Electrical Properties Of Materials Research Articles

Effect of biaxial tensile strain on the thermoelectric properties of monolayer ZrTiCO2

Using ab-initio calculation principle calculations, we investigate the effect of biaxial tensile strain on the stability and electronic properties of the two-dimensional double transition metal MXenes ZrTiCO2. The monolayer ZrTiCO2 has stability and semiconducting properties under different strain conditions. The results of thermoelectric properties under other strain conditions calculated by Boltzmann transport theory and Slack model show that biaxial tensile strain can improve the electrical transport properties of monolayer ZrTiCO2 materials and lead to the decrease of lattice thermal conductivity. The thermoelectric efficiency of a material can be evaluated using the figure of merit ZT. The n-type ZrTiCO2 has a maximum ZT value of 1.49 at 900 K without adding biaxial strain and reaches a ZT value of 2.86 with 2% biaxial strain. The monolayer ZrTiCO2 material has the potential to become a thermoelectric material, and its thermoelectric properties can be improved by biaxial tensile strain.

Effects of doping with selected rare-earth elements (Eu3+, Dy3+, Eu3+/Dy3+) on the structural characteristics as well as electrical and luminescent properties of K0.5Na0.5NbO3

The effects of adding Eu3+, Dy3+, and Eu3+/Dy3+ rare-earth elements on the microstructural, optical and electrical properties of lead-free piezoelectric materials based on K0.5Na0.5NbO3 (KNN) were investigated. A series of fine powders were synthesized via a modified Pechini route utilizing citric acid. Relatively large amounts of rare-earth elements were successfully incorporated into the crystal lattice of KNN. A combination of X-ray diffraction, X-ray absorption spectroscopy, energy-dispersive X-ray and scanning electron microscopy were used to characterize the structure and chemical composition of the powders and sinters. XRD patterns indicated the formation of a single-phase orthorhombic structure in the co-doped sinter. X-ray absorption spectroscopy revealed the nominal 3+ valence states of Eu and Dy in KNN ceramic sinters. The Mott model and group symmetry theory were used to discuss the characteristics of Raman spectra obtained for the EuDy:KNN ceramics. The ceramics exhibited good dielectric permittivity (ε≃1300) and low dielectric loss (tan δ=0.03) in the temperature range of 170–240°C. The electrical properties of the ceramics showed that the basic mechanism of conduction and relaxation was thermal activation, and that small polaron hopping was responsible for charge carrying. The Eu3+ and Dy3+ ions displayed characteristic red and orange emissions in sinters when excited with light in the wide ultraviolet spectra range (380–420 nm).

Understanding the microstructure evolution of carbon-doped Sb2Te3 phase change material for high thermal stability memory application

The Sb2Te3 phase change material shows a growth-dominated crystallization mechanism with fast phase transition but poor thermal stability of the amorphous state. This work investigated the effects of carbon doping on the thermal stability, microstructure, and electrical properties of the Sb2Te3 material. The 10-year data retention temperature of the material increased to ∼147.3 °C and the size of the grains was limited to ∼10 nm by carbon doping. The formation of the C cluster upon crystallization was found at the grain boundaries, which was accelerated as the temperature increased due to the break of the Sb–C bonds. The memory device based on the carbon-doped Sb2Te3 material exhibited a switching speed of 15 ns and an endurance of ∼105 cycles with a resistance ratio of more than two orders of magnitude. This work suggests that the carbon-doped Sb2Te3 material is a promising candidate for memory applications that require high thermal stability, fast speed, and high endurance.

