https://jaem.qom.ac.ir/ Advances in Energy and Materials Research en daily 1 Sun, 01 Jun 2025 00:00:00 +0330 Sun, 01 Jun 2025 00:00:00 +0330 https://jaem.qom.ac.ir/article_4573.html Coordination compounds and, more broadly, metal-organic materials have become central to modern chemistry because of their structural tunability, modular synthesis, and broad functional applications. The reviewed paper provides a clear foundation by explaining the nature of the coordinate bond, the role of ligands, coordination number, geometry, stability, and reactivity. These principles are directly relevant to the design of metal-organic frameworks and related materials for energy storage, gas separation, catalysis, sensing, and biomedical applications. In particular, the ability to combine metal nodes with organic linkers in a predictable way has enabled the creation of porous, crystalline architectures with high surface area and adjustable pore environments. Such features make these materials especially promising for hydrogen storage, carbon capture, methane adsorption, batteries, and electrocatalysis. The recent Nobel Prize recognition of Omar Yaghi further highlights the global importance of reticular chemistry and metal-organic frameworks as a transformative platform in materials science. This mini-review summarizes the key concepts from the reference review and extends them to emphasize the importance of metal-organic compounds in energy and advanced materials. https://jaem.qom.ac.ir/article_4574.html CexCd1–xS (0 ≤ x ≤ 0.08) nanoparticles with varying cerium doping levels were successfully synthesized via a hydrothermal method. The structural, morphological, compositional, and optical properties of the prepared samples were systematically characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray photoelectron spectroscopy (XPS), and UV–Vis diffuse reflectance spectroscopy (DRS). The photocatalytic activity of pure and Ce-doped CdS nanoparticles was evaluated through the visible-light-driven decolorization of Reactive Blue 19 in aqueous solution. Among the investigated compositions, the sample containing 6% Ce exhibited the highest photocatalytic efficiency compared to other dopant concentrations. The effects of key operational parameters—including cerium content, catalyst dosage, initial dye concentration, and the presence of radical scavengers—were systematically examined. The addition of radical scavengers such as iodide, carbonate, sulfite, and 1,4-benzoquinone significantly suppressed the decolorization efficiency, indicating the crucial role of reactive species in the degradation process. Overall, the results demonstrate that Ce-doped CdS nanoparticles, particularly at an optimal doping level of 6%, exhibit enhanced visible-light photocatalytic performance and promising reusability, highlighting their potential application in the removal of organic pollutants from wastewater. https://jaem.qom.ac.ir/article_4365.html This study reports the synthesis and comprehensive structural characterization of three novel heterodinuclear complexes, [CuL{HgCl2(CH3OH)}] (1), [CuL{HgBr2}] (2) and [CuL{HgI2}] (3). These complexes were generated through the reaction of HgX2 salts (X- = Cl-, Br- and I-) with a copper(II) Schiff base complex, (where H2L = N,N′-bis(2-hydroxyphenylidene)-2,2′-dimethyl-1,3-propanediamine).The resulting compounds were characterized using elemental analysis, IR spectroscopy, and single-crystal X-ray diffraction. The structural analyses consistently revealed the formation of a heterodinuclear [CuIIHgII] core in all three species, with the central Cu(II) and Hg(II) ions bridged by the two phenolate oxygen atoms of the L ligand. The coordination geometry around the Cu(II) center in all complexes is a distorted square planar (CuN2O2). In contrast, the coordination geometry of the Hg(II) ion is dependent on the coordinated halide: it adopts a distorted square pyramidal (HgO3Cl2) geometry in complex 1 (including a coordinated methanol molecule), but a tetrahedral (HgO2Br2 or HgO2I2) geometry in complexes 2 and 3, respectively. Supplementary crystallographic data for the three structures are registered with the CCDC as 1432472, 1432473, and 1432474.The halide-dependent structural variation in the Hg(II) environment provides valuable insight for designing functional coordination materials. The robust Cu–Hg core and tunable electronic features highlight these complexes as potential precursors for optical, sensing, and environmental remediation materials within the broader field of energy and materials research. https://jaem.qom.ac.ir/article_4366.html Abstract: Fluorenone has garnered significant attention in nanoelectronics due to its promising electronic properties. This study investigates the effect of an electric field on fluorenone to assess its suitability for nanoelectronic applications using density functional theory (DFT) and Landauer theory (LT). The electronic properties of fluorenone were systematically analyzed under varying electric field strengths, focusing on the energy gap, dipole moment, electron spatial extent (ESE), cohesive energy, and current-voltage characteristics. Results reveal that while cohesive energy and bond length remain largely unaffected, the energy gap decreases notably under an applied electric field. Additionally, both the dipole moment and ESE distribution exhibit significant increases. The current-voltage profile demonstrates a sharp rise in current with increasing field intensity, emphasizing fluorenone’s potential as a strong candidate 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. The study provides critical insights into the tunability of fluorenone’s electronic properties, paving the way for its integration into next-generation nanoscale electronic systems. https://jaem.qom.ac.ir/article_4370.html