 2 min. And, these are outstanding findings for the photo-degradation process under visible-light irradiation. In addition, the total organic carbon (TOC) removal efficiencies were found to be 69.95% and 72.30% for the mineralization of MB and CIP, respectively, after a 360 min reaction time, which are significant results. Moreover, this material demonstrated remarkable photocatalytic activity for the degradation of ciprofloxacin (CIP) with a 99.6% removal efficiency and a rate constant of 4.292 × 10-1 min-1. Finally, the stability and reusability of this catalyst were demonstrated during five repetitive cycles of the CIP photodegradation.