Effect of Carbon dots in tuning molecular alignment, dielectric and electrical properties of a smectogenic cyanobiphenyl-based liquid crystal material

Abstract We demonstrate here the effect of dispersing organosoluble carbon dots (CDs, ∼7-8 nm) on tuning the molecular alignment, dielectric and electrical properties of smectic A (SmA) and nematic (N) mesophases of a thermotropic smectogenic LC material, 4-octyl-4′-cyanobiphenyl (8CB) in a planar anchored ITO sample cell using polarized optical microscopy and dielectric spectroscopic techniques. The cross-polarised optical textures clearly show that the doping of CDs (concentration ≥0.25wt%) in planar anchored 8CB, LC led to change its alignment from planar to vertical. Intrestingly, such induced vertical alignment remains stable throughout SmA and N phases of the 8CB, LC material. Moreover, the magnitude of real dielectric permittivity is found to increase with increasing concentration of CDs and exhibited vertical alignment values for composites (≥0.25wt%). The observance of short axis molecular relaxation for composites (≥0.25wt%) without the application of bias field affirmed again the induced vertical alignment. The accumulation of CDs at the substrate surface and their interaction with alignment and ITO layers could be attributed as an important factor for such induced vertical alignment. Electrical conductivity of 8CB is observed to increase significantly with the addition of CDs (i.e., an increment of up to two orders of magnitude in composites as compared to pure 8CB) and attributed to the lowering of viscosity and change in molecular alignment. We certainly believe that such tunable molecular alignment throughout SmA and N phases of thermotropic smectogenic liquid crystal material (8CB) by dopant CDs could pave the way forward for their applications in the flexible displays, biosensors, electro-optical memory, and other tunable photonic devices.

Photocatalytic activity of polyaniline‐potassium doped nickel oxide nanocomposites: A comprehensive investigation on multifaceted properties

AbstractPolyaniline‐potassium doped nickel oxide nanocomposites (PANI/KNO) were efficiently synthesized via an in situ chemical oxidation method, meticulously confirmed by comprehensive x‐ray diffraction, Fourier transformation infrared spectroscopy, energy dispersive x‐ray spectroscopy, selected area electron diffraction, and x‐ray photoelectron spectroscopy analyses. The crystallite size and strain exhibited distinct behaviors, while field emission scanning electron microscopy revealed a blend of irregular spherical shapes and nanofibers, further confirmed by high resolution transmission electron microscopy. These composites exhibited significantly enhanced thermal stability, surpassing PANI by 1.39 times, and showcased a band gap exceeding 3 eV, along with multiple photoluminescence peaks at room temperature (RT). Moreover, their RT AC conductivity experienced a remarkable surge by 4.91 times compared to pure polyaniline. Jonscher's Power Law model and the Havriliak–Negami relaxation model are employed to elucidate the electrical properties of composite materials. The composites displayed nonDebye relaxation behavior with increased conductivity, as observed through impedance analysis, electrical modulus evaluation, and dielectric constant assessment. Additionally, evident superparamagnetic properties and multiple magnetic domains further contributed to their effectiveness. The PANI/KNO composite demonstrated photocatalytic efficiency, achieving over 90% degradation of methylene blue dye across four cycles, thus highlighting its superior photostability. Furthermore, investigations into its response to pH variations and scavenger activity underscored its immense potential for highly effective photocatalytic applications.

Influence of TiO2 addition on the Mg4Nb2O9 ceramic phase and its application in the radiofrequency region

In this work, the dielectric properties of (1-x) Mg4Nb2O9 – (x) TiO2 composite ceramics in radiofrequency and the microwave region were evaluated. X-ray diffraction demonstrated that Mg4Nb2O9 (MNO) reacted with TiO2 resulting in the formation of new crystalline phase Mg5(Nb0.625Ti0.375)4O15. Complex Impedance Spectroscopy (CIS) analysis was realized to analysis the electrical properties of materials, whereas was observed that activation energy (Ea) decrease from 1.64 to 1.37 eV with an increase in TiO2 concentration. Temperature capacitance coefficient (TCC) was obtained and showed that at different frequencies all materials could be used as Class 1 ceramic capacitors according to EIA RS-198. In the Microwave region, MNO – TiO2 demonstrated ε’r between 12.07 (MNO) and 14.08 (MNO18T), tan δ values varying of 2.64 × 10-4 (MNO) up to 5.92 × 10−4 (MNOT14). Regarding the temperature coefficient of resonant frequency (τf) was observed that the values decreased with the increase in TiO2, with the value closest to zero being that of pure MNO (τf = −27 ppm.°C−1). The results presented show that materials evaluated could be utilized in devices that can be act in radio frequency (RF) and microwave (MW) regions.

