Proceedings of the Asian Research Association
Synthesis And Characterization of Bulk gC3N4 and sheet gC3N4
Graphitic carbon nitride (gC3N4), a two-dimensional (2D) graphite-like structure, has attracted increasing attention for supercapacitor for its good EDLC behaviour due to its high nitrogen content that can provide more active reaction sites and additional electrons to enhance conductivity and improve the wettability with the electrolytes. The preparation of Bulk gC3N4, is very simple which is done by thermal polymerization. gC3N4 sheets are prepared from bulk gC3N4 through hydrothermal treatment. XRD (X-Ray Diffraction), FTIR (Fourier Transform Infrared Spectroscopy), SEM(Scanning electron microscopy) and CV(cyclic voltammetry) were taken.
Copyright (c) 2024 Siva Sankari G, Prabha D (Author) https://creativecommons.org/licenses/by/4.0
Evaluating the Reactive Sites, Topological Analysis of the Flavone and Isoflavone Compound – A DFT Study
The rapid increase of free radicals (solitary pairs of the electron) population in the human system leads to the production of oxidative stress OS, it is the foremost initiator in simulating the infinite number of diseases in the human system, such as Parkinson’s disease, Alzheimer’s disease AD, amyotrophic lateral sclerosis ALS, multiple sclerosis, depression and memory loss as well as it disturbs the cellular arrangements like lipids, proteins, lipoproteins and deoxyribonucleic acid DNA. The generation of free radical population is terminated by donating an electron to it, these electrons are donated from the secondary plant metabolites which contains excellent antioxidant and antiradical property in nature. The theoretical investigation is plays a major role in identifying the radical scavenging ability as well as the reactive sites of the system, where an electron density is higher or lower. This is achieved from density functional theory DFT, one of the most efficient platform in analysing the reactive sites as well as the chemical bonding of the system, with the better accuracy among all the computational calculations. The DFT calculation is performed using Meta hybrid exchange functional (M06-2X) is employed to identify the interactive sites of the secondary plant metabolites orobol OR (3’, 4’, 5, 7 – tetrahydroxyisoflavone) and luteolin LU (3’, 4’, 5, 7 – tetrahydroxyflavone). The interacting sites of OR and LU are observed via quantitative electrostatic potential in which the electrophilic and nucleophilic potentials are analyzed. Electron donating and accepting propensity of the chosen secondary metabolites are identified, and interpreted with the help of electron localization function ELF and local orbital.
Quantitative electrostatic potential (QESP)
Copyright (c) 2024 Sivaranjani G, Shilpa D, Sadasivam K (Author) https://creativecommons.org/licenses/by/4.0
A DFT study of antioxidant potential of a flavanone and isoflavanone by multiple free radical (H+/e-) mechanisms
Reactive oxygen species (ROS), reactive nitrogen species (RNS), and reactive sulfur species (RSS) are continuously obtained as a byproduct of various aerobic processes. Lower or moderate presence of these species has various health benefits. But, if the accumulation of these ROS, RNS and RSS are uncontrollable, they lead to major health defects like oxidative stress which plays a key role in various non-communicable diseases. To balance these reactions, non-enzymatic antioxidants such as secondary metabolites are promising choices because of their complex heterogeneous structures and charge-withdrawing functional groups. In this present work, the potential radical scavenging behavior of the two chosen biomaterials namely, Eriodictiol ER (5,7,3',4' tetrahydroxyflavanone) and Dalbergiodin DA (5,7,2',4' tetrahydroisoflavanone) are considered. The potential radical scavenging behavior of the chosen biomaterials is examined via quantum computations using thermodynamic mechanisms like H atom transfer (HAT), Sequential electron transfer-proton transfer (SETPT) and Sequential proton loss-electron transfer (SPLET) and their extended versions such as tetra H- atom transfer (teHAT), tetra Sequential electron transfer-proton transfer (teSETPT) and tetra Sequential proton loss-electron transfer (teSPLET). All the computations are analyzed by using density functional theory (DFT) by Minnesota functionals M06-2X/6-311 G(d,p) at the gas phase. The results reveal the potent antioxidant abilities of the investigated secondary metabolites. All four consecutive steps in the given mechanisms show gradually decreasing energy magnitudes compared to the same site at the previous steps. As per the obtained results, all four successive HAT mechanisms show profound results compared to the other two multiple scavenging mechanisms by their lower energy parameters.
