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64 articles for “and electric properties of molecules”
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Organic Solar Cell: It’s future prospect
Abstract: Organic solar cells (OSCs) are emerging as a promising frontier in renewable energy technology, distinguished by their lightweight, flexible composition, cost-effective manufacturing processes, and potential for large-scale deployment. Unlike their silicon-based counterparts, which rely on inorganic materials, OSCs harness organic molecules or polymers to convert sunlight into electricity. Their adaptability in design and production is a key strength, facilitated by the ease with which organic materials can be synthesized and …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 11, Issue 1, 2024 Read article
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Nanocomposites of Polyethylene-Closite 20A: Preparation and Characteristics
Abstract: Low-density polyethylene/closite 20A nanocomposites with different organoclay contents were made in the current study by a melt mixing technique with two different compatibilizers of varying contents: low molecular weight oxidized polyethylene and low molecular weight trimethoxysilyl modified polybutadiene. The inclusion of compatibilizers and concentrations of organoclay were analyzed in relation to the mechanical and thermal properties of the nanocomposites. The dispersibility of the silicate clay in the nanocomposites was investigated …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 15, Issue 1, 2025 · pp. 01–12 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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Generative AI for Designing Sustainable Polymer Composites for Renewable Energy Applications
Abstract: Sustainable polymer composites are increasingly required for renewable energy devices, yet conventional trial-and-error formulation cannot efficiently balance performance, processability, recyclability, and environmental constraints. This study proposes a generative artificial intelligence framework for designing polymer composites for photovoltaic encapsulation, dielectric energy storage, polymer electrolytes, and thermal-management systems. Public polymer-property and composite datasets were curated from open databases and published supplementary records. Chemical descriptors, molecular fingerprints, polymer embeddings, processing variables, and sustainability …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 1232–1257 Read article
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Study of Electrically Conductive Polymer for Antistatic and Sensor Application
Abstract: Electrically conductive polymers (ECPs) are a unique category of smart materials that integrate the mechanical flexibility and ease of processing characteristic of conventional polymers with the electrical conductivity typically associated with metals or semiconductors. In recent years, they have attracted considerable interest due to their promising potential in advanced technological applications, especially in antistatic coatings and electronic sensing devices. The unique ability of these polymers to conduct electricity arises from …
Published in International Journal of Minerals · Vol. 3, Issue 1, 2026 · pp. 46–51 Read article
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Recent Advances in Crystalline Materials
Abstract: Crystalline materials are solids in which atoms, ions, or molecules are arranged in a highly ordered, repeating three-dimensional lattice. This well-defined structure gives rise to unique physical, chemical, electrical, optical, thermal, and mechanical properties, making crystalline materials essential for numerous scientific and industrial applications. Advances in materials science, crystal engineering, and nanotechnology have enabled precise control over crystal size, morphology, composition, and defect structures through innovative synthesis techniques. These developments …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 2, 2026 · pp. 14–21 Read article
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Structural, Mechanical, Electrical and Magnetic Properties of Mn–Zn Substituted Ca-hexaferrites
Abstract: In the present investigation, the samples with chemical composition Ca(CoTi)0.5(MnZn)x/2Fe11–xO19 with (x = 0 to 1.0) have been synthesized using perfect stoichiometric proportions of reacting oxides by standard ceramic technique. The pellets of 15 mm diameter were prepared and sintered at 1313 K in air atmosphere for 106 h and characterized by using XRD and SEM. XRD studies of the samples showed hexagonal magnetoplumbite (M) structure with unit cell dimensions …
Published in Journal of Materials & Metallurgical Engineering · Vol. 1, Issue 1-3, 2011 · pp. 99–111 Read article
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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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Synthesis, Identification and Bio Evaluation of New Thiophene Derivatives
Abstract: Thiophene is considered one of the most effective cyclic sulfur compounds in organic and pharmaceutical chemistry due to its high stability in various chemical reactions. It plays a key role as an antifungal agent in treating skin allergies, as well as in the preparation of polymers, rubber, and other materials. Recent research has focused on incorporating sulfur compounds into the synthesis of organic compounds because of their high stability in …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 32–44 Read article
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Exploring Carbon Nanotubes in Nanotechnology: Functional Properties, Surface Modifications, and Biomedical Innovations
Abstract: Significant progress has been made in nanotechnology in recent years, especially in the creation of sensors with a broad range of uses. Among these, carbon nanotubes (CNTs) are cylindrical structures composed of carbon, with diameters in the nanometer range. CNTs originate from graphite sheets, where the graphite layers resemble a rolled-up, continuous, and robust hexagonal mesh. These hexagons have carbon atoms at their vertices. The fabrication of CNTs typically involves …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 2, Issue 2, 2024 · pp. 24–31 Read article
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Exploration of Diverse Epoxy-Based Surface Coating Methods for Enhancing Anticorrosion Characteristics
