Conductivity Coefficient Research Articles

Study of Near Band Edge Emission Spectra and Conductivity Transformation in Fe‐Doped Cadmium Telluride Nanoparticles for the Device Applications

AbstractThe research work discussed here explains the near band edge emission and conductivity transformation of the Fe‐doped CdTe nanoparticles synthesized by hydrothermal method by using an autoclave. The size of the undoped CdTe nanoparticles is found to be 5.48, 8.45, 9.40, and 14.79 nm, respectively for the nanoparticles collected at 15, 30, 45, and 60 minutes of duration of the synthesis. Whereas for the Fe‐doped CdTe nanoparticles, the size is found to be 12.81, 16.9, and 18.5 nm, respectively for the 10%, 20%, and 30% Fe concentrations as doping elements in CdTe nanoparticles. The XPS spectra clearly show the successful doping of Fe in the CdTe QDs and also the orbital state of Fe in CdTe. The EDAX spectra is taken to trace the elements present in the synthesized nanoparticles. From the UV–vis absorption spectrum, the band gap is found to decrease when doped with Fe in different concentrations. Also, an appreciable blue shift is found in the as synthesized undoped and Fe‐doped CdTe NPs. A near band edge emission property is observed for the Fe‐doped CdTe NPs when doped with different Fe concentrations. The van der Pauw Hall measurement technique is employed to study the electrical properties such as conductivity, carrier concentration, mobility, and Hall coefficient of the undoped and Fe‐doped CdTe nanoparticles. The consistent p‐type conductivity is observed for the undoped CdTe nanoparticles till the time duration of 45 minutes of synthesis. When doped with Fe in 30% concentration, the type of conductivity is found to transform from p‐type to n‐type. The luminescence property between 450 and 500 nm makes these materials suitable for device applications like light‐emitting diodes. Also, the study of Hall measurement here explains the application of these materials as photovoltaic cells.

First-principles calculations to investigate optoelectronic of transition-metal half-Heusler alloys MTiSn (M = Pd and Pt) for optoelectronics applications

The structural, mechanical, optical, and electronic properties of half-Heuslers MTiSn (M = Pd and Pt) are investigated using FP-LAPW incorporating the GGA-PBE. MTiSn crystallize in ferromagnetic (FM) and cubic structure (F-43m; C1b) with lattice constants of 6.216 Å and 6.241 Å, respectively, in good agreement with the available data. Elastic constants Cij reveal that MTiSn meet the mechanical stability criteria with notable thermodynamic properties. Also, we have conducted a detailed analysis of optical properties, encompassing the dielectric function, absorption coefficient, optical conductivity, optical refractivity, and extinction coefficient. It is found that PtTiSn shows higher optical responses than PdTiSn at low and high energy ranges. In terms of electronic properties, MTiSn demonstrate narrow bandgap semiconductor characteristics with an indirect bandgap of Eg = 0.507 eV (M = Pd) and Eg = 0.782 eV (M = Pt). The notable optoelectronic responses have also been examined, indicating the high potential of MTiSn materials for optoelectronic applications.

The effect of oxygen vacancies on the optical and thermophysical properties of (1-x)Si3N4 – xAl2O3 ceramics

Interest in composite ceramics based on silicon nitride (Si3N4) and aluminum oxide (Al2O3) is due to the possibility of using them as semiconductor applications associated with their operation under conditions of external influences, including heating. The paper presents the results of assessing the influence of variations in the phase composition of (1-x)Si3N4 – xAl2O3 ceramics on alterations in optical and thermophysical parameters, as well as their relationships. Analysis of the optical characteristics of the ceramics under study showed that changes in the phase composition associated with the dominance of the Al2O3 phase in the composition of the ceramics lead to a change in covalent bonds and an increase in the number of ionic bonds, which also affects the change in the semiconductor nature of the ceramics, and therefore, a change in the thermophysical properties. According to the assessment of changes in the thermal conductivity coefficient of the studied ceramics, with the dominance of the Al2O3 phase in the composition, the observed growth in the concentration of structural defects, as well as oxygen vacancies, results in the thermal conductivity coefficient decrease, as well as an elevation in the thermal expansion of ceramics during thermal heating. It has been determined that the presence of a combination of Al2(SiO4)O and Si3N4 phases in the ceramic composition leads to an increase in the thermal conductivity coefficient, as well as maintaining its stability over a wide temperature range.