Copyright (c) 2024 Shilpa D, Sivaranjani G, Sadasivam K (Author) https://creativecommons.org/licenses/by/4.0
Influence of Metal Ions (Cu, Ni, Zn) Substituted Cobalt Ferrite Nanoparticles Synthesized by Sol-Gel Auto Combustion Method for Magnetic Application
The impact of metal ion substitution on the characteristics of cobalt ferrite nanoparticles is investigated in this work. Sol-gel auto-combustion was used to insert copper (Cu), nickel (Ni), and zinc (Zn) into the spinel lattice. The goal of the study is to comprehend the effects of these substitutions (CuCoFe, NiCoFe, and ZnCoFe) on the magnetic, spectral, and structural properties of the resultant nanoparticles. For every synthetic sample, the successful development of a cubic spinel phase has been confirmed by X-ray diffraction examination. The estimated crystallographic size is roughly 25 nm. The spinel structure's octahedral and tetrahedral sites exhibit metal-oxygen vibrations, as shown by a peak seen at 433 cm⁻³ using Fourier Transform Infrared (FTIR) spectroscopy. Cobalt ferrite nanoparticles replaced with Cu and Ni exhibit well-defined ferromagnetic behavior as revealed by magnetic characterisation. The Zn-substituted sample, on the other hand, displays a paramagnetic hysteresis loop. These findings, along with the results of the other characterization methods, strongly imply that copper, nickel, and zinc have successfully replaced cobalt ions in the octahedral positions of the cobalt ferrite lattice.
Copyright (c) 2024 Anjana R, Vishnu Narayanan V, Raguram T, Rajni K.S (Author) https://creativecommons.org/licenses/by/4.0
Deposition of Ag nanostructures on PET substrates by DC Sputtering
Silver (Ag) nanoparticulate thin films were deposited over Polyethylene terephthalate (PET) sheets at different deposition time by DC sputtering method. XRD patterns confirm the deposition of Ag over the PET surface. Cauliflower like morphology of Ag nanostructures was observed from the SEM images. Ag nanoparticles deposited over transparent PET surface shows higher transmittance when compared with Ag nanoparticles deposited over opaque PET. Transmittance of the Ag deposited over transparent PET is found to be 40% at wavelength of 320nm and transmittance of Ag deposited over opaque PET is found to be low. The size distributions of the Ag nanoparticles are found to be in the range of 5 to 30 nm by AFM analysis. Ag deposited over transparent PET can be utilized for further growth of WO3 for electrochromic application.
Copyright (c) 2024 Vasanth Raj D, Naidu Dhanpal Jayaram, Chakravarty S (Author) https://creativecommons.org/licenses/by/4.0
Synthesis, Characterization and Cyclic Voltammetry Studies of ZnFe2O4 Nanoparticles
This study focuses on the preparation of zinc ferrite (ZnFe2O4) nanoparticles for electrochemical analysis and its energy storage applications. The preparation of zinc ferrite nanoparticles is accomplished through a hydrothermal approach without subsequent annealing. The prepared samples undergo comprehensive characterization through X-ray diffraction (XRD) and Fourier-transform infrared spectroscopy (FTIR). Additionally, sample undergoes scanning electron microscopy (SEM) for morphological analysis and cyclic voltammetry (CV) is employed to assess electrochemical performance in 1M Na2SO4. The XRD results unveil the crystalline size and FTIR analysis provides insights into the intrinsic stretching vibration of metal-oxygen bonds, confirming the ferrite phase. Cyclic voltammetry analysis reveals a capacitance of 442 F/g, highlighting zinc ferrite as a potential material for energy storage applications. This work elucidates zinc ferrite properties, offering valuable insights for optimizing its performance in energy storage devices.
