The urgent need for efficient detoxification of carcinogenic hexavalent chromium (Cr(VI)) in aquatic environments has driven the development of advanced photocatalytic materials. This study presents the synthesis of 2D CuO/reduced graphene oxide (rGO) nanocomposite via probe sonication, designed to synergistically enhance the photocatalytic reduction of Cr(VI) to less toxic Cr(III). The nanocomposite was meticulously characterized using XRD, HRTEM, FESEM, XPS, and UV-Vis diffuse reflectance spectroscopy. Structural analysis confirmed the formation of CuO nanosheets (average size: 396 nm, thickness: 6 nm) integrated with rGO, where the rGO acted as an electron acceptor, mitigating charge recombination. XPS revealed Cu²⁺ in CuO and Cu(OH)₂ phases, while FTIR confirmed interfacial interactions between CuO and rGO via oxygen functional groups. The CuO/rGO composite exhibited a reduced bandgap (1.35 eV → lower with rGO incorporation) and broad visible-light absorption, critical for photocatalytic activity. Under visible light, the composite achieved a remarkable 75% Cr(VI) reduction efficiency within 180 min triple that of pure CuO (25%) with a rate constant (0.007 min⁻¹) sevenfold higher. This enhancement is attributed to rGO role in facilitating electron transfer from CuO conduction band to its LUMO, minimizing electron-hole recombination. The composite demonstrated excellent recyclability over three cycles without significant efficiency loss. These findings underscore the potential of CuO/rGO as a robust, sustainable photocatalyst for environmental.

The surface of pure polytetrafluoroethylene (PTFE) microfibers was modified with ZnO and graphene (G), and the composite was studied using ATR-FTIR, XRD, and FESEM. FTIR results showed that two significant bands appeared at 1556 cm⁻¹ and 515 cm⁻¹ as indications for CuO and G interaction. The SEM results indicated that CuO and G were distributed uniformly on the surface of the PTFE microfibers, confirming the production of the PTFE/CuO/G composite. Density functional theory (DFT) calculations were performed on PTFE polymer nanocomposites containing various metal oxides (MOs) such as MgO, Al₂O₃, SiO₂, TiO₂, Fe₃O₄, NiO, CuO, ZnO, and ZrO₂ at the B3LYP level using the LAN2DZ basis set. Total dipole moment (TDM) and HOMO/LUMO bandgap energy ΔE both show that the physical and electrical characteristics of PTFE with OCu change to 76.136 Debye and 0.400 eV, respectively. PTFE/OCu was investigated to observe its interaction with graphene quantum dots (GQDs). The results show that PTFE/OCu/GQD ZTRI surface conductivity improved significantly. As a result, the TDM of PTFE/OCu/GQD ZTRI and the HOMO/LUMO bandgap energy ΔE were 39.124 Debye and ΔE 0.206 eV, respectively. The new electrical characteristics of PTFE/OCu/GQD ZTRI indicate that this surface is appropriate for electronic applications.

This groundbreaking research delves into the intricate molecular interactions between MXene and trihalomethanes (THs) through a comprehensive theoretical study employing density-functional theory (DFT). Trihalomethanes are common carcinogenic chlorination byproducts found in water sanitation systems. This study focuses on a pristine MXene [M_n+1·X_n] monolayer and its various terminal [T_x] functional groups [M_n+1·X_nT_x], strategically placed on the surface for enhanced performance. Our investigation involves a detailed analysis of the adsorption energies of THs on different MXene types, with the MXene-Cl layer emerging as the most compatible variant. This specific MXene-Cl layer exhibits remarkable properties, including a total dipole moment (TDM) of 12.443 Debye and a bandgap of 0.570 eV, achieved through meticulous geometry optimization and computational techniques. Notably, THs such as trichloromethane (CHCl₃), bromide-chloromethane (CHBrCl₂), and dibromochloromethane (CHBr₂Cl) demonstrate the highest TDM values, indicating substantial changes in electronic and optical parameters, with TDM values of 16.363, 15.998, and 16.017 Debye, respectively. These findings highlight the potential of the MXene-Cl layer as an effective adsorbent and detector for CHF₃, CHClF₂, CHCl₃, CHBrCl₂, and CHBr₂Cl. Additionally, we observe a proportional increase in the TDM and bandgap energy, indicative of conductivity, for various termination atom combinations, such as Mxene-O-OH, Mxene-O-F, Mxene-O-Cl, Mxene-OH-F, Mxene-F-Cl, and Mxene-OH-Cl, with bandgap energies measured at 0.734, 0.940, 1.120, 0.835, and 0.927 eV, respectively. Utilizing DFT, we elucidate the adsorption energies of THs on different MXene surfaces. Our results conclusively demonstrate the significant influence of the termination atom nature and quantity on MXene’s primitive TDM value. This research contributes to our understanding of MXene–THs interactions, offering promising avenues for the development of efficient adsorbents and detectors for THs. Ultimately, these advancements hold the potential to revolutionize water sanitation practices and enhance environmental safety.

The demand for reactive dyes in industries has increased rapidly in recent years, and producing a large quantity of dye-containing effluent waste contaminates soils and water streams. Current efforts to remove these harmful dyes have focused on utilizing functionalized nanomaterials. A 3D polyurethane foam loaded with reduced graphene oxide (rGO) and ZnO nanocomposite (PUF/rGO/ZnO) has been proposed as an efficient structural design for dye degradation under the influence of visible light. The proposed structure was synthesized using a hydrothermal route followed by microwave irradiation. The resultant 3D PUF/rGO/ZnO was examined and characterized by various techniques such as XRD, FTIR, SEM, EDAX, BET, and UV–visible spectroscopy. SEM data illustrated that a good dispersion and embedment of the rGO/ZnO NPs within the PUF matrix occurred. The adsorption capacity for neat PUF showed that around 20% of the Methylene blue (MB) dye was only adsorbed on its surface. However, it was found that an exceptional adsorption capacity for MB degradation was observed when the rGO/ZnO NPs inserted into the PUF, which initially deteriorated to ~ 70 % of its initial concentration. Notably, the MB dye was completely degraded within 3 h.