Study on solidification organization and phase formation of Fe-6.5wt.%Si high silicon steel by arc melting and heat treatment

Abstract The solidification microstructure and phase formation behavior of Fe-6.5wt.%Si high silicon steel was investigated using arc melting and heat treatment. The alloy phase composition and microstructure were analyzed by XRD and SEM. The magnetic performance was measured at a high- and low-temperature vibration sample magnetometer. The results show that the temperature gradient causes alloy ingot to be roughly divided into three layers. With the decrease in temperature, from the bottom to the top, the phase morphology is fine crystals, columnar internal dendrites, and isoaxial internal dendrites. In the annealing ring ingot, the inner dendrites disappeared, and from the bottom to the top of the sample, the microstructure changed from fine crystal, columnar crystal, and isoaxial crystal, to micro-cracks, which first increased and then reduced. The hysteresis loop curve width of the alloy is narrow, the slope is large, the hysteresis is 0.126 emu/g, and the magnetic utilization after annealing decreases to 0.0667 emu/g, but the coercive force increases to 2.8 Oe/g, and the annealed alloy is more sensitive to the magnetic field and has a high magnetic conductivity coefficient.

Natural Deep Eutectic Solvent-Assisted Construction of Silk Nanofibrils/Boron Nitride Nanosheets Membranes with Enhanced Heat-Dissipating Efficiency.

Natural polymer-derived nanofibrils have gained significant interest in diverse fields. However, production of bio-nanofibrils with the hierarchical structures such as fibrillar structures and crystalline features remains a great challenge. Herein, an all-natural strategy for simple, green, and scalable top-down exfoliation silk nanofibrils (SNFs) in novel renewable deep eutectic solvent (DES) composed by amino acids and D-sorbitol is innovatively developed. The DES-exfoliated SNFs with a controllable fibrillar structures and intact crystalline features, novelty preserving the hierarchical structure of natural silk fibers. Owing to the amphiphilic nature, the DES-exfoliated SNFs show excellent capacity of assisting the exfoliation of several 2D-layered materials, i.e., h-BN, MoS2, and WS2. More importantly, the SNFs-assisted dispersion of BNNSs with a concentration of 59.3% can be employed to construct SNFs/BNNSs nanocomposite membranes with excellent mechanical properties (tensile strength of 416.7MPa, tensile modulus of 3.86GPa and toughness of 1295.4 KJ·m-3) and thermal conductivity (in-plane thermal conductivity coefficient of 3.84 W·m-1·K-1), enabling it to possess superior cooling efficiency compared with the commercial silicone pad.

Construction of mathematical models of thermal conductivity for modern electronic devices with elements of a layered structure

This paper considers a heat conduction process for isotropic layered media with internal thermal heating. As a result of the heterogeneity of environments, significant temperature gradients arise as a result of the thermal load. In order to establish the temperature regimes for the effective operation of electronic devices, linear and non-linear mathematical models for determining the temperature field have been constructed, which would make it possible to further analyze the temperature regimes in these heat-active environments. The coefficient of thermal conductivity for the above structures was represented as a whole using asymmetric unit functions. As a result, the conditions of ideal thermal contact were automatically fulfilled on the surfaces of the conjugation of the layers. This leads to solving one heat conduction equation with discontinuous and singular coefficients and boundary conditions at the boundary surfaces of the medium. For linearization of nonlinear boundary value problems, linearizing functions were introduced. Analytical solutions to both linear and nonlinear boundary value problems were derived in a closed form. For heat-sensitive environments, as an example, the linear dependence of the coefficient of thermal conductivity of structural materials on temperature, which is often observed when solving many practical problems, was chosen. As a result, analytical relations for determining the temperature distribution in these environments were obtained. Based on this, a numerical experiment was performed, and it was geometrically represented depending on the spatial coordinates. This proves that the constructed linear and nonlinear mathematical models testify to their adequacy to the real physical process. They make it possible to analyze heat-active media regarding their thermal resistance. As a result, it becomes possible to increase it and protect it from overheating, which can cause the destruction of not only individual nodes and their elements but also the entire structure

The Conductance and Thermopower Behavior of Pendent Trans-Coordinated Palladium(II) Complexes in Single-Molecule Junctions.

