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241 articles for “electronic structure”
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Investigative Study of Relationship of Chemical Characteristics of Group V Elements and Electron Structure
Abstract: Understanding the chemical properties of Group V elements through their electron configurations deepens our comprehension of periodic trends. Transitioning from nitrogen to bismuth, we observe a shift from non-metals to metalloids and then to metals, a change driven by the progression of electron shell and orbital filling. This insight is crucial for forecasting and elucidating the varied chemical behaviors and uses of Group V elements, thereby aiding developments in chemistry …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 2, 2025 · pp. 39–45 Read article
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Overview of the Relationship of Chemical Behavior to Electron Structure of Group VII Elements in the Periodic Table
Abstract: This article examines the intriguing relationship between the chemical properties and electron configurations of Group VII elements, known as halogens: fluorine (F), chlorine (Cl), bromine (Br), iodine (I), and astatine (At), which are located in the periodic table. These elements possess a common electron arrangement characterized by seven electrons in their outermost energy level. This shared arrangement is fundamental to their unique reactivity patterns. As one moves down the group, …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 43–58 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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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Investigation of the Thermoelectric, Electronic Band Profile, and Structural Properties of Skutterudites Based on Cobalt and Antimony
Abstract: We investigated ThCo4Sb12, an actinium-filled skutterudite, from the ground up for structural, electronic, and thermoelectric properties. A generalized gradient approximation and modified BeckeJohnson potentials were used to calculate the exchange-correlation potential. The compound is shown to have metallic properties in the electronic structure calculations. Actinium series element is used as a void filler in this study. The Seebeck coefficient and electrical conductivity can be calculated using Boltzmann's transport theory. According …
Published in Journal of Structural Engineering and Management · Vol. 11, Issue 2, 2024 · pp. 13–19 Read article
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SYNTHESIS AND CHARACTERIZATION OF Mn2+ DOPED LiPbX3(X = Cl, Br, I)
Abstract: In this paper the structural, electronic and optical properties of Mn doped Pb based cubic perovskites LiPbX3(X= Cl, Br and I) were studied by wet chemical method (sol gel method). For Mn doped LiPbX3(X= Cl, Br and I) NCs, MnCl2 and PbBr2 were added in molar feed ratio 1.35 mole% and nan crystal were examine with the help of TEM and their structure were confirmed by X-ray diffraction (XRD). Additionally, …
Published in Journal of Polymer & Composites · Vol. 12, Issue 6, 2024 · pp. 48–54 Read article
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Role of Quantum Chemistry in Catalysis: A Comprehensive Review
Abstract: Catalysis plays a crucial role in modern chemical manufacturing, energy conversion, and environmental protection by enabling chemical reactions to occur more rapidly, selectively, and with reduced energy consumption. A fundamental understanding of catalytic processes at the atomic and electronic levels is essential for the rational design and optimization of catalysts. Quantum chemistry has emerged as a powerful theoretical and computational framework that enables detailed investigation of electronic structure, reaction energetics, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 1, 2026 · pp. 01–16 Read article
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Demonstrative Research of Group VII Elements of the Periodic Table: Characteristics and Properties of Chemical Behavior
Abstract: The elements in Group VII, commonly referred to as halogens, are non-metals that exhibit similar chemical characteristics and a high level of reactivity, which can be attributed to their electron configuration. This paper seeks to provide an overview of the relationship between the electron structure and chemical behavior of the Group VII elements found in the periodic table. The primary goals include elucidating how the electron configuration influences the physical …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 18–26 Read article
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Techniques of Atomic Structure Orbit Potential of The Frequency Characteristics of Silicon Element
Abstract: This study explores the technological applications and material integration of semiconductor materials, with a focus on their electronic properties and practical implementations. The investigation primarily addresses four key objectives: analyzing the electronic band structure and density of states (DOS) of semiconductor materials, evaluating the band alignment in heterojunctions, and integrating these materials into practical technological applications. Using a simplified tight-binding model, we compute and plot the electronic band structure of …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 11, Issue 3, 2024 · pp. 16–32 Read article
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Structure–Optical Property Correlation of Co-Doped TiO₂ and ZnO Nanofillers for Advanced Functional Composite Applications
Abstract: This study investigates the enhancement of the structural and optical properties of titanium dioxide (TiO₂) and zinc oxide (ZnO) nanoparticles through cobalt (Co) doping. Pristine TiO₂ and ZnO are widely studied metal oxides; however, their large band gaps and limited visible-light absorption restrict their performance in optoelectronic, photocatalytic, and environmental applications. Co doping is employed as an effective strategy to overcome these limitations by inducing band-gap narrowing, creating defect-related electronic …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1374–1394 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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Graphene Based Electronic Skin for Wearable Health Monitoring and Human– review on Machine Interaction, Materials, Structures and AI Integration
