Search Results (214)

Metal–organic frameworks (MOFs), particularly ZIF-8, have emerged as promising materials due to their high porosity, tunability, and chemical stability. In this study, we report the synthesis of ZnFe₂O₃-doped ZIF-8 composites with 10 wt% loading via a solvothermal method to enhance their optical and photocatalytic performance. Structural analyses confirmed the successful incorporation of ZnFe₂O₃ without disrupting the ZIF-8 framework. Optical studies revealed enhanced absorption in the visible range, a narrowed bandgap (4.26 eV vs. 4.37 eV for pristine ZIF-8), and an increased extinction coefficient, indicating superior light-harvesting potential. The photocatalytic activity was evaluated by methylene blue (MB) degradation under visible light, where the 10 wt% ZnFe₂O₃-ZIF-8 composite achieved 90% degradation efficiency, outperforming pristine ZIF-8 (67.8%). The catalyst also demonstrated excellent recyclability over five cycles and a proposed degradation mechanism involving ·OH and ·O₂⁻ radical formation. These findings demonstrate the potential of highly doped ZnFe₂O₃@ZIF-8 composites for environmental remediation and photonic applications. Full article

The first-principles calculation method was used to study doping elements with atomic numbers in the range of 23–30 (V–Zn) to form a single-atomic-spin nanochannel in a CoTiSb matrix. In a Ni-Sb single-atomic chain with high spin polarization and hole electrical conductivity, V-Sb, Mn-Sb, Fe-Sb, and Co-Sb single-atom chains have 100% spin polarization, indicating that a supercell containing the central atom chain has typical half-metal characteristics, and in the CoTiSb matrix, is centered on very small single-spin nanochannel forms. Using doping elements with atomic numbers between 23 and 27 (V-Co), the total magnetic moment of the supercell is constantly increasing, but the total magnetic moment of the Ni-doped supercell (Ni-Ti supercell) reduces, and a Cr-Ti supercell has an equal total magnetic moment. Doping elements Cu and Zn have atomic numbers higher than the range. Although the material of the nanochannel retains ferromagnetic properties, the spin polarization rate is reduced, and the material no longer has half-metallic properties. Full article

This study reports the synthesis, structural characterization, adsorption studies, nanoscale interaction, and photocatalytic application of pure and Fe-doped ZnS quantum dots for the degradation of the antibiotic cefalexin in aqueous solution. Nanoparticles were synthesized via the microwave-assisted method, and Fe doping was introduced at a 1% molar ratio. HRTEM images confirmed quasi-spherical morphology and high crystallinity, with particle sizes averaging 2.4 nm (pure) and 3.5 nm (doped). XRD analysis showed a consistent cubic ZnS structure. UV-vis spectra showed strong absorption at 316 nm for both samples, and PL measurements revealed emission quenching upon Fe doping. Photocatalytic tests under UV light demonstrated significantly higher degradation rates of 10 ppm cefalexin with Fe-doped ZnS, reaching near-complete removal within 90 min. Adsorption experiments revealed higher affinity and adsorption capacity of Fe-doped ZnS toward cefalexin compared to pure ZnS, as demonstrated by the Freundlich isotherm analyses, contributing significantly to enhanced photocatalytic degradation performance. High-resolution QTOF LC-MS analysis confirmed the breakdown of the β-lactam and thiazolidine rings of cefalexin and the formation of low-mass degradation products, including fragments at m/z 122.0371, 116.0937, and 318.2241. These findings provide strong evidence for the structural destruction of the antibiotic and validate the enhanced photocatalytic performance of Fe-doped ZnS. Full article

This study focuses on the structural and electrochemical behavior of the compound ZnLaFeO₄ as a negative electrode material for nickel–metal hydride (Ni-MH) batteries. The material was synthesized by a sol–gel hydrothermal method to assess the influence of lanthanum doping on the ZnFe₂O₄ spinel structure. X-ray diffraction revealed the formation of a dominant LaFeO₃ perovskite phase, with ZnFe₂O₄ and La₂O₃ as secondary phases. SEM analysis showed agglomerated grains with an irregular morphology. Electrochemical characterization at room temperature and a discharge rate of C/10 (full charge in 10 h) revealed a maximum discharge capacity of 106 mAhg⁻¹. Although La³⁺ doping modified the microstructure and slowed the activation process, the electrode exhibited stable cycling with moderate polarization behavior. The decrease in capacity during cycling is due mainly to higher internal resistance. These results highlight the potential and limitations of La-doped spinel ferrites as alternative negative electrodes for Ni-MH systems. Full article