The present work provides insight into the effect of connectivity within isomeric 1,2-bis(2-pyridylethynyl)benzene (bpb) palladium complexes on their electron transmission properties within gold|single-molecule|gold junctions. The ligands 2,2'-((4,5-bis(hexyloxy)-1,2-phenylene)bis(ethyne-2,1-diyl))bis(4-(methylthio)pyridine) (Lm ) and 6,6'-((4,5-bis(hexyloxy)-1,2-phenylene)bis(ethyne-2,1-diyl))bis(3-(methylthio)pyridine) (Lp ) were synthesized and coordinated with PdCl2 to give the trans-Pd(Lmorp )Cl2 complexes. X-ray photoelectron spectroscopy (XPS) measurements shed light on the contacting modes of the molecules in the junctions. A combination of scanning tunneling microscopy-break junction (STM-BJ) measurements and density functional theory (DFT) calculations demonstrate that the typical lower conductance of meta- compared with para-connected isomers in a molecular junction was suppressed upon metal coordination. Simultaneously there was a modest increase in both conductance and Seebeck coefficient due to the contraction of the HOMO-LUMO gap upon metal coordination. It is shown that the low Seebeck coefficient is primarily a consequence of how the resonances shift relative to the Fermi energy.

Effect of welding parameters on microstructure and mechanical properties of dissimilar AISI 304/ductile cast iron fusion welded joints

Problems associated with dissimilar fusion welding are mainly originated from the differences in melting points, coefficients of thermal conductivity and thermal expansion, …etc., and carbon content when welding dissimilar ferrous materials. In this study, the problems associated with dissimilar fusion welding of stainless steel AISI304 with ductile cast iron DCI grade A536 were investigated. Using shielded metal arc welding (SMAW) process, various welding parameters were studied to investigate the successful/accepted dissimilar welded joint(s). Welding electrodes and welding techniques were the main studied parameters. Microstructural and mechanical investigations were carried out for welded joints under different welding parameters. Tensile, impact and hardness tests coupled with optical and scanning electron microscopic examinations with EDX analysis were made for metallurgical and mechanical evaluations of welded joints. This extensive study could solve the problem of dissimilar welding between ductile cast iron and 304 stainless steel. The main results showed that joints welded by ENiCrFe-3 electrode in root pass and ENiFe-CI in filling passes were the successful dissimilar welded joints with 422 MPa tensile strength which represents 104% of annealed DCI base metal and without any changes in toughness properties, where toughness at HAZ of DCI was 18 J. High Ni content in weld metal increased the strength, ductility and reduced the weld metal dilution.

Activating Redox Kinetics of Li2S via Cu+, I- Co-Doping Toward High-Performance All-Solid-State Lithium Sulfide-Based Batteries.

All-solid-state lithium sulfide-based batteries (ASSLSBs) have drawn much attention due to their intrinsic safety and excellent performance in overcoming the polysulfide shuttle effect. However, the sluggish kinetics of Li2S cathode severely impede commercial utilization. Here, a Cu+, I- co-doping strategy is employed to activate the kinetics of Li2S to construct high-performance ASSLSBs. The electronic conductivity and Li-ion diffusion coefficient of the co-doped Li2S are increased by five and two orders of magnitude, respectively. Cu+ as a redox medium greatly improves the reaction kinetics, which is supported by ex situ X-ray photoelectron spectroscopy. Density functional theory calculation (DFT) shows that Cu+, I- co-doping reduces the Li-ions diffusion energy barrier. The co-doped Li2S exhibits a remarkable improvement in capacity (1165.23 mAh g-1 (6.65 times that of pristine Li2S) at 0.02 C and 592.75 mAh g-1 at 2 C), and excellent cycling stability (84.58% capacity retention after 6200 cycles at 2 C) at room temperature. Moreover, an ASSLSB, fabricated with a lithium-free (Si─C) anode, obtains a high specific capacity of 1082.7 mAh g-1 at 0.05 C and 97% capacity retention after 400 cycles at 0.5 C. This work provides a broad prospect for the development of ASSLSBs with practical energy density exceeding that of traditional lithium-ion batteries.