Abstract: Graphene-based electronic skin (e-skin) has emerged as a transformative technology for next-generation wearable health monitoring and advanced human–machine interaction (HMI). Owing to its outstanding electrical conductivity, mechanical flexibility, atomic-scale thickness, and biocompatibility, graphene enables the fabrication of ultrathin, conformal, and multifunctional sensors capable of mimicking the sensory functions of natural human skin. Over the past decade, research in this domain has progressed rapidly across four interconnected fronts: material synthesis and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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A Comprehensive Review on Piezoelectric Composites for Energy Harvesting and Sensing
Abstract: The capacity of piezoelectric composites to transform mechanical energy into electrical energy and vice versa has drawn a lot of interest recently. This property makes them very appealing for use in energy harvesting and sensing applications. These materials combine the high piezoelectric performance of ceramics with the mechanical flexibility and processability of polymers or other matrices, enabling a wide range of practical uses in flexible electronics, wearable systems, and embedded …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 3, Issue 1, 2025 · pp. 19–24 Read article
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Synthesis, spectroscopic, crystal structure, Hirshfeld surface, computational, and biological investigations on Isophorone derivatives: 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one
Abstract: FT-IR, 1H NMR, and 13C NMR spectroscopy were among the spectroscopic methods used to synthesize and analyze 3-(3,4-dimethoxystyryl)-5,5-dimethylcyclohex-2-en-1-one, a new isophorone derivative. Single-crystal X-ray diffraction (SCXRD) was used to determine the crystal structure, which showed that the molecule crystallizes in a monoclinic system (space group P121/c1) with packing configurations and intermolecular interactions. To learn more about the non-covalent interactions influencing the crystal packing, Hirshfeld surface analysis was used. In order …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 16, Issue 2, 2025 · pp. 51–69 Read article
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Nano- Catalysts for Enhanced Performance in Hydrogenation Reactions
Abstract: The development of nano-catalysts has revolutionized the field of hydrogenation reactions, offering unparalleled efficiency and selectivity. This study explores the synthesis, characterization, and application of novel nano-catalysts designed to enhance hydrogenation processes. By leveraging advanced materials science techniques, we have engineered catalysts with precisely controlled particle sizes, shapes, and surface properties. These nano-catalysts exhibit remarkable activity and stability, attributed to their high surface area-to-volume ratios and unique electronic structures. Our …
Published in Journal of Catalyst & Catalysis · Vol. 11, Issue 1, 2024 · pp. 22–27 Read article
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Social Media Usage Among Youth in Punjab: Platform Preferences, Usage Habits, and Academic Impact
Abstract: Background: The role of social media in daily life and communication activities continues to grow, especially among young people. Given the shift towards more social interaction and engagement online, it is important to look at the preferences of the platforms, their habits of usage, and how they relate with academic engagement. This research study analyzes the social media utilization patterns of youth residing in Punjab, India with the aim of …
Published in Journal of Communication Engineering & Systems · Vol. 15, Issue 2, 2025 · pp. 21–30 Read article
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An Overview on Quantum dot technology in Temperature sensor design
Abstract: Quantumdot (QD) thermometry harnesses the sizedependent electronic structure of semiconductor nanocrystals to translate minute temperature variations into robust optical signals. In this work we present a systematic design framework for QDbased temperature sensors that integrates (i) bandgap engineering through precise colloidal synthesis, (ii) surfacestate passivation to suppress nonradiative pathways, and (iii) a planar photonicreadout architecture compatible with lowcost, CMOSfriendly fabrication. By exploiting the linear redshift of the photoluminescence (PL) peak …
Published in Journal of Electronic Design Technology · Vol. 17, Issue 1, 2026 · pp. 10–17 Read article
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The Awareness–Behaviour Paradox: Media Literacy and Social Media Risk Behaviour Among Nigerian Undergraduates
Abstract: Background: The proliferation of internet-capable devices and social media platforms has created an intricate web of risks for Nigerian undergraduates, including cyberbullying, addiction, misinformation, and exposure to indecent content. While media literacy has been widely proposed in Western scholarship as a sustainable intervention for responsible online behaviour, its protective mechanisms remain insufficiently understood in non-Western contexts, particularly with respect to the psychological pathways through which literacy operates. Objectives: This study …
Published in International Journal of Behavioral Sciences · Vol. 3, Issue 1, 2026 · pp. 121–126 Read article
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Silicon Symphony: The Science of Semiconductors Circuits
Abstract: Modern electronics are built on the foundation of semiconductor circuits, which precisely and efficiently control the flow of electrical impulses. This article takes a look at the underlying physics of semiconductor materials and how their unique electrical properties allow the design and functioning of diodes, transistors and integrated circuits. This study links microscopic scientific principles to the behaviour of real circuits. It considers essential concepts such as charge carriers, doping …
Published in International Journal of Solid State Innovations & Research · Vol. 4, Issue 1, 2026 Read article
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Role of Strontium in Structural and Dielectric characterstics of Barium Titanate
Abstract: Ba₀.₇₅Sr₀.₂₅TiO₃ (BST) compound was synthesized through the conventional solid-state reaction methodology, aimed at investigating its structural, microstructural, and dielectric characteristics. The structural characterization was executed employing X-ray diffraction (XRD), and the resultant diffraction patterns were refined utilizing the Rietveld method, which substantiated the establishment of a single-phase perovskite configuration exhibiting tetragonal symmetry and belonging to the P4mm space group. The refined lattice parameters revealed subtle distortions correlating with the substitution …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1157–1163 Read article