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37 articles for “Optical Band gap”
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Computational Modeling of Polymer Semiconductors for Electronic Applications
Abstract: Polymer semiconductors have become important materials in modern electronic applications because they combine semiconducting behavior with mechanical flexibility, low-cost processing, and tunable molecular structure. Their growing use in organic field-effect transistors, organic photovoltaics, organic light-emitting diodes, and flexible sensing devices has increased the need for accurate computational approaches that can predict material properties and device performance before experimental fabrication. This paper reviews the major computational modeling techniques used for polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 132–146 Read article
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Structural, Electronic and Optical Properties of ZnO Material Using First Principle Calculation
Abstract: Structural, electronic and optical properties have been determined by using first principle calculation for ZnO material. In present study, full potential linearized augmented plane wave method has been selected with generalised gradient approximation executed in WIEN2k. Structure of ZnO material stabilises in the Wurtzite form of hexagonal closed packed crystal with lattice constant a=3.289Å, c= 5.307Å. Density of states and band structure diagram of ZnO material shows semiconductor nature with …
Published in Journal of Polymer & Composites · Vol. 11, Issue 5, 2023 · pp. 27–34 Read article
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Growth, Structural and Optical characteristics of Citric Acid Doped Copper Sulphate Single Crystals Polymer Composites Photonic Applications
Abstract: The organic material Citric Acid doped Copper Sulphate single crystals (CACS) was synthesized and single crystal was grown by slow evaporation method. The incorporation of citric acid, an organic compound, introduces polymer-like functional behavior into the crystal matrix, forming an organic-inorganic hybrid composite with enhanced optical and structural characteristics. Single crystal XRD confirmed the triclinic system with unit cell parameters: a = 5.96 Å, b = 6.11 Å, c = …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 482–488 Read article
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Heat Transfer Performance of ZnO- Ethylene Glycol- Water Nanofluid Using Thermal Lens Technique
Abstract: Nanofluids are engineered fluids used in advanced electronic systems for thermal management. Fluids with dispersed nanoparticles have exhibited remarkable thermal properties. Ethylene glycol (EG) and water mixtures are widely used in many industrial areas. This study investigates the synthesis and heat transfer performance of ZnO-EG, ZnO-water, and ZnO-EG-water nanofluids using a dual-beam thermal lens technique. ZnO is a widely used inorganic, UV-absorbing, multifunctional semiconducting material with applications in various fields …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 440–445 Read article
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Comparative Study of Structural and Optical Properties of Bismuth Ferrite Nanoparticles for Photovoltaic Applications Synthesized via Different Sol-Gel Methods
Abstract: Pure multiferroic bismuth ferrite (BiFeO3) nanoparticles were successfully synthesized using an energy-efficient, low-temperature sol-gel method, comparing two distinct approaches: auto-combustion and non-auto-combustion. To ensure phase stability, the precursor solution's pH was strictly maintained between 1 and 2 using ammonia solution (NH4OH), while ethylene glycol (C2H6O2) was employed as a chelating agent for the Fe3+ and Bi3+ cations. All samples underwent a final annealing process at 500 °C to promote crystallization. …
Published in Journal of Materials & Metallurgical Engineering · Vol. 16, Issue 1, 2026 · pp. 83–94 Read article
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Properties of ZnO Thin Film deposited on Flexible Substrate using RF Sputtering
Abstract: Semiconductor materials demand is increased in recent years, due to new emerging technologies. There is need to find the alternate for silicon in electronics industry, as silicon is brittle in nature and has low efficiency, which makes it unsuitable for transparent and flexible device. Zinc oxide (ZnO) is emerging as popular choice of researchers due to its wide range of properties, abundancy and non-toxicity. This work explores the properties of …
Published in Journal of Polymer & Composites · Vol. 12, Issue 4, 2024 · pp. 50–56 Read article
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Synthesis and Characterization of VO 2+ doped SrMg 2 (PO 4 ) 2 Nanopowder by Solid State Reaction technique suitable for White LED material
Abstract: VO2+ doped SrMg2(PO4)2 nanopowder was synthesized by using solid state reaction (SSR) technique. Various experimental techniques have been performed on prepared sample. XRD analysis has revealed that prepared nanopowder is in monoclinic phase. The average crystallite size, micro strain and dislocation density evaluated and make an analogy with W-H plot method. SEM micrographs shows that agglomerated stone like structure and EDS spectrum shows elemental compositions of synthesized sample. FTIR spectrum …
Published in Journal of Polymer & Composites · Vol. 12, Issue 4, 2024 · pp. 95–110 Read article
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Investigation of Electro-optical Characteristic and Structure Optimization of PMMA: Bepq2/BCP/Tpbi Blue Highly Efficient OLED Device
Abstract: In this Investigation, the energy level structure of the Spiro-MeOTAD/PMMA: Bepq2/BCP/Tpbi/LiF OLED has been investigated to explain the method of electron-hole charge carrier pair recombination and the light generation. The Maxwell-Boltzmann statistics model was applied to optimize the structure to reduce the band gap between conductive layers. We found the simulated results J–V, J-Illumination flux, and Current Efficiency (CE) characteristics when we applied forward bias. Inconclusive results determined the threshold …
Published in Journal of Polymer & Composites · Vol. 11, Issue 5, 2023 · pp. 56–68 Read article
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Comparative Study of Structural, Optical, Morphological, and Magnetic Properties of BifeO3 Nanoparticles Synthesized Via Green and Chemical Methods