Copyright (c) 2024 Nabeela Kader, Kannan M.D, Vasanth Raj D (Author) https://creativecommons.org/licenses/by/4.0
A Dual Approach Involving Empirical Charecterization and DFT Calculation to Elucidate the Impact of Mn Doping on ZnO Nanoparticles
This work used a twofold method to investigate the effects of manganese (Mn) doping on zinc oxide (ZnO) nanoparticles. Density Functional Theory (DFT)-based theoretical computations and experimental characterisation are combined in this study. The first emphasis is on the analysis of experimental data from ZnO nanoparticles doped with Mn that were generated by a straightforward co-precipitation process. The purpose of this analysis is to disclose the impact of Mn doping in relation to pure ZnO nanoparticles. DFT calculations are used to offer a theoretical basis for the observed behavior, complementing the experimental results. The study employs typical DFT methods for energy convergence, structural optimization, band-gap computations and Density of States (DoS) analysis. The purpose of these calculations is to clarify the structural and electrical characteristics of ZnO's wurtzite crystal structure. The study includes a Hubbard-U adjustment in recognition of the widely acknowledged underestimating of bandgap values by standard DFT. The bandgap predictions for the Mn-doped ZnO nanoparticles are improved with the help of this adjustment.The samples prepared where characterised for its morphological, optical, structural and dielectric analysis. The X-ray diffraction data confirmed hexagonal wurtzite structure. The SEM and EDAX were used to confirm composition and morphology and hexagonal disc-like structures were observed. The PL showed intense green and faint blue emissions. The dielectric studies were performed, and Mn-doping showed clear influence in results.
Copyright (c) 2024 Adithya S. Kamath, Kaustubh Banerjee, Kathirvel P, Lakshmi Mohan (Author) https://creativecommons.org/licenses/by/4.0
Micromagnetic Simulation of Skyrmion Deformation in Elliptical Nanoring
The present study explores the micromagnetic properties of ultrathin elliptical nanorings with whirling magnetic structures called skyrmions. The simulations investigate the creation and dynamics of skyrmion using the Object Oriented MicroMagnetic Framework (OOMMF). A cobalt nanoring placed on a platinum substrate makes up the model system. To closely resemble genuine materials, material properties including saturation magnetization, Dzyaloshinskii-Moriya interaction (DMI) constant, and Heisenberg exchange stiffness are carefully selected. The simulations methodically examine the effects of applied magnetic fields and different DMI strengths. In order to comprehend their influence on the stability and deformation of the skyrmions inside the nanoring, these external elements are investigated. Our results show a strong relationship between the generated skyrmion size and shape and the DMI strength. Distinct stability and deformation patterns result from varying DMI intensities, underscoring the pivotal function of this interaction in controlling skyrmion behavior inside the nanoring geometry. At higher DMI values, skyrmions exhibit irregular patterns and increased magnetic torque, with variations in domain wall thickness and skyrmion configuration over time. We demonstrate that by optimizing the combination of DMI strength and magnetic field, controlled generation and stabilization of skyrmions in nanostructures can be achieved. This work widens the opportunities for future developments in spintronic technology by aiding in the creation of nanoscale memory and information devices.
Copyright (c) 2024 Vishnupriya Kuppusamy, Amuda Rajamani, Kanimozhi Natarajan, Brinda Arumugam (Author) https://creativecommons.org/licenses/by/4.0
Synthesis and structural characterization of Ag doped CaO for reduction of 2-Nitrophenol
Ag-doped CaO nanoparticles were produced using a cheap and straightforward co-precipitation technique. The optical and structural properties were confirmed by UV-Vis, FT-IR, XRD, FESEM analysis. The λmax value was found to be 292 nm and the Ag doped CaO nanoparticles have the cubic structure which is confirmed by XRD analysis. The synthesized nanocomposite has cluster morphology which is found out by FESEM analysis. Ag doped CaO nanoparticles exhibited an efficiency of >99% in the reduction of 2-nitrophenol.
