Membranes are an efficient way to treat emulsified heavy metal-based wastewater, but they generally come with a trade-off between permeability and selectivity. In this research, the amine and sulphonic groups on the inner and outer surface of mesoporous silica nanoparticles (MSNs) were first modified by a chemical approach. Then, MSNs with amine and sulphonic groups were utilized as new inorganic nanofiller to fabricate mixed matrix polysulfone (PSU) nanocomposite membranes using the classical phase inversion approach. The resultant nanoparticles and membranes were characterized by their physico-chemical characteristics as well as determination of pure water permeability along with cadmium and zinc ion removal. Embedding nanoparticles resulted in a significant rise in the water permeability as a result of changes in the surface properties and porosity of the membrane. Furthermore, the efficiency of developed membranes to remove cadmium and zinc was significantly improved by more than 90% due to the presence of functional groups on nanoparticles. The functionalized-MSNs/PSU nanocomposite membrane has the potential to be an effective industrial effluent removal membrane.

Two novel complexes, [(C₇H₁₀NO₂)CdCl₃]_n(I) and [(C₇H₉NO₂)CuCl₂],havebeen synthesized and characterized. Single crystal X-ray diffraction revealed that in compound (I), 2,6-dimethanol pyridinium acts as a monodentate ligand through the O atom of the hydroxyl group. Contrarily, the 2,6-dimethanol pyridine ligand interacts tridentately with the Cu(II) ion via the nitrogen atoms and the two oxygen (O, O’) atoms of the two hydroxyl groups. The structure’s intermolecular interactions were studied using contact enrichment ratios and Hirshfeld surfaces. Following metal coordination, numerous hydrogen connections between entities and parallel displacement stacking interactions between pyridine rings dictate the crystal packing of both compounds. The aromatic cycles generate layers in the crystal for both substances. Powder XRD measurements confirmed the crystalline sample phase purity. SEM confirmed the surface homogeneity, whereas EDX semi-quantitative analysis corroborated the composition. IR spectroscopy identified vibrational absorption bands, while optical UV-visible absorption spectroscopy investigated optical properties. The thermal stability of the two materials was tested using TG-DTA.

Polyaniline (PANI) was chemically doped and functionalized with single walled carbon nanotubes (SWCNTs). Various characterization methods were employed to study the structure and optical properties of PANI/SWCNTs nanocomposite, such as Fourier transform infrared (FTIR), differential scanning calorimetry (DSC), scanning electron microscopy (SEM), optical absorption, and stationary photoluminescence. Additionally, a theoretical study using density functional theory calculations was also carried out. It has been demonstrated that the doping process may reduce the band gap without affecting the molecular structure, leading to a better compatibility with the solar spectrum. Moreover, the functionalization process with SWCNTs was able to significantly improve the properties of the resulting nanocomposite. The final interpenetrating network of PANI/SWCNTs exhibited an optical gap of nearly 2.28 eV, from which localized states induced by the charge transfer were created at nearly 1.70 eV. In addition, the resulting donor–acceptor network leads to a separation of electron holes pairs rather than their recombination, which can be used as an active layer in photovoltaic applications and a photocatalyst for advanced oxidation processes.

Activated carbons have been prepared from rice straw by considering the material forms of rice straw, the chemical activation agent and the preparation method. The study seeks optimal conditions for giving better mico- and nano- properties, and to support the corresponding molecular structure. All the obtained results are referred to those of a commercial sample. Fourier transform infrared absorption, X-ray photoelectron spectroscopy, and dispersive X-ray spectroscopy are combined to determine functional groups. Moreover, a quantum chemical calculation has been done using density functional theory to argue the proposed molecular structure. Principally, the vibrational properties are compared to experimental results, and the corresponding electronic structure is calculated. Thermal stability and eventual reactions are evidenced by both differential and gravimetric thermal analysis. The surface topography of the resulting activated carbon is checked by scanning electron microscope and correlated with their chemical and textual characteristics carried out from Brunauer, Emmett and Teller analysis. Results illustrate that the resulting product is a mixture of carbon graphic structure and acidic/basic entities and exhibit a global acidic pH. The use of KOH as oxidant agent and the ground raw material form leads to obtain good properties such as higher surface area and higher porosity. Based on the size compatibility making it possible to introduce low-radius single-walled carbon nanotubes, the electronic structures of the prepared activated carbon and that of chiral (5,5) SWCNTs and their corresponding frontier molecular orbitals have been carried out at the DFT/6-31-G(d) level. These calculations are carried out to evidence the charge transfer between both components in the bulk hetero-nano-junctions as interpenetrating network.

Using acid–base assays and simple slow evaporation method at ambient temperature, we were successful in producing a novel salt with the chemical formula (C₅H₁₄N₂)[HgCl₄]·H₂O. According to single-crystal X-ray diffraction data, the crystal packing was regulated by H-bonds and by Coulomb interactions (also called electrostatic interactions) between distinct entities, which formed a 3D network. The 2D fingerprint plots and the Hirshfeld surface were utilized to examine the effect of intermolecular interactions. FTIR spectroscopy, PL spectroscopy, thermal analysis, and electrical conductivity experiments were also carried out, and the antioxidant activity was tested.