Abstract: BiFeO3 nanoparticles were synthesized via a green route using Strychnos nux-vomica leaf extract and a conventional chemical sol–gel method to study the effect of synthesis routes on their properties. XRD analysis confirmed phase-pure rhombohedral BiFeO3 for both samples. FTIR analysis was carried out to confirm the formation of the perovskite structure and to detect surface functional groups. FESEM analysis indicated a significant effect of phytochemicals in controlling particle growth and …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 16, Issue 1, 2026 · pp. 1–8 Read article
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Preparation and Characterization of PVA-MgO Nanocomposite Films
Abstract: In this work, Magnesium Oxide Nanoparticles (MgO NPs) doped with 3 g of polyvinyl alcohol (PVA) at different weight percentages (0, 2, 4, 6, and 8 wt.%) using the solvent casting method, to fabricate thin PVA-MgO nanocomposite (NC) films. These films were characterized by (i) XRD, SEM, EDX, DLS, and Zeta Potential for morphological studies, (ii) FTIR spectra and UV-Visible techniques for spectroscopic studies and (iii) DSC for thermal studies. …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 27, Issue 2, 2025 · pp. 40–62 Read article
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Optical Along with Magnetic Properties of Doped Nano-Structured Mos2 Nano-Films by Spin Coating
Abstract: The supernatant containing 2D nano-flakes of Molybdenum di-sulphide (MoS2) are synthesized and collected using wet chemical synthesis process. The dispersed MoS2 nano-flakes solution is having strong absorbance values at 627 nm and 690 nm conforming to an energy band gap BG of 1.79 eV and 1.98 eV. Thereafter, MoS2 thin films with and without magnetic doping (cobalt) are deposited on n type silicon by spin coating technique. These samples are …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 297–302 Read article
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DFT/Data Guided Predictive Modelling of Absorption Maxima in the OLED Rubrene Derivatives
Abstract: This study investigates the optical properties of rubrene derivatives to develop an accurate predictive model for absorption maxima using computational chemistry and chemoinformatic techniques. We benchmarked various quantum chemical methods, identifying that the M06-2X/aug-cc-pVDZ method in dichloromethane (DCM) provided the strongest correlation with experimental data. Key molecular descriptors such as band gap, ionization potential, and electrophilicity index were calculated and analyzed using principal component analysis (PCA) to identify significant factors …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 41–56 Read article
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Enhancement of Gas Sensitivity of Composites of Carbon Derived from Rubber Tree and SnO2 to Detect Ethanol Vapor at Room Temperature
Abstract: Films of composites of activated carbon powder prepared from saw dust derived from core of rubber tree (Hevea Brasiliensis) and tin oxide (SnO2) were fabricated using the doctor blade method. Carbon powder was activated using phosphoric acid at 500°C for 45 minutes. The weight ratio carbon/SnO2 varied from 0 to 12% in steps of 2. The structural, optical and morphological properties of films were investigated using XRD patterns, UV-visible spectrums …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 12, Issue 2, 2025 · pp. 31–44 Read article
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Structural, Electrical and Optical Properties of RGO-Incorporated PVA Nanocomposites for UV Shielding Applications
Abstract: Polymer matrix-based nanocomposites reinforced with appropriate nanoparticles have the potential to exhibit improved electrical, optical and mechanical properties, as well as improved UV-shielding capabilities. These materials are currently being utilised for various commercial applications, such as window shields and automotive components. We prepared reduced graphene oxide (rGO)-incorporated polyvinyl alcohol (PVA) polymer nanocomposites employing a solution casting method. XRD and SEM results confirmed that the rGO nanosheets were dispersed well in …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 119–137 Read article
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Facile Synthesis and Characterization of Cd²⁺ Doped NiAl₂O₄ Nanoparticles for Advanced Polymer Composite Integration
Abstract: Ni1-xCdxAl2O4, where 0 ≤ x ≤ 0.5, was successfully synthesized using the chemical co-precipitation technique, a scalable and cost-effective route suitable for composite material applications. X-ray diffraction (XRD) analysis revealed a crystalline cubic spinel structure for the resulting nanoparticles, with determined crystallite sizes ranging from 36 to 12 nm for NiAl2O4 and Cd-doped NiAl2O4. The respective band gaps for the materials were found to be 3.51 and 4.18 eV. Infrared …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 59–72 Read article
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Synthesis and Functional Group Analysis of Solution Processed Zinc Oxide Thin Film Grown on Polyethylene Terephthalate
Abstract: Flexible electronics field is growing every day. Existing technology is facing issues like brittleness, toxicity, inadequacy. Fabrication cost increases in processing of such materials. In this work, zinc oxide nanoparticles synthesized by solution processing technique were used to grow 120nm thick thin film (TF) on Polyethylene terephthalate (PET). This method reduces the processing cost and Zinc Oxide (ZnO) is cheaper and abundant in comparison to other semiconductors option. Material was …
Published in Journal of Polymer & Composites · Vol. 12, Issue 3, 2024 · pp. 56–66 Read article
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A Review on Kaempferol Eye Drops for the Glaucoma Treatment
Abstract: One of the main causes of permanent blindness, glaucoma is defined by gradual damage to the optic nerve, mostly brought on by oxidative stress, neuroinflammation, and high intraocular pressure (IOP). The investigation of herbal alternatives is necessary since current synthetic therapies, such as beta-blockers and prostaglandin analogs, frequently result in ocular discomfort, systemic toxicity, and poor patient compliance. Clitoria ternatea contains kaempferol, a bioactive flavonoid that has shown anti-inflammatory, antioxidant, …
Published in Trends in Drug Delivery · Vol. 12, Issue 2, 2025 · pp. 110–121 Read article