The influence of stochastic interface defects on the effective thermal conductivity of fiber-reinforced composites

In this paper, a novel microscopic modeling strategy is proposed to investigate the effective thermal conductivity of composites with consideration of stochastic interface defects. To this end, the subdomain boundary element method combined with asymptotic homogenization is proposed to effectively solve the thermal conduction problem. In order to accurately capture the heat flux on the boundary and the internal region in the representative volume element (RVE), a parameterized sub-cell is constructed to discretize the RVE. On this basis, the influence of stochastic interface defects on the thermal conductivity of composites is investigated by utilizing the Monte Carlo method. Specifically, the effect of the location, length, thickness, and area of the interface defects on the thermal conductivity is investigated. A proportional decrease in the transverse thermal conductivity coefficient is found for interface defect areas ranging from 1% to 10%.

Iron-vanadium redox flow batteries electrolytes: performance enhancement of aqueous deep eutectic solvent electrolytes via water-tuning

Deep eutectic solvents (DES) are being recognized as a highly promising electrolyte option for redox flow batteries. This study examines the impact of modifying the molar ratio of water to a DES consisting of urea and choline chloride on important measures of electrolyte performance, such as viscosity, cyclic voltammetry, and impedance spectroscopy. According to the findings, when the molar ratio of water to DES is 1:3, the viscosity of the electrolyte falls by 75 %, the peak current density increases by 5–9.5 times, the ionic conductivity increases by 5–10 times, and the ohmic resistance decreases by 60–90 %. This approach greatly enhances the conductivity and diffusion coefficient of the electrolyte, resulting in a novel, cost-effective, and highly efficient electrolyte for iron-vanadium redox flow battery applications. This study enhances the efficiency of DESs at the molecular level, establishing the foundation for future extensive implementations.

Effect of Microwave Radiation on the Properties of Hydrogel, Cork, Perlite, and Ceramsite.

The present work analyzes the effect of releasing physically bound water from hydrogel, cork, perlite, and ceramsite on materials exposed to microwave radiation and subsequently investigates possible changes in the physical properties of these materials (water absorption and thermal conductivity coefficient). The release of physically bound water from individual materials has potential practical applications in materials engineering, for example, in the internal curing of concrete, where individual aggregates could, under the influence of microwave radiation, release water into the structure of the concrete and thus further cure it. Experimental analysis was carried out with samples of the above-mentioned materials, which were first weighed and then immersed in water for 24 h. Then, they were weighed again and exposed to microwave radiation. After exposure, the samples were weighed again, left immersed in water for 24 h, and weighed again. The focus of the study was on the ability of the aggregates to release water due to microwave radiation and on the changes in the properties (water absorption, thermal conductivity coefficient) of these materials when exposed to microwave radiation. The samples were further monitored by digital microscopy for possible changes in the surface layer of the materials. The hydrogels show the highest water absorption (1000%) and the fastest water release (45 min to complete desiccation). After the release of water due to microwave radiation, their ability to absorb water is maintained. Of interest, however, is that in the case of almost complete removal of water from the soaked hydrogel, the original powdered state of the hydrogel is not obtained, but the outcome has rather a solid structure. In the case of cork, the water absorption depends on the fraction of the material.

Analysis of Entropy Generation via Non-Similar Numerical Approach for Magnetohydrodynamics Casson Fluid Flow with Joule Heating.

This analysis emphasizes the significance of radiation and chemical reaction effects on the boundary layer flow (BLF) of Casson liquid over a linearly elongating surface, as well as the properties of momentum, entropy production, species, and thermal dispersion. The mass diffusion coefficient and temperature-dependent models of thermal conductivity and species are used to provide thermal transportation. Nonlinear partial differential equations (NPDEs) that go against the conservation laws of mass, momentum, heat, and species transportation are the form arising problems take on. A set of coupled dimensionless partial differential equations (PDEs) are obtained from a set of convective differential equations by applying the proper non-similar transformations. Local non-similarity approaches provide an analytical approximation of the dimensionless non-similar system up to two degrees of truncations. The built-in Matlab (Version: 7.10.0.499 (R2010a)) solver bvp4c is used to perform numerical simulations of the local non-similar (LNS) truncations.