Induction heating is a key technology in Czochralski crystal growth systems, where precise control of the thermal field inside the crucible is essential for achieving high crystal quality. While the influence of parameters such as excitation frequency, coil geometry, and input power has been widely investigated, the effect of the electrical conductivity of the induction coil has received comparatively little attention. In this study, the impact of induction coil electrical conductivity on heat generation, spatial heat distribution, and heating efficiency in an induction-heated Czochralski system is systematically investigated using a coupled electromagnetic numerical model. The governing Maxwell equations are formulated under axisymmetric and harmonic steady-state assumptions and solved using the finite element method. The electrical conductivity of the induction coil is varied over several orders of magnitude, while the crucible material properties are kept constant. The results demonstrate that increasing the coil conductivity significantly enhances the total heat generated within the crucible, improves the uniformity of heat distribution, and substantially reduces ohmic losses within the coil. A saturation-like behavior is observed at high conductivity values, indicating diminishing returns beyond a certain threshold. The heating efficiency of the system increases dramatically from only a few percent at low conductivities to values exceeding 90% at high conductivities. These findings highlight the critical role of induction coil electrical conductivity in optimizing energy efficiency and thermal stability in Czochralski crystal growth systems and provide practical guidelines for the design of high-performance induction heating configurations. https://jaem.qom.ac.ir/article_4371.html This work describes a preliminary materials study on the synthesis of magnetic core-shellsynthesis of magnetic core-shell Fe₃O₄@Cu@Cu₂O nanoparticles through a facile two-step approach as a first step toward potential catalytic applications. The Fe₃O₄ core was initially prepared via co-precipitation method, followed by a solvothermal deposition of sequential Cu and Cu₂O layers using Glycerol as both solvent and reducing agent. The structural and morphological characteristics of the synthesized nanoparticles were comprehensively investigated using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and scanning electron microscopy (SEM). XRD analysis confirmed the crystalline phases of Fe₃O₄, metallic Cu, and Cu₂O, demonstrating successful formation of the core-shell structure. SEM images reveal nearly spherical nanoparticles with uniform size distribution ranging between 55-88 nm. Vibrating sample magnetometry (VSM) measurements exhibited superparamagnetic behavior with saturation magnetization of 60 emu/g, sufficient for efficient magnetic separation using an external magnet while maintaining catalytic accessibility. The unique architecture of these nanoparticles, combining magnetic responsiveness with catalytic active sites, suggests their potential as candidates for magnetically recoverable catalysts, though catalytic performance evaluation is beyond the scope of this preliminary study. The unique architecture suggests potential for magnetically recoverable catalysts in various organic transformations, offering significant advantages in terms of reusability and sustainability in terms of reusability and sustainability. The synthesized Fe₃O₄@Cu@Cu₂O nanocomposites demonstrate material properties suitable for further investigation in green chemistry protocols where efficient catalyst recovery and recyclability are crucial requirements. This study is limited to materials characterization and does not include catalytic reaction data. https://jaem.qom.ac.ir/article_4575.html This study evaluates the efficiency of supercritical carbon dioxide (SC-CO₂) combined with n-hexane and ethanol as co-solvents for lipid extraction from Chlorella vulgaris cultivated under stress conditions for biodiesel production. The microalgae were grown using a two-stage cultivation strategy and divided into three groups: control (pre-stress), Treatment 1 (nutrient deprivation, pH 11, and 2 M NaCl for 24 h), and Treatment 2 (nutrient deprivation and 2 M NaCl for 72 h). Extraction was performed at pressures of 250, 300, and 350 bar and temperatures of 50 and 70 °C.The total lipid contents for the control, Treatment 1, and Treatment 2 were 8.78 ± 0.45%, 57.4 ± 0.75%, and 55.3 ± 1.03%, respectively. The highest fatty acid yield (>99%) was achieved at 350 bar and 50 °C across all groups. The biodiesel properties of all samples met ASTM and EN standards. These findings indicate that the combination of stress-induced lipid accumulation and SC-CO₂ extraction represents an efficient strategy for biodiesel production from Chlorella vulgaris. https://jaem.qom.ac.ir/article_4577.html Zinc-ion batteries (ZIBs) have garnered significant research interest due to their inherent safety, cost-effectiveness, and the abundance of raw materials. Among the promising cathode materials, molybdenum disulfide (MoS2), with its distinctive layered structure, has demonstrated substantial potential for Zn2+ ion storage. This study introduces a simple and effective method to engineer the MoS2 layered structure. Through glucose-assisted chemical modification, the structural stability and interlayer ordering of MoS2 are enhanced while fully preserving its original crystalline phase. This modification leads to a notable improvement in electrochemical performance, particularly when paired with an optimized electrolyte. The study underscores the critical role of electrolyte selection in determining battery stability and lifespan. We investigated the performance of a ZIB using a glucose-modified MoS2 