Search
404 articles for “Electronic properties”
-
Theoretical Study of Substituent Effects on Electronic Properties and Polarizability for (2, 5, 24, 27-Tetrahalogen Pentacene) Molecule
Abstract: DFT and semi empirical methods have been carried out studying (2, 5, 24, 27 tetrahalogen pentacen) molecules using the B3LYP functional and the 6-311G (d, p) basis set and AM1 model. Total energy, electronic properties such as; ionization potential, electron affinity, energy gap, dipole moment, polarizability and electronic potential. The calculated ionization potential (6.126 eV) and electron affinity (1.417 eV) of this molecule is in a good agreement with experimental …
Published in Emerging Trends in Chemical Engineering · Vol. 3, Issue 1, 2016 · pp. 1–8 Read article
-
Carbon quantum dots (CQDs) and bioinspired photonic nanomaterials have emerged as promising multifunctional platforms for a wide range of applications in optoelectronics, nanomedicine, biosensing, fluorescence imaging, and photodynamic therapy. CQDs are nanoscale carbon-based materials characterized by unique optical and electronic properties, including size-dependent photoluminescence, high photostability, excellent water solubility, low cytotoxicity, and remarkable biocompatibility. These characteristics make them attractive alternatives to conventional semiconductor quantum dots for both technological and biomedical applications. Inspired by natural photonic systems such as photosynthetic light-harvesting complexes, rhodopsin-based photoreceptors, butterfly wings, and bioluminescent organisms, researchers have developed advanced nanostructures capable of efficient photon capture, energy transfer, and photoinduced charge separation. Recent advances in synthesis techniques, including hydrothermal, solvothermal, microwave-assisted, and green synthesis approaches, have enabled precise control over the size, surface chemistry, and optical properties of CQDs. Functionalization and heteroatom doping further enhance their photophysical performance and application versatility. In optoelectronics, CQDs have been incorporated into photodetectors, solar cells, light-emitting diodes, and flexible electronic devices due to their tunable emission characteristics and efficient charge transport properties. In the biomedical field, CQDs are increasingly utilized for targeted drug delivery, bioimaging, biosensing, and photodynamic therapy because of their excellent fluorescence behavior and biological compatibility. Furthermore, bioinspired photonic nanomaterials are being explored for artificial photosynthesis and sustainable energy conversion systems, where efficient light harvesting and electron transfer are critical. This review highlights recent developments in the synthesis, photophysical properties, and multifunctional applications of CQDs and related bioinspired photonic nanomaterials, while discussing current challenges and future opportunities for the development of intelligent nanophotonic and bioelectronic technologies.
Abstract: Carbon quantum dots (CQDs) and bioinspired photonic nanomaterials have emerged as promising multifunctional platforms for a wide range of applications in optoelectronics, nanomedicine, biosensing, fluorescence imaging, and photodynamic therapy. CQDs are nanoscale carbon-based materials characterized by unique optical and electronic properties, including size-dependent photoluminescence, high photostability, excellent water solubility, low cytotoxicity, and remarkable biocompatibility. These characteristics make them attractive alternatives to conventional semiconductor quantum dots for both technological and biomedical …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 4, Issue 2, 2026 · pp. 16–24 Read article
-
Effect of Zr, Fe Mono, Bimetallic Nanoparticles on the Electronic Properties of PVA/PVP Polymer blend
Abstract: AbstractThis paper describes the environmentally friendly production of polymer blend nanocomposites (PBNCs) made of polyvinyl alcohol (PVA) and polyvinylpyrrolidone (PVP) and embedded with Zirconium(ZrO2), Iron (Fe2O3), and Zirconium-Iron (Zr-Fe), mono and bimetallic nanoparticles (NPs). FTIR spectroscopy was used to investigate the blend's development, interaction between polymers and nanoparticles, interactions between polymers and one another, and the impact of nanoparticles on interactions within PVA/PVP blend nanocomposites. With the addition of nanoparticles …