CMAS resistance characteristics of Gd2(Hf0.7Ce0.3)2O7 thermal barrier material at 1300 °C and 1400 °C

The corrosion resistance to calcium‑magnesium‑aluminum-silicate (CMAS) is a key property affecting the long-term durability of thermal barrier coatings (TBCs). Meanwhile, rare-earth hafnates are considered promising TBC candidates due to their low thermal conductivity and suitable thermal expansion coefficients. Thus, this study explores the CMAS corrosion resistance of Gd2(Hf0.7Ce0.3)2O7 (GH7C3) ceramic material under different conditions and compares it with the binary system Gd2Hf2O7 (GH) ceramic material. The findings indicate that GH7C3 can react chemically with CMAS and rapidly form a dense apatite crystalline layer at the interface between GH7C3 ceramic and CMAS, providing excellent CMAS resistance. Furthermore, the composition of the remaining CMAS melt Furthermore, the composition of the remaining CMAS melt undergoes compositional changes upon interaction, ultimately forming spinel in Mg and Al-enriched regions. In the meantime, CeO2 can promote the rapid formation of apatite crystals, significantly enhancing the CMAS resistance of GH7C3 to CMAS at high temperatures compared to GH.

Structure and Physicochemical Properties of Solutions of Lithium Polysulfides in Tetrasolvate of Lithium Perchlorate with Sulfolane Molecular Dynamics Modeling.

Lithium polysulfides are intermediate products formed during the discharge and charge of lithium-sulfur batteries and have good solubility in electrolyte solutions. Therefore, the properties and structure of solutions of lithium polysulfides in electrolyte solutions affect the energy characteristics of the lithium-sulfur battery. In this work, the structure and physicochemical properties (density, ionic conductivity, and self-diffusion coefficients) of solutions of lithium disulfide, tetrasulfide, and octasulfide in lithium perchlorate tetrasolvate with sulfolane in a wide range of concentrations (0.2-12 M) were studied using the molecular dynamics method. With increasing concentrations of lithium polysulfides, the proportion of sulfur atoms in the coordination sphere of the lithium cation increases and the proportion of sulfolane molecules decreases. It has been established that the ability of the polysulfide anion to act as a bridging ligand leads to the formation of clusters, including lithium perchlorate, lithium polysulfides, and sulfolane. It has been shown that the tendency to form clusters increases with an increasing number of sulfur atoms in the polysulfide anion. At high concentrations of lithium polysulfides, regardless of their size, the electrolyte system becomes a single cluster. With an increase in the concentration of lithium polysulfides in the electrolyte system, its density increases and the ionic conductivity and diffusion coefficients of the system components decrease.

Unveiling the Triple Diffusion Bioconvective Applications for Couple Stress Nanofluid Due To an Oscillating Regime with Variable Thermal Features

Thermal engineering and industrial processes see various multidisciplinary applications due to the enhanced thermal performances of nanomaterials. The nanomaterials preserve a profound breakthrough in enhancing the heat transfer phenomenon. The objective of the current investigation is to address the thermal applications of couples-stress nanofluid in the presence of triple diffusion effects. The analysis is subject to the bioconvective significance of the suspension of microbes. The viscosity and thermal conductivity of a couple stress fluids are assumed to be variable. Moreover, we endorse linear thermal radiation effects and approach the problem with an effective Prandtl number. The source of flow is an oscillatory, porous stretching surface. Based on suggested flow assumptions, the model is represented via nonlinear couple partial differential equations (PDEs). We employ the homotopy analysis scheme to forecast the analytical simulations. The physical outcomes for the involved parameters are observed for the modeled problem. Various aspects based on the deduced results are claimed. Based on the performed analysis, it is observed that the magnitude of skin friction decreases due to variations in the couple-stress fluid parameter. The heat increases with the modified Dufour number and variable thermal conductivity coefficient. Furthermore, an increasing behavior of nanoparticle solutal concentration has been observed due to the Dufour-Lewis number.