Copyright (c) 2024 Nivetha A, Rakesh S.S, Priyatharshini S (Author) https://creativecommons.org/licenses/by/4.0
Synthesis and Characterization Studies of Benzimidazol-3-Ium Furan-2-Carboxylate Crystal
A new charge transfer (CT) complex, Benzimidazol-3-ium furan-2-carboxylate (2FBI) was prepared and a method employed to purify solid compounds low temperature solution growth technique at comfortable temperature. The charge transfer compound was depicted using CHN analysis, Ultraviolet visible spectra, IR spectra, 1H NMR spectra, and thermal behavior. Thermogravimetric (TG) and differential thermal analysis are used to study its biological activities, including its antibacterial activity, which showed significant capacity against S. aureus and E. coli.
Copyright (c) 2024 Athul B.R, Venkatesh R, Vadivelan G (Author) https://creativecommons.org/licenses/by/4.0
Effect of FeCl3, CoCl3, and NiCl3 on the Properties of Sulphamic Acid Single Crystals
The slow evaporation approach was used to create both pure Sulphamic single crystals and doped Sulphamic acid single crystals with FC, CC, and NC at room temperature. The orthorhombic system of their crystal structures was verified by Powder X-ray Diffraction (PXRD) analysis. Their vibrational modes were determined by spectrum analysis using Fourier Transform Infrared (FTIR) and FT-RAMAN. Studies on UV-Vis-NIR absorption were carried out to comprehend the optical behavior. The impurity on the absorption was detected at 365 nm, 395.75 nm, and 384.43 nm for pure and doped crystals, respectively, based on the PL spectra.
Copyright (c) 2024 Nandha Kumar N, Christin Jenifer A, Kathirvel D, Kanchana G (Author) https://creativecommons.org/licenses/by/4.0
DC conductivity studies of CuO Nano petals incorporated PMMA Thin Films
CuO nano petals are synthesised by the chemical precipitation method. XRD, SEM, and TEM are used to accomplish structural and morphological studies. Based on XRD results, the average grain size is calculated to be 12 nm, and the structure of nanoparticles is identified as Monoclinic. SEM and TEM analyses confirm that the synthesised nanostructure exhibits a nano petal morphology. The optical properties are characterised using UV-vis DRS Spectrophotometer, and the band gap is determined to be 1.3 eV. Three samples of PMMA, each with varying concentrations of CuO (10%, 20% and 30% nano petals) are spin-coated onto pre-cleaned FTO-coated glass substrates. The current-voltage characteristics of the annealed film are studied by the two-point probe method. The film with 10% CuO exhibited better D.C conductivity than the other concentrations.
Copyright (c) 2024 Unniyarcha K.K, Kathirvel P, Lakshmi Mohan, Saravanakumar S (Author) https://creativecommons.org/licenses/by/4.0
Recrystallization of Single Faceted Polycrystalline Sodium Chloride for Thin Film Transfer Applications
Many electronic applications are moving towards the flexible and wearable gadgets. In most of these electronic items, a flexible conducting substrate is used for supporting the thin film. A thin films quality is improved by the annealing process in which the grain boundaries fuses together to form a cohesive grain structure. Most of the flexible substrate available today lacks the heat resistance to withstand the annealing process. To address this issue, a neutral-solution soluble heat resistant NaCl substrate is developed by the recrystallization method. In this study, polycrystalline NaCl is recrystallized to a single plane (220) and demonstrated the transfer of ZnO and Mo thin films from polycrystalline NaCl to glass substrates.