Published in Journal of Polymer & Composites · Vol. 11, Issue 1, 2023 · pp. 72–80 Read article
-
Comparison of 11-Atom Armchair Graphene Nanoribbons and Zig-Zag Carbon Nanotubes in Polymer Composites Under Various Bias Voltages: A Study of Electronic and Transmission Properties
Abstract: In this research, 11-atom zig-zag carbon nanotubes (ZCNTs) and 11-atom armchair graphene nanoribbons (AGNRs) were studied under applied bias voltages at 50, 150, and 300 millivolt levels. The focus was on understanding their behaviour concerning transmission qualities, current-voltage (I-V) characteristics, and energy-momentum (E-K) diagrams. The Non-Equilibrium Green's Function (NEGF) approach was employed to analyse various electronic properties for ZCNTs and AGNRs, including transmission, E-K relationships, and I-V characteristics. The results …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 126–134 Read article
-
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
-
Green Synthesis and Evaluation of Electronic and Optical Properties of CdS/CdTe Quantum Dots
Abstract: The CdS/CdTe quantum dots (QDs), with altered concentrations of CdS, were synthesized using straightforward precursors through an environmentally friendly green method. The synthesized quantum dots were characterization by UV–visible absorption spectroscopy, Photoluminescence (PL), and Fourier Transform Infrared Spectroscopy (FTIR) to understand their electronic and structural properties. The average particle size is nearly consistent with the values derived from Brus's formula. The UV–visible spectra show a blueshift compared with pure sample, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 185–194 Read article
-
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
-
Modeling of ZnO Based Nano Sensor Device for Evaluating Electronic Interaction with NO2 Pollutant: Combining Multiphysics Simulation and DFT Study
Abstract: This study focuses on the designing and modeling of a sensor device employing zinc oxide (ZnO) nanowires (NWs), and the evaluation of the chemical response of the same in the presence of nitrogen dioxide (NO2), which is an acute harmful pollutant for human health and environment. Experimentally synthesized ZnO nanostructures were used as the basis for modeling of the ZnO NWs based sensor device along with a single ZnO NW, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 211–219 Read article
-
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
-
Current-Voltage Characteristics of 15-Atom Agnrs and Zcnts at Various Bias Voltages: Insights for Polymer Nanocomposite Applications
Abstract: The present research investigates the electronic properties of 15-atom Armchair Graphene Nanoribbons (AGNRs) and 15-atom Zig-Zag Carbon Nanotubes (ZCNTs) under applied bias voltages of 100, 200, 300, 400, 500, and 600 millivolts. Using the Non-Equilibrium Green's Function (NEGF) technique, the study analyzes various electrical features, including current-voltage (I-V) characteristics, to understand the behavior of these nanostructures. The findings reveal that AGNRs exhibit a larger bandgap than ZCNTs, which have a …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 135–144 Read article
-
Heavy Fermions to the Scheme from Semimetals
Abstract: This article is a study about heavy Fermions to scope strange and unknown features of scattering accounted to conduction electrons in the metal. Nucleons generated by heavy metal compounds are named heavy fermions. These generate from magnetic impurities that are present in the matter as unusual distribution in particulate forms. Parameter of quasi-crystal lattice instability of these compounds has significance in response to behave as non-Fermi liquids affected under magneto-transport. …
Published in Journal of Materials & Metallurgical Engineering · Vol. 11, Issue 2, 2021 · pp. 15–22 Read article
-
Electron beam irradiation studies of polyethylene maleic anhydride on their Chemical and Thermal properties.