cathode in two aqueous electrolytes: 1 M ZnSO4 and 1 M Zn (CF3SO3)2. Comprehensive structural and electrochemical analyses, including XRD, SEM, IR, EDX, CV, EIS, and charge/discharge cycling, were performed. The results show that the Gl-m-MoS2 using the Zn(CF3SO3)2 electrolyte exhibits superior cycling stability and, by the 50th charge/discharge cycle, reaches a capacity of 114.68 mAh g-1 at a current density of 0.1 A g-1, corresponding to a 29.4% decrease. https://jaem.qom.ac.ir/article_4604.html This study investigated the potential of raw and cetyltrimethylammonium bromide (CTAB)-modified Prosopis farcta as a low-cost, environmentally friendly adsorbent for removing imidacloprid from contaminated water. The adsorbents were characterized using FT-IR, FE-SEM, EDS, and BET analyses to evaluate surface functional groups, morphology, elemental composition, and specific surface area. Batch adsorption experiments were conducted to examine the effects of solution pH, initial imidacloprid concentration, and contact time. The optimal adsorption conditions were achieved at neutral pH, an initial imidacloprid concentration of 20 ppm, and a contact time of 150 min. Under these conditions, the modified adsorbent exhibited higher removal efficiency (64.37%) compared to the raw adsorbent (55.67%), demonstrating the positive effect of surface modification. Adsorption equilibrium data were best fitted by the Langmuir isotherm model (R² = 0.9934), indicating monolayer adsorption dominated by physical interactions.Recyclability experiments confirmed that the modified adsorbent retained satisfactory performance over multiple adsorption–desorption cycles. In addition, application to real irrigation water samples verified the practical feasibility of the developed system. Overall, the results indicate that CTAB-modified Prosopis farcta is a promising, sustainable, and cost-effective adsorbent for imidacloprid removal from contaminated water, offering a viable alternative to conventional adsorbents for pesticide remediation. https://jaem.qom.ac.ir/article_4605.html Renewable microgrids are increasingly recognized as effective solutions for enhancing energy resilience, integrating distributed renewable resources, and reducing dependence on fossil fuels. However, the intermittent nature of renewable generation makes the selection of appropriate green energy storage strategies a complex socio-technical decision problem. This study proposes an integrated Critical Systems Heuristics (CSH)–Best-Worst Method (BWM)–TOPSIS framework for prioritizing green energy storage strategies in renewable microgrids. First, CSH was applied to structure the decision problem by identifying stakeholders, boundary judgments, value assumptions, and legitimacy concerns. Based on expert interviews, seven main criteria were extracted: technical and operational performance, economic feasibility, environmental sustainability, safety, risk and resilience, social acceptance and energy justice, institutional and policy compatibility, and scalability and strategic flexibility. Second, BWM was used to determine the relative importance of these criteria. The results showed that technical and operational performance was the most important criterion, followed by economic feasibility and environmental sustainability. Third, TOPSIS was employed to rank seven energy storage alternatives. The findings indicated that lithium-ion batteries achieved the highest priority, followed by flywheel energy storage and pumped hydro storage. The results suggest that effective energy storage selection should not rely solely on technical and economic indicators but should also consider environmental, social, institutional, and ethical dimensions. The proposed framework contributes to transparent, legitimate, and comprehensive decision-making for sustainable microgrid planning. https://jaem.qom.ac.ir/article_4614.html The sustainable development of supercapacitor energy storage systems requires electrode materials that provide not only desirable electrochemical performance but also acceptable economic, environmental, and life-cycle characteristics. This study proposes a life-cycle-informed hybrid multi-criteria decision-making framework for the sustainable selection of supercapacitor electrode materials. The proposed framework integrates the Full Consistency Method (FUCOM), the Method based on the Removal Effects of Criteria (MEREC), and the Measurement of Alternatives and Ranking according to Compromise Solution (MARCOS). FUCOM and MEREC were independently applied to expert judgments and the alternative–criterion decision matrix, respectively. After normalization, the subjective and objective weight vectors were combined through a convex integration coefficient, with α=0.5 used as the base scenario. The resulting hybrid weights were subsequently applied to the original decision matrix within MARCOS to calculate the alternatives’ final utility scores and rankings. The results showed that synthesis cost, raw material availability in Iran, energy consumption during synthesis, specific capacitance, and production scalability were the most influential criteria. Among the investigated alternatives, biomass-derived activated carbon achieved the highest final utility score and was identified as the most sustainable option, followed by MnO₂–carbon composite and conducting polymer–carbon composite. Comparative validation using TOPSIS and CoCoSo confirmed the reliability of the ranking results, and sensitivity analysis demonstrated the stability of the top-ranked alternatives under different weighting scenarios. The findings highlight that high electrochemical performance alone is not sufficient for sustainable material selection and that life-cycle-related criteria should be integrated into electrode material evaluation.