Copyright (c) 2024 Karthick K, Kathirvel P, Praisudan S, Pavithra G (Author) https://creativecommons.org/licenses/by/4.0
Electrochemical Properties of Ferrous Nickel Pyrophosphate Thin Film Electrodes for Energy Storage Applications
The present work deals with the preparation of ferrous nickel pyrophosphate (Fe2Ni2P2O7) thin films via a facile approach namely chemical bath deposition. X-ray diffraction analysis evinces that the prepared Fe2Ni2P2O7 thin films are of monoclinic structure and crystallinity is improved by increase in Fe concentration with a preferential orientation along the (111) direction. Scanning electron microscopy and high-resolution scanning electron microscopy analysis reveal the microsphere like morphology and uniform anchoring of Fe2 on Ni2P2O7 thin film surface, which is favorable for good charge transfer between the electrode and electrolyte interface. The UV-Visible spectroscopy analysis reveals that direct optical band gap of Fe2Ni2P2O7 thin films holds decreasing trend from 3.80 eV to 3.17 eV with increasing amount of Fe from 1M to 3M. Photoluminescence spectroscopy has been employed to study the luminescence properties, with respect to the Fe concentration. The different phonon modes and magnon modes of vibration present in the Fe2Ni2P2O7 film have been studied by Raman spectroscopy. Electrochemical analysis shows that, the Fe2Ni2P2O7 film electrode offers a specific capacitance of 441 F/g with excellent electrochemical and cyclic stability. The studies on Fe2Ni2P2O7 films have yielded promising results enrich express the potentiality for better utilization in energy storage devices.
Copyright (c) 2024 Nivetha S, Prabahar S, Karunakaran R.T, Narendhera Ganth M, Boobalan T, Dhinesh T (Author) https://creativecommons.org/licenses/by/4.0
Effect of Alkali Metal Ions (Li+, Na+ and K+) on The Structural and Luminescence Properties of CaMoO4:Dy3+ Nanophosphor
Dy³⁺-doped CaMoO₄ nanophosphors were co-doped with K⁺, Na⁺, and Li⁺ using a co-precipitation method. XRD analysis confirmed the tetragonal structure (space group I41/a) of the synthesized nanophosphor. To further investigate the material's properties, particularly the band gap of CaMoO4:Dy³⁺ co-doped with K⁺, Na⁺, and Li⁺, UV-Visible spectroscopy and Diffuse Reflectance Spectroscopy (DRS) were employed. The Photo-Luminescence studies were made to investigate the emission and excitation characteristics. The CIE parameters such as color coordinates will be found out and the Color Rendering Index (CRI) also investigated to determine whether the fabricated phosphor will be suitable for white-LED applications.
Copyright (c) 2024 Ezhilarasu G.B, Loganathan C, Suresh Kumar A, Arul H, Rajendra Kumar R.T (Author) https://creativecommons.org/licenses/by/4.0
A Comprehensive Review on Enhancement of Sensitivity of Spin Diode
Spintronics, a branch of electronics that uses the quantum property of electron spin has been widely developing nowadays. Spin diode technology is a part of this emerging trend that shows better performance beyond the traditional semiconductor diodes in certain parameters. This review focuses on the spin diodes with a primary objective of studying the enhancement in the sensitivity of these devices to be used in various applications including memory devices, sensors and advanced computing. The review covers the basic principle of spin diode, its historical development, working, methods to enhance sensitivity and studies on its resonant frequency. The key mechanisms like Spin Transfer Torque (STT) and Giant Magnetoresistance (GMR) were also given importance. Additionally, the study covers the various techniques used to analyze the performance of spin diode and its practical limitations. Overall, the work is made to provide a better understanding of the present scenario and future potential of the spin diode technology and suggest better ways to enhance the sensitivity of the device for real time applications.
Copyright (c) 2024 Rishma Thilakaraj, Kanimozhi Natarajan, Amuda Rajamani, Brinda Arumugam (Author) https://creativecommons.org/licenses/by/4.0
Comparative study of UV and Solar Transmittance for PEG/TEOS & PEG/PF-127/TEOS thin films
The transparent thin film coatings were spin-coated onto glass substrates using polymer-based silane. UV-visible and Fourier transform infrared spectroscopy were used to characterize the produced films. The PEG/TEOS and PEG/PF-127/TEOS films that were produced demonstrated good optical transmittance, with 90.84% and 94%, respectively. When compared to the bare glass substrate, the produced PEG/PF-127/TEOS film's transmittance rose by 3.59%. The transmittance of the produced coatings was also determined using solar insolation measurements. There was a good agreement between the UV-visible transmittance values and the estimated transmittance value using solar insolation readings for both coated and untreated surfaces.