Exploring high-performance environmental barrier coatings for rare earth silicates: A combined approach of first principles calculations and machine learning

RE2Si2O7 is promising materials for environmental barrier coating (EBC), but the vast phase space poses challenges for the screening of RE2Si2O7. It follows that a combined approach of first principles calculations and machine learning is proposed for this problem, with establishing a comprehensive database comprising β-, γ- and δ-RE2Si2O7 (RE=La–Lu, Y, Sc) and correlating their mechanical/thermal properties on structural characteristics. It is revealed the [O3Si–O–SiO3] structure and polyhedron distortion affect mechanical properties of RE2Si2O7, while criteria for selecting RE2Si2O7 with low thermal conductivity are identified, including complex crystal structures, chemical bond inhomogeneity, and strong non-harmonic lattice vibrations. Also, the machine learning model accurately predicts the coefficient of thermal expansion (CTE) and minimum thermal conductivity (λmin) of RE2Si2O7, with volume and mass variations identified as critical factors, respectively. This integrated approach efficiently screens RE2Si2O7 for EBC application and enables rapid assessments of their thermal properties.

Patchwork Conditions for Holographic Nonlinear Responses: A Computational Method of Electric Conductivity and Friction Coefficient

Patchwork Conditions for Holographic Nonlinear Responses: A Computational Method of Electric Conductivity and Friction Coefficient

Highly Transmittance, Mechanical, Thermally Stable Silver Nanowires Network Using ZnO Nanoparticles.

This research addresses challenges with silver nanowires (Ag NWs) as transparent conductive electrodes (TCEs) and heaters in commercial devices. Here, zinc oxide nanoparticles (ZnO NPs) are first reported as a protective layer for Ag NWs. Multi-physics simulations confirm enhanced thermal stability due to improved heat dissipation, temperature distribution, and thermal conductivity from ZnO. When Ag NWs are surrounded by air, heat transfers mainly through convection and radiation because of air's low conduction coefficient. Encasing Ag NWs in ZnO enhances heat transfer to the ZnO surface, accelerating cooling and dissipating more heat into the atmosphere via convection. The results show composite's efficiency in the Joule effect, maintaining a consistent temperature of 78°C for 700s after 500 bending cycles, a significant improvement over Ag NWs operating for only 5s at 80°C. Additionally, the composite film exhibited exceptional performance, including a sheet resistance of 9.8Ωsq-1 and an optical transmittance of 96.96 %, outperforming Ag NWs, which have a sheet resistance of 12Ωsq-1 and a transmittance of 94.11%. The combination of enhanced electrical, thermal, and mechanical stability, along with impressive optical properties, makes Ag NWs/ZnO NPs a promising candidate for transparent conductive electrode materials in various applications.

Impact of various heat sources on the transient heat transfer rate in a 3D cylinder consisting of parts with different thermal conductivity coefficients

Numerical analysis of time-dependent conductive heat transfer in three-dimensional solid bodies with a heat source is important in their use in various industries. In this article, an attempt has been made to investigate this issue for a cylinder consisting of four equal pieces with different thermal conductivity coefficients and heat sources, and conclusions have been drawn. The geometry of the cylinder consists of two lower (first) and upper (second) layers. In the lower layer of two solid bodies, one is a piece of rubber with a thermal conductivity coefficient of K1=0.16 w/m○k and the other is a piece of walnut wood with a thermal conductivity coefficient of K2=0.077 w/m○k and two solid objects are used in the upper layer. One is a piece of polyurethane with a thermal conductivity coefficient of K3=0.02 w/m○k and the other is a piece of cork with a thermal conductivity coefficient of K4=0.04 w/m○k. There are four heat source mechanisms: constant value, linear, quadratic, and sinusoidal or periodic heat source with a certain frequency. All the surfaces of the cylinder walls in the time interval 0 ≤ t ≤ 10 s10, T=0 are assumed. The obtained results show that the temperature distribution when the value of the heat source is constant affects a larger area, and the highest increase in temperature in the direction of the z-axis belongs to the constant, quadratic, sinusoidal and linear heat source, respectively.