High-temperature adsorption is a promising technology for carbon mitigation, and it can be applied in direct carbon capture and the integration with utilization. Lithium-based adsorbents, known for their high CO₂ uptake and rapid kinetics, have garnered significant interest. However, adsorption performance, cycling stability, and degradation behavior of this type of adsorbent are rarely reported and compared under comparable conditions. In this work, nine lithium-based adsorbents were synthesized and characterized for their physicochemical properties. Dynamic and isothermal thermogravimetric analysis were conducted to determine adsorption/desorption equilibrium temperatures, evaluate CO₂ adsorption characteristics under varying thermal conditions, and assess cycling stability over 20 adsorption–desorption cycles. The results reveal exceptional initial CO₂ capacities for α-Li₅AlO₄, Li₅GaO₄, Li₅FeO₄, and Li₆ZnO₄; however, these values decline to 30.2 wt.%, 24.3 wt.%, 41.6 wt.%, and 44.2 wt.% after cycling. In contrast, Li₂CuO₂ and Li₄SiO₄ exhibit lower initial capacities but possess superior cycling stability with final values of 21 wt.% and 21.6 wt.%. Phase composition and microstructural analysis identify lithium carbonate and metal oxides as primary products, and microstructural sintering was observed during cycling. This study could provide insights into the trade-offs between the initial capacity and cycling stability of lithium-based adsorbents, offering guidelines for adsorbent optimization through doping or pore engineering to advance high-temperature CO₂ capture technologies. Full article

Both tungsten trioxide (WO₃) nanosheet arrays and tungsten trioxide/zinc oxide (WO₃/ZnO) nanocomposites were grown on fluorine-doped tin oxide (FTO) coated glass slides using a hydrothermal method to develop a visible-light-driven photocatalyst with easy reusability. Field emission scanning electron microscopy (FE-SEM) observations confirmed the formation of irregular oxide nanosheet arrays on the FTO surfaces. X-ray diffraction (XRD) analysis revealed the presence of hexagonal WO₃ and wurtzite ZnO crystal phases. UV-Vis diffuse reflectance spectroscopy showed that integrating ZnO nanostructures with WO₃ nanosheets resulted in a blue shift of the absorption edge and a reduced absorption capacity in the visible-light region. Photoluminescence (PL) spectra indicated that the WO 0.5/ZnO 2.0 sample exhibited the lowest electron-hole recombination rate among the WO₃/ZnO nanocomposite sample. Photocatalytic degradation tests demonstrated that all WO₃/ZnO nanocomposite samples had higher photodegradation rates for a 10 ppm methylene blue (MB) aqueous solution under visible-light irradiation compared to pristine WO₃ nanosheet arrays. Among them, the WO 0.5/ZnO 2.0 sample showed the highest photocatalytic efficiency. Furthermore, it exhibited excellent recyclability and high photodegradation stability over three cycles. Full article

Polycrystalline nickel–zinc (NiZn) ferrites are widely used in high-frequency applications due to their excellent magnetic properties such as low power losses, high magnetic permeability, and adequate saturation induction. However, data on their power loss behavior at 10 MHz, particularly at elevated temperatures, remain limited in the literature. This study investigates the magnetic performance of Co-doped NiZn ferrites at 10 MHz, under varying induction fields (3–10 mT) and temperatures (20–120 °C), with a focus on reducing high-temperature losses. Ferrite samples were synthesized using the conventional mixed oxide method and systematically varied in composition (Fe, Co content and Ni/Zn molar ratio). Key findings reveal that the incorporation of cobalt significantly enhances high-temperature performance by shifting resonance frequencies, attributed to increased domain wall pinning. Samples with optimized compositions and processing demonstrated power losses at 10 MHz, 10 mT and 25 °C, 100 °C and 120 °C as low as 310 mW cm⁻³, 1233 mW cm⁻³ and 1400 mW cm⁻³, respectively, with relative initial permeabilities exceeding 80 at these temperatures. These results provide insights into the design of high-frequency magnetic components and highlight strategies to minimize high-temperature losses. Full article

Recently, significant effort has been devoted to enhancing magnetic anisotropy energy (MAE) and the Dzyaloshinskii–Moriya interaction (DMI) in two-dimensional (2D) ferromagnetic materials through various tuning approaches. Among these methods, defect engineering is one of the most effective strategies. However, the influence of these charged defects on the MAE and DMI is unclear. Therefore, we systematically investigate the defect effect on the MAE and DMI of I vacancy-doped (v_I-CrI₃), 3d-transition-metal-doped (TM = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, and Zn) (3d-TM_i@CrI₃), and v_I-TM co-doped (3d-TM_i@v_I-CrI₃) monolayer CrI₃ using first-principles calculations. Our results indicate that Cr-rich conditions can promote the defect formation of v_I-CrI₃, 3d-TM_i@CrI₃, and 3d-TM_i@v_I-CrI₃ systems and demonstrate that 49 types of charged systems are stable. Among these systems, the Cu_i@v_I-CrI₃ in the +1 charge state (Cu_i^•@v_I-CrI₃) system has a smaller defect formation energy, exhibiting a large MAE exceeding 30 meV, and the ratio (D/J) of the antisymmetric magnetic exchange parameter (D) to the Heisenberg exchange parameter (J) reaches 1.04. The large MAE originates from the transition from single-ion anisotropy (SIA) to covalent interaction anisotropy (CIA) due to the coupling variation between the p_y and p_x orbitals of I atoms near the Fermi level caused by charge states. The enhancement of the DMI is due to the electrostatic potential differences between the I-top and I-bottom layers, which are conducive to forming stable chiral spin textures. This study provides insight into the defect charge state modulating the magnetism of 2D magnetic materials. Full article