Copyright (c) 2024 Chandralekha N.R, Shanthi J (Author) https://creativecommons.org/licenses/by/4.0
Electrochemical Impedance Spectroscopy Effects of Vanadium doped - Cobalt Ferrite Nanomaterials for Supercapacitor Applications
Vanadium-assisted cobalt ferrite nanoparticles generated using the co-precipitation process have better structural, morphological, and electrochemical properties than pure cobalt ferrite. The remarkable crystallinity of the cubic crystal structure was confirmed by X-ray diffraction (XRD) investigation. The use of field emission scanning electron microscopy (FESEM) demonstrated the presence of vanadium and consistent elemental composition with cobalt ferrite, while energy dispersive X-ray analysis (EDAX) verified the spherical nanoparticles with an average size of around 20 nm. Electrochemical impedance spectroscopy (EIS) indicated significant improvements in electrochemical performance, with a reduction in equivalent series resistance (ESR) from 1.54 Ω to 1.22 Ω and charge transfer resistance from 1.68 x 10⁻³ Ω to 1.5 x 10⁻³ Ω for V-doped CoFe₂O₄. Additionally, lower internal and Warburg resistance values were observed for V-doped CoFe₂O₄, suggesting efficient ion transport and storage capabilities. These findings highlight the potential of vanadium-doped cobalt ferrite nanostructures as promising materials for next-generation supercapacitors, addressing critical challenges in energy storage for renewable energy systems and portable electronics. Future studies should concentrate on refining the synthesis procedure and investigating other dopants in order to significantly improve the efficiency of supercapacitors based on cobalt ferrite.
Copyright (c) 2024 Gowrisankar G, Mariappan R, Emmanuvel Feon Ramesh, Abishek M, Prithisha M (Author) https://creativecommons.org/licenses/by/4.0
Effect of Two Different Deposition Temperatures on the Physical and Electrical Properties of the ZTO Thin Films For Solar Collector Applications
Semiconducting metal oxides have piqued researchers' attention in the realm of energy conversion due to their importance in primary research and future applications. The current study focused on the synthesis, preparation, and optimization of the physical and electrical properties of the direct and reverse ratios of the precursors (Zinc Acetate and Tin (II) Chloride) used to prepare ZTO substrates at two different deposition temperatures using spray pyrolysis technique. Zinc acetate is kept constant in the first set, whereas tin chloride is kept constant in the second set, and other components are altered from 0.05M to 0.25 in 0.05-step increments. The XRD study reveals that all spray-deposited ZTO thin films are polycrystalline in nature, with a preferred orientation along the (101) plane. From morphology studies observed that while the deposition temperature increased, smooth and uniform morphology is achieved. Optical studies show that the percentage of transmittance decreased while the deposition temperature increased. Hall Effect studies show that after changing the molar concentration as well as the deposition temperature there is change in conductivity and mobility values. Except for lower ratio films, the transmission percentage of ZTO films recorded in the visible area approaches 80%. The 3D laser profilometer results show that varying the starting materials' molarity (>Ra&Rz) and deposition temperature (<Ra&Rz) leads to changes in surface roughness and improved film growth.
Copyright (c) 2024 Kiruthiga G, Rajni K.S, Deepika C.R, Nandhakumar Eswaramoorthy, Vishnu Narayanan, Chandini Ragumoorthy (Author) https://creativecommons.org/licenses/by/4.0
Ultrahydrophobic Properties of Plasma Surface Modified Cotton Fabric
The superhydrophobic property of the fabric can be obtained by plasma techniques instead of using chemical methods. These chemical methods were very dangerous to the health of human as well as the environment. This article gives an idea for the fabrication of superhydrophobic fabric using oxygen plasma. In this paper the change in chemical and surface properties have been investigated by XPS, AFM, FE-SEM analysis. The elemental composition and presence of various functional groups were identified using EDAX and ATR-FTIR. The plasma species were observed using optical emission spectroscopy.
Copyright (c) 2024 Anupriyanka T, Shanmugavelayutham G (Author) https://creativecommons.org/licenses/by/4.0