Abstract: Epoxy-based polymers, commonly referred to as polyepoxides, constitute one of the most versatile and widely adopted categories of polymeric materials due to their exceptional structural, mechanical, and chemical characteristics. Their unique macromolecular framework enables strong interfacial bonding, high mechanical stability, and superior resistance to environmental and chemical degradation, positioning them as advanced alternatives to many traditional organic corrosion inhibitors that often fail under prolonged exposure to aggressive conditions When polyepoxides …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 167–177 Read article
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Design and Synthesis of Functionalized Copolymers for Enhanced Interfacial Compatibility in Polymer Matrix Composites
Abstract: Interfacial adhesion between the polymer matrix reinforcing phase affects significantly the mechanical and thermal behavior of polymer composites. The study reports on the design and synthesis of functionalized copolymers in the efforts to establish interfacial compatibility based on chemical design. The reinforcements were functionalized doping polar functional groups such as glycidyl methacrylate and maleic anhydride during free-radical copolymerization to form copolymerizing reactive sites that interacted with the reinforcement surfaces. Confirmation …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1404–1418 Read article
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Investigation of Bio-Physical Interaction and Electrophoretic Properties of Fe3O4/DNA Nanocomposite and Colloids for Biomedical Application
Abstract: In recent years, research on magnetic nanoparticles has gained significant attention. The core concept behind their physics lies in their interaction with biomolecules such as hemoglobin, DNA, and RNA. This study examines the fundamental forces involved in these interactions, including van der Waals attractions, electrostatic repulsion, thermal effects, and magnetic coupling between nanoparticles and biological molecules. To describe these interactions quantitatively, parameters such as zeta potential, magnetic moment density, and …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 3, 2025 · pp. 20–32 Read article
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Crystal Defects and Their Characterization in Modern Materials Science
Abstract: The physical and chemical properties of crystalline solids are fundamentally dictated by deviations from structural perfection, known as crystal defects. From the point-scale vacancies that drive diffusion to the planar boundaries that determine mechanical strength, defects serve as the primary "tuning knobs" in material design. This review provides a comprehensive examination of point, line, and planar defects, exploring their formation energetics and their role in plastic deformation via crystallographic slip. …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 15–19 Read article
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Chlorophyll-Mimicking Ti₃C₂Tₓ MXene-Conjugated Polymer Nanocomposites: Nature-Inspired Exciton Funneling Architecture for Ultrahigh Photon-to-Electron Conversion in Organic Solar Cells
Abstract: Green plant photosynthetic machinery is one of the most efficient natural systems for harvesting solar energy and converting it into useable electronic charge. Specifically, chlorophyll molecules in the Light-Harvesting Complex II (LHC-II) achieve nearly unity quantum yield via a well-organized Förster Resonance Energy Transfer (FRET) mechanism that enables excitons to migrate towards reaction centers. This study presents a bio-inspired nanocomposite architecture using two-dimensional Ti₃C₂Tₓ MXene nanosheets functionalized with chlorophyll-mimicking porphyrin …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 114–130 Read article
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Overview of Ionic Polarization: A Model Based Novel Approach
Abstract: This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 18–25 Read article
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The Role of Cholesterol in Biological Membranes
Abstract: Cholesterol plays the role of a regulator that ensures the correct packaging of the lipid part of the membrane, which is necessary for its normal operation, by influencing on the mobility of the fatty acid tails of membrane lipids: if the membrane is too rigid and there is a danger of "freezing" of fatty acid chains, cholesterol causes it to liquefy, since the chains in its presence become more mobile; …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 1, 2023 Read article
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The Molecular Structure of Chemical Compounds by using Quantitative Calculations in Chemistry
Abstract: Computational chemistry has its roots in the early attempts of theoretical physicists, beginning in 1928, to solve the Schrödinger equation using mechanical calculating machines. These calculations verified that the solutions of the Schrödinger equation quantitatively reproduced experimentally observed properties of simple systems such as the helium atom and the hydrogen molecule. These approximate solutions of larger systems and exact solutions of simple model problems allowed chemists and physicists to provide …
Published in Journal of Catalyst & Catalysis · Vol. 12, Issue 2, 2025 · pp. 01–08 Read article
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Behavior of Surface Polaritons on Cylindrical Semiconducting Materials at Nanoscale with Radius Dependence Frequency
Abstract: Surface plasmon resonance (SPR) is a physical property of the surface to investigate the important properties of optical behaviors for nanomaterial and biomaterial. It involves the excitation of electrons within a thin metal sheet by incident light at a specific angle, prompting them to propagate parallel to the surface. This sensitivity to external factors, such as changes in the refractive index of the surrounding medium due to molecular adsorption, underscores …
Published in Research & Reviews : Journal of Physics · Vol. 13, Issue 2, 2024 · pp. 1–7 Read article
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Configuration and Properties of Group III Elements in the Periodic Table
Abstract: Group III elements comprise those found in the third column of the periodic table, including boron, aluminum, gallium, indium, and thallium. These elements possess three valence electrons in their outermost shell, characterized by the electron configuration ns2np1, which influences their location and characteristics within the periodic table. The distribution of electron pairs, formal charges, oxidation states, and molecular morphologies of Group III elements and their compounds are illustrated in this …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 2, 2025 · pp. 23–30 Read article