Construction of type-II scheme SnO@HfC photocatalyst for bisphenol A degradation via peroxymonosulfate activation; DFT and self-cleaning analysis.

In this study, novel stannous oxide@hafnium carbide (SnO@HfC) nanocomposite was successfully manufactured by an appropriate hydrothermal scheme which was utilized for the photocatalytic degradation of BPA by stimulation of peroxymonosulfate (PMS) and self-cleaning application. Numerous methods were applied for the characterization of photocatalyst and demonstrated the successful preparation of SnO@HfC nanocomposite. The crystal structures, band structures and density of states for SnO and HfC were explored by DFT analysis. The amazing PMS stimulation performance of SnO@HfC nanocomposite originated from the establishment of a heterojunction, which led to the enhancement of the light response aptitude and the electron conduction competence of the composite. BPA was degraded by 0.75 g/L PMS and SnO@HfC at neutral pH during the period of 60 min. In order to identify active groups in the reaction procedure, quenching experiments and electron paramagnetic resonance (EPR) approaches were also used. In the subsequent active species scavenging assays, where sulfate radicals, hydroxyl radicals, holes, and superoxide radicals were engaged in the degradation of BPA. While, liquid phase mass spectrometry (LC-MS) was used to pinpoint the intermediate metabolites in the course of degradation. SnO@HfC/PMS/light system delivered excellent TOC removal efficiency and less ions leaching. The SnO@HfC nanocomposite proved good durability and reusability in continuous cycle tests along with excellent self-cleaning function on the glass substrate. The SnO@HfC nanocomposite performs admirably in terms of self-cleaning application. The SnO@HfC nanocomposite is expected to be used in the future for the treatment of wastewater that contains pharmaceuticals due to its superior stability and reusability after five consecutive cycles.

Peroxymonosulfate-based photocatalytic oxidation of tetracycline by Fe2(MoO4)3/Cd0.5Ni0.5S heterostructure; DFT simulation.

The current research is meant to develop novel semiconductor photocatalysts, for the decomposition of tetracycline (TC) as a model organic contaminant in the aquatic environment. The fabrication of Fe2(MoO4)3/Cd0.5Ni0.5S (FMO/CNS) composite has proven to be an effective method for improving the sustainability and photocatalytic activity of Cd0.5Ni0.5S (CNS). Under visible light irradiation, FMO/CNS nanocomposite demonstrated significant PMS activation which led to 1.36 and 1.81 times TC removal efficiency as compared to immaculate Fe2(MoO4)3(FMO) and CNS. FMO/CNS composite potentially promotes the segregation of electron-hole pairs (e--h+) and exemplifies amazing photocatalytic performance for TC degradation. Its significant photocatalytic activity is due to its unique structure, which includes tiny pores on the surface that confine the PMS molecule to the interface. The FMO/CNS composite has significantly greater piezocatalytic activity than pure FMO and CNS, demonstrating the synergistic effect of FMO and CNS. In the degradation of TC, holes and key reactive radicals (•O2-/•OH/SO4-•) played a major role. Computational studies (DFT) estimates, including the determination of intermediates, confirmed that the hydroxyl addition and C-N cleavage pathways were responsible for TC degradation. As a result, this work delivers a new approach to developing novel photocatalysts with high photocatalytic activity for the abatement of organic contaminants in water.