Abstract: The electron beam (e-beam) irradiation effects on polyethylene maleic anhydride (MANPE) are investigated by spectroscopic and thermal methods. The MANPE irradiated with electron beam to a radiation dose of 30, 60 and 90 K Gy and the resultant changes in their chemical structure and thermal properties have been investigated by Electron spin resonance (ESR), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electron microscopy …
Published in Journal of Polymer & Composites · Vol. 6, Issue 2, 2018 · pp. 17–30 Read article
-
Effect of Gamma and Electron Beam Irradiations on Crystalline and Gelatinization Properties of Edible Potato Starch
Abstract: Exposure of food material to radiation causes changes in crystalline (damage of crystal structure / lattice distortion), and gelatinization (digestive)properties. Potato starch (PS) is one of the important globally used food supplement in different forms like chips, curries, cusins etc. During its use the PS is exposed to radiations, altering its molecular structure (due to chain cleavages) and bring changes in structural and physical properties ; sometimes ill – effects …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 113–127 Read article
-
Synthesis and Characterization of Sustainable, Low-Cost, Biomass-Derived Carbon Films from Hevea Brasiliensis (Rubber) Wood for Environmentally Friendly Gas Sensors with Enhanced Selectivity and Sensitivity to Polar Vapors and Hazardous Gases
Abstract: Hevea brasiliensis (rubber) wood sawdust was utilized to fabricate carbon gas sensors for detecting 1000 ppm of ethanol, methanol, acetone, carbon dioxide, and ammonia gases. The carbon particles were prepared by phosphoric acid impregnation followed by thermal activation and then fabricated into films on conductive and non-conductive substrates using the doctor blade method. X-ray diffraction (XRD) analysis revealed distinct graphitic features with peaks at the (002) and (100) planes, indicating …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 12, Issue 1, 2025 · pp. 22–36 Read article
-
Investigation on Mechanical Properties of Bamboo-Plastic Composites by Alkali Treatment and Illustration via Scanning Electron Microscopy
Abstract: The morphological properties, tensile and flexural strength of composite materials made of bamboo fibres and plastic were investigated. Bamboo-plastic composites (BPCs) were made from bamboo fibres, plastic, and urea formaldehyde (UF) resin to evaluate the effects on mechanical properties. Two different types of plastics, namely polypropylene (PP) and low-density polyethylene (LDPE) were used to make the composite fabrication. The bamboo fibres were extracted after soaking them in a sodium hydroxide …
Published in Journal of Polymer & Composites · Vol. 11, Issue 3, 2023 · pp. 86–95 Read article
-
Multifunctional and Photocatalytic Properties of DyFeO₃/Dy₃Fe₅O₁₂ Biphasic Nanoparticles
Abstract: Rare-earth orthoferrites constitute a class of compounds that exhibit remarkable magnetic, optical, and electronic properties across a wide temperature range. In the present study, a dysprosium-based orthoferrite containing dual phases of DyFeO₃ perovskite and Dy₃Fe₅O₁₂ garnet was successfully synthesized via the co-precipitation technique. X-ray diffraction (XRD) analysis was employed to investigate the structural configuration of the synthesized material. The diffraction pattern confirmed the formation of a biphasic composite comprising orthorhombic …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 2, 2025 · pp. 41–54 Read article
-
An Investigation on Influence of Gamma-Irradiation and Doping on Chemical Structures and Optical Properties of Conducting Polypyrrole
Abstract: In this study, the authors report on effect of gamma-irradiation and doping (bromine, iodine and sulfate ion) on chemical structure and optical, electronic properties of polypyrrole. Optical absorption spectrum of PPY shown absorption bands centered around 36.2.5 nm (peak 1), 450 nm (peak 2) and 525 nm (peak 3) positions. Gamma irradiation resulted in broadening of peak A together with a band shift of 45–525 nm and disappearance peaks 2 …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 · pp. 48–57 Read article
-
Structural and Elasto-Mechanical Properties of Half Heusler Alloy CoHfBi as Ferromagnetic Semiconductor
Abstract: Herein, we have explored Half Heusler Alloy CoHfBi under the density functional theory is simulated using the Wein2k package. The structural characterization we had done in two different phases, i.e., spin polarised, and non-spin polarised which suggests that the CoHfBi alloy stable in spin polarised phase in Y2 type structure. Ab-Initio calculations are helpful to examine the dependence of the global properties of Heusler alloys on atomic composition and crystal …
Published in Journal of Semiconductor Devices and Circuits · Vol. 10, Issue 2, 2024 · pp. 20–25 Read article
-
Synthesis, Spectral Characterization and Computational Studies of Hydrazine Derivative
Abstract: (E)-1-(2,3-dimethoxy benzylidene)hydrazine (2,3-DMBH) is synthesized by condensation reaction. FT-IR, ¹H NMR, ¹³C NMR spectra were recorded for this compound. The synthesized compounds were evaluated as potential drug candidates through ADME analysis and Lipinski’s rule verification. Molecular docking studies against six proteins using AUTO DOCK software showed promising results. Among them, 2,3-DMBH exhibited strong binding affinities, particularly with 3ERT (-5.44 kcal/mol), followed by 5F90, 7E9B, and 3EWD. These findings suggest that …
Published in Emerging Trends in Chemical Engineering · Vol. 12, Issue 2, 2025 · pp. 1–17 Read article
-
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