This study explores the photocatalytic efficiency of Zn/Fe/TiO₂ catalysts, synthesized via the wet impregnation method, for degrading the food colorings Allura Red and Tartrazine Yellow. A 2² factorial design with a central point replication guided the catalyst synthesis. Characterization involved BET surface area analysis, SEM-EDX, XRD, and PZC determination. Photocatalytic tests were conducted in batch mode under natural sunlight with 10 mg L⁻¹ food coloring solutions. Kinetic modeling and statistical analysis were performed, and catalyst reuse was evaluated under artificial light. Results showed that low calcination temperatures (200–273 °C) and Zn loadings of 2–10% led to nearly 99% discoloration and degradation efficiency. The Behnajady–Modirshahla–Ghanbery kinetic model best described the discoloration data, confirming the significant impact of both variables. The optimal catalyst for Allura Red degradation was 2%Zn/2%Fe/TiO₂ calcined at 200 °C, while for Tartrazine Yellow, 6%Zn/2%Fe/TiO₂ calcined at 300 °C was most effective. Both catalysts exhibited excellent stability, maintaining efficiency over four reuse cycles. These findings demonstrate the potential of Zn/Fe/TiO₂ catalysts for sustainable wastewater treatment. Full article

Amorphous carbon and its heteroatom-doped derivatives often exhibit wrinkled, defective, porous structures, and find wide applications in the fields of energy storage and catalysis. To date, although many methods for preparing doped carbon materials have been reported, the preparation process is relatively complex, and there are still few simple methods available. Therefore, it is necessary to further develop simple and feasible preparation methods. In this study, we employed commercially available manganese disodium ethylenediaminetetraacetate (EDTA-Na₂Mn, serving as both carbon and nitrogen sources) as the precursor. Through thermal decomposition under a nitrogen atmosphere, a nitrogen-doped carbon composite embedded with manganese monoxide (MnO) was initially obtained. Subsequently, hydrochloric acid etching was applied to remove the MnO phases, yielding the final product: nitrogen-doped carbon, denoted as C-N-Mn. Notably, the carbonization and nitrogen-doping processes were simultaneously accomplished during pyrolysis, thereby streamlining the synthesis route for nitrogen-doped carbons. To demonstrate the versatility of this approach, we extended the methodology to two additional metal–organic salts (EDTA-Na₂Zn and EDTA-NaFe), successfully synthesizing nitrogen-doped carbon materials (C-N-Zn and C-M-Fe) in both cases. The phase composition, morphology, microstructure, specific surface area, and pore volume of the products were systematically characterized using X-ray diffraction (XRD), scanning/transmission electron microscopy (SEM/TEM), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and nitrogen adsorption/desorption analysis. These nitrogen-doped carbons exhibit high specific surface areas and tunable pore volumes, suggesting their potential applicability in energy storage systems. Full article

1-butanethiol, a volatile mercaptan that is harmful and has a persistent odor, was adsorbed from a gaseous stream onto granulated activated carbon (AC) that was doped with Cu, Fe, and Zn oxides. The adsorbents were prepared by precipitating salts of the respective metals using an ammonia solution, along with the inclusion of an anti-caking agent known as Pluronic-123. Characterization of the three prepared adsorbents was conducted using electron microscopy (SEM), textural analysis, thermogravimetric analysis, FTIR, and XRD. The study’s results indicate that the adsorbents exhibit different textural characteristics and variations in the size and shape of the metal oxide clusters deposited on the activated carbon. These differences also led to variations in the adsorption capacity for 1-butanethiol among the three adsorbents. Full article

The continuous discovery of novel effective antibacterial agents using nano-based materials is of high significance. In this study, we utilized Polymerylated divalent-metal-doped ferrite nanoparticles (PMFe₂O₄ NPs) and studied their antibacterial inhibition effects. Different panels of PVP- and PEG-coated metal-doped MFe₂O₄ (M ≅ Co, Ni, and Zn) were prepared via the Ko-precipitation Hydrolytic Basic (KHB) methodology and thoroughly analyzed using TEM, XRD, FTIR, and VSM. The as-synthesized doped ferrites displayed stable quasi-spherical particles (7–15 nm in size), well-ordered crystalline cubic spinel phases, and high-saturation magnetizations reaching up to 68 emu/g. The antibacterial efficacy of the doped ferrites was then assessed against a Gram-negative E. coli bacterial strain. The results demonstrated that both metal doping and polymer functionalization influence the antimicrobial efficacies and performance of the ferrite NPs. The presence of the PVP polymer along with the divalent metal ions, particularly Co and Ni, resulted in the highest antibacterial inhibition and effective inactivation of the bacterial cells. The antibacterial performance was as follows: PVP-CoFe₂O₄ > PVP-NiFe₂O₄ > PVP-ZnFe₂O₄. Lastly, cell viability assays conducted on human breast fibroblast (HBF) cells confirmed the good safety profiles of the doped ferrites. These interesting results demonstrate the distinctive inhibitory features of the biocompatible metal-doped ferrites in enhancing bacterial killing and highlights their promising potential as effective antimicrobial agents, with possible applications in areas such as water disinfection, biomedical devices, and antimicrobial coatings. Full article

From the lanthanide group, part of the rare earth elements (REEs), lanthanum is one of the most important elements given its application potential. Although it does not have severe toxicity to the environment, its increased usage in advanced technologies and medical fields and scarce natural reserves point to the necessity also of recovering lanthanum from diluted solutions. Among the multiple methods for separation and purification, adsorption has been recognized as one of the most promising because of its simplicity, high efficiency, and large-scale availability. In this study, a xerogel based on silicon and iron oxides doped with zinc oxide and polymer (SiO₂@Fe₂O₃@ZnO) (SFZ), obtained by the sol–gel method, was considered as an adsorbent material. Micrography indicates the existence of particles with irregular geometric shapes and sizes between 16 μm and 45 μm. Atomic force microscopy (AFM) reveals the presence of dimples on the top of the material. The specific surface area of the material, calculated by the Brunauer–Emmet–Teller (BET) method, indicates a value of 53 m²/g, with C constant at a value of 48. In addition, the Point of Zero Charge (pH_pZc) of the material was determined to be 6.7. To establish the specific parameters of the La(III) adsorption process, static studies were performed. Based on experimental data, kinetic, thermodynamic, and equilibrium studies, the mechanism of the adsorption process was established. The maximum adsorption capacity was 6.7 mg/g, at a solid/liquid ratio = 0.1 g:25 mL, 4 < pH < 6, 298 K, after a contact time of 90 min. From a thermodynamic point of view, the adsorption process is spontaneous, endothermic, and occurs at the adsorbent–adsorbate interface. The Sips model is the most suitable for describing the observed adsorption process, indicating a complex interaction between La(III) ions and the adsorbent material. The material can be reused as an adsorbent material, having a regeneration capacity of more than 90% after the first cycle of regeneration. The material was reused 3 times with considerable efficiency. Full article

The reasonable design of low-cost, high-activity single-atom catalysts (SACs) is crucial for achieving highly efficient electrochemical CO₂RR. In this study, we systematically explore, using density functional theory (DFT), the performance of transition metal (TM = Mn, Fe, Co, Ni, Cu, Zn)-doped defect-type hexagonal boron nitride (h-BN) SACs TM@B₋₁N (B vacancy) and TM@BN₋₁ (N vacancy) in both CO₂RR and the hydrogen evolution reaction (HER). Integrated crystal orbital Hamiltonian population (ICOHP) analysis reveals that these catalysts weaken the sp orbital hybridization of CO₂, which promotes the formation of radical-state intermediates and significantly reduces the energy barrier for the hydrogenation reaction. Therefore, these theoretical calculations indicate that the Mn, Fe, Co@B₋₁N, and Co@BN₋₁ systems demonstrate excellent CO₂ chemical adsorption properties. In the CO₂RR pathway, Mn@B₋₁N exhibits the lowest limiting potential (U_L = −0.524 V), and its higher d-band center (−0.334 eV), which aligns optimally with the adsorbate orbitals, highlights its excellent catalytic activity. Notably, Co@BN₋₁ exhibits the highest activity in HER, while U_L is −0.217 V. Furthermore, comparative analysis reveals that Mn@B₋₁N shows 16.4 times higher selectivity for CO₂RR than for HER. This study provides a theoretical framework for designing bifunctional SACs with selective reaction pathways. Mn@B₋₁N shows considerable potential for selective CO₂ conversion, while Co@BN₋₁ demonstrates promising prospects for efficient hydrogen production. Full article