Understanding the impact of modiolus porosity on stimulation of spiral ganglion neurons by cochlear implants

Moderate-to-profound sensorineural hearing loss in humans is treatable by electrically stimulating the auditory nerve (AN) with a cochlear implant (CI). In the cochlea, the modiolus presents a porous bony interface between the CI electrode and the AN. New bone growth caused by the presence of the CI electrode or neural degeneration inflicted by ageing or otological diseases might change the effective porosity of the modiolus and, thereby, alter its electrical material properties. Using a volume conductor description of the cochlea, with the aid of a ‘mapped conductivity’ method and an ad-hoc ‘regionally kinetic’ equation system, we show that even a slight variation in modiolus porosity or pore distribution can disproportionately affect AN stimulation. Hence, because of porosity changes, an inconsistent CI performance might occur if neural degeneration or new bone growth progress after implantation. Appropriate electrical material properties in accordance with modiolar morphology and pathology should be considered in patient-specific studies. The present first-of-its-kind in-silico study advocates for contextual experimental studies to further explore the utility of modiolus porous morphology in optimising the CI outcome.

Meter‐Scale Distance Manipulation of Diverse Objects with Jet‐Induced Airflow Field

In nature, wind can transport objects of diverse shapes and materials over long distances spanning meters or beyond. In contrast, most noncontact manipulation methods are effective only over centimeter‐scale distances and require the manipulated objects to have specific magnetic, electrical, or other material properties and shapes. Herein, a meter‐scale distance manipulation method is presented for controlling the motion of objects of diverse shapes and materials on a plane surface using a jet‐induced airflow field. The airflow field is varied by controlling the direction of a single air jet projected onto a surface based on the positions of objects to steer the objects to follow desired trajectories up to 2.7 m away. A wide variety of objects can be automatically manipulated, from regularly shaped polystyrene hemispheres and sticks to irregularly shaped cotton wads and face masks as well as deformable tissue papers and plastic bags. The method is also robust, effectively manipulating objects under challenging conditions, e.g., external airflow disturbances, surface obstacles, and air–water interface. Finally, three application cases are demonstrated: collecting diverse objects into a target receptacle, hooking and retrieving heavy objects with a tethered mobile agent, and closing an electrical circuit with an untethered soft agent.

Synthesis and Electrical Properties of a New Bipolar Material Using Spacer Moiety

To develop a deep-blue emitter, a molecule with bipolar characteristics was designed as a donor-spacer-acceptor type, in which 9-(4-(4,6-diphenyl-1),3,5-triazin-2-yl)-2,5-dimethylphenyl)-9H-carbazole (DTPCZ)—with carbazole as an electron donating group and a diphenyl triazine moiety as an electron accepting group—was successfully synthesized. The photoluminescence (PL) maxima of DTPCZ were 421 nm in the solution state and 425 nm in the film state, indicating emission in the deep-blue region. DTPCZ also exhibited high thermal stability, with a degradation temperature of 349 °C. To confirm the electroluminescence (EL) characteristics, DTPCZ was applied as a dopant at 10, 20, and 30 wt% in a blue-fluorescent organic light-emitting diode (OLED) device. The highest efficiency was achieved using the 20 wt% doped device, with a current efficiency of 1.2 cd/A, an external quantum efficiency of 2.3%, and a Commission Internationale de l’Eclairage proceedings y-value of 0.06. Thus, deep-blue emission could be realized in the film state. These molecular design strategies can be applied to various fields, such as organic semiconductors.

DFT study of mechanical, optoelectronic, and thermoelectric characteristics of double perovskites Li2CuTiZ6 (Z = Cl, Br, I) for energy harvesting technology

Recent studies have produced stable inorganic perovskites that contain no lead, replacing lead-containing perovskites' risky and unstable properties. The present investigation thoroughly examined the electrical behavior, elastic characteristics, optical features, and transport properties of Li2CuTlZ6 (Z = Cl, Br, I) halides in order to discover potential applications. The Wien2k code was utilized to apply density functional theory (DFT) in order to clarify these physical properties. Using the generalized gradient approximation (PBEsol-GGA), we determined structural parameters through the energy optimization procedure that corresponded with the available data. Additionally, elastic parameters as well as formation energies ranging between -2.33 to -1.39 eV were used to validate cubic durability for the two halides. Moreover, the modified Becke-Johnson (mBJ) potential successfully provided precise direct bandgap values for all halides. According to this study, the shift in anions from Cl to Br is responsible for the reduction in band gap within the infrared spectrum. Our computed optical parameter findings show that Li2CuTlCl6 and Li2CuTlBr6 halides demonstrate excellent optoelectronic efficiency with low reflection, strong optical absorption, and conductivity. The investigation clarifies that the temperature-dependent character of the materials electrical transport properties is due to their very small bandgap. These materials may find use in thermoelectric applications, as evidenced by the almost unity of the obtained figure of merit, which points to their semiconducting behaviour.

Nanomaterials for advanced energy applications: Recent advancements and future trends

Nowadays, one of the most promising and significant challenges for our society is achieving highly efficient energy utilization. To address the upcoming demands in energy applications, which demonstrate considerable potential for future trends, continuous efforts are necessary to develop improved and higher-performing inorganic multifunctional nanomaterials. Multifunctional inorganic nanomaterials have been extensively researched to meet the requirements of various energy applications or to enhance them further. Specific attention is given to inorganic nanomaterials for advanced energy storage, conservation, transmission, and conversion applications, which strongly rely on the optical, mechanical, thermal, catalytic, and electrical properties of energy materials. At the nanometer-scale range, triboelectric, piezoelectric, thermoelectric, electrochromic, and photovoltaic materials have made significant contributions to numerous energy sector applications. Functional inorganic materials possess unique properties, including excellent thermal and electrical conductivity, chemical stability, and a large surface area, which enhance their competitiveness in energy-related applications. Herein, recent research, development, and advances in inorganic multifunctional nanomaterials to enhance their performance are discussed, highlighting how devices combine the functionalities of nanomaterials. In this manner, we aim to provide insights into future applications and elucidate the ongoing research challenges currently facing this field.

Designs where disorder prevails.

A design strategy boosts electrical properties of ferroelectric materials and devices.

Giant Modulation of Refractive Index from Picoscale Atomic Displacements.

It is shown that structural disorder-in the form of anisotropic, picoscale atomic displacements-modulates the refractive index tensor and results in the giant optical anisotropy observed in BaTiS3, a quasi-1D hexagonal chalcogenide. Single-crystal X-ray diffraction studies reveal the presence of antipolar displacements of Ti atoms within adjacent TiS6 chains along the c-axis, and threefold degenerate Ti displacements in the a-b plane. 47/49Ti solid-state NMR provides additional evidence for those Ti displacements in the form of a three-horned NMR lineshape resulting from a low symmetry local environment around Ti atoms. Scanning transmission electron microscopy is used to directly observe the globally disordered Ti a-b plane displacements and find them to be ordered locally over a few unit cells. First-principles calculations show that the Ti a-b plane displacements selectively reduce the refractive index along the ab-plane, while having minimal impact on the refractive index along the chain direction, thus resulting in a giant enhancement in the optical anisotropy. By showing a strong connection between structural disorder with picoscale displacements and the optical response in BaTiS3, this study opens a pathway for designing optical materials with high refractive index and functionalities such as large optical anisotropy and nonlinearity.

Synaptic Plasticity and Visual Memory in a Neuromorphic 2D Memitter