ADVANCES IN ENERGY AND MATERIALS RESEARCH
Year:2024 | Volume:1 | Issue:3|Papers Count:6

Fluorenone has attracted significant interest in nanoelectronics due to its promising electronic properties. This study investigates the effects of an electric field on fluorenone to evaluate its suitability for nanoelectronic applications using density functional theory (DFT) and Landauer theory. The electronic properties of fluorenone, including the energy gap, dipole moment, electron spatial extent (ESE), cohesive energy, and current-voltage characteristics, were systematically analyzed under varying electric field strengths. Results show that while cohesive energy and bond lengths remain largely unaffected, the energy gap decreases significantly with increasing electric field strength. Additionally, the dipole moment and ESE distribution increase substantially. The current-voltage profile exhibits a sharp rise in current with increasing field intensity, underscoring fluorenone’s potential as a strong material for field-effect molecular devices, such as molecular wires. These findings highlight fluorenone’s sensitivity to external electric fields, supporting its viability for advancing nanoelectronic technologies. This study provides critical insights into the tunability of fluorenone’s electronic properties, paving the way for its integration into next-generation nanoscale electronic systems.

This study evaluates the effectiveness of natural adsorbents in removing water pollutants. Natural heulandite zeolite from Qom mines was sampled, prepared, and tested for the removal of methylene blue (MB) and methyl orange (MO) dyes from aqueous solutions. The zeolite was characterized using XRD, XRF, and ICP analyses, confirming its composition as Ca₁.₂₃(Al₂Si₇)O₁₈·6H₂O (or CaAl₂Si₇O₁₈·6H₂O), with heulandite as the primary component. The dye removal efficiency was measured via UV-Vis spectroscopy at wavelengths of 665.0 nm (MB) and 465.0 nm (MO). Results demonstrated removal efficiencies of 100% for MB (a cationic dye) and 43.7% for MO. The near-complete adsorption of MB suggests that heulandite zeolite is highly effective for cationic dye removal, potentially reducing energy consumption in water purification processes.

Perovskite solar cells (PSCs) have garnered significant attention due to their high efficiency and low-cost fabrication. However, their stability under environmental conditions, particularly UV exposure, remains a critical challenge. In this study, we address this issue by introducing a mesoporous TiO2 templated film coated on the glass side of the FTO substrate, serving as both a UV absorber and a self-cleaning layer. The TiO2 film was synthesized via a dip-coating method using a p123 copolymer as a template agent, resulting in a highly transparent and mesoporous structure. The self-cleaning properties of the film were evaluated through the degradation of Congo red dye under optimized conditions, including pH, dye concentration, and film thickness. The TiO2 film demonstrated excellent photocatalytic activity and effectively degraded organic pollutants under UV irradiation, which highlights its potential for real-world applications. Furthermore, incorporating this film on the glass side of the carbon-based perovskite solar cells significantly improved their stability. This work presents a promising approach to enhancing the durability and performance of PSCs by integrating multifunctional TiO2 films, paving the way for more robust and sustainable solar energy technologies.

Dy2Ce2O7 nanopowders were synthesized for the first time via solid-state reactions using Ce(NO3)3·6H2O and Dy2O3 as raw materials in a stoichiometric 1:1 Ce:Dy molar ratio. The synthesized materials were characterized by powder X-ray diffraction (PXRD). Structural analysis, performed using the FullProf program with profile matching and constant scale factors, confirmed a predominant cubic Dy2Ce2O7 structure with the Fd-3m space group. Field-emission scanning electron microscopy (FESEM) revealed that the Dy2Ce2O7 particles exhibited uniform spherical morphologies. Ultraviolet-visible (UV-Vis) spectroscopy demonstrated strong light absorption in the UV-visible region. The direct optical band gaps for samples S1, S2, S3, and S4 were determined to be 2.7 eV, 2.6 eV, 2.5 eV, and 2.4 eV, respectively.

In this study, the electrochemical oxidation of glycerol was investigated using a nickel-based metal-organic framework (Ni-MOF)/multiwall carbon nanotube (CNT) composite electrode. The surface morphology of the composite electrode was characterized by scanning electron microscopy (SEM). Cyclic voltammetry was employed to assess the electrocatalytic performance for glycerol oxidation, while chronoamperometry was used to evaluate electrode stability via current-time curves. The electrochemical performance of the Ni-MOF was compared before and after compositing with CNTs. The results demonstrate that the Ni-MOF/CNT composite electrode exhibits enhanced electrocatalytic activity for glycerol oxidation, attributed to the synergistic effects of the CNTs’ high electrical conductivity and large surface area and the Ni-MOF’s high electrocatalytic activity and porous structure. These properties make the composite a promising material for glycerol fuel cell applications.

This research investigates the synthesis and characterization of MCM-41 molecular sieves functionalized with 3-aminopropyltriethoxysilane (APTES) to evaluate their efficacy in adsorbing heavy metal ions, such as Cd(II) and Pb(II), from aqueous solutions. Amine-modified MCM-41 samples with 3, 5, 8, and 15 wt% APTES were synthesized via a co-condensation method using cetyltrimethylammonium bromide (CTAB) as the template, APTES for functionalization, and tetraethyl orthosilicate (TEOS) as the silica precursor. The adsorbents were characterized using X-ray diffraction (XRD), nitrogen adsorption-desorption isotherms (BET), thermogravimetric analysis (TG-DTG), Fourier-transform infrared spectroscopy (FT-IR), and transmission electron microscopy (TEM). Batch adsorption experiments assessed the effects of initial metal ion concentration, solution pH, adsorbent dosage, and temperature. All NH2-MCM-41 variants exhibited higher adsorption capacities for Cd(II) and Pb(II) than unmodified MCM-41, with performance varying by amine loading. The enhanced adsorption was attributed to amine groups on the pore surfaces and external surfaces of the mesoporous silica. For the optimized adsorbent (5 wt% NH2-MCM-41), maximum adsorption efficiencies were 89.1% for Cd(II) at pH 5.0–6.0 and 95.3% for Pb(II) at pH 3.0–3.5, with precipitation effects considered negligible under these conditions. Adsorption isotherms conformed to the Langmuir model, indicating monolayer adsorption. Kinetic studies revealed that adsorption followed the pseudo-second-order model for both Cd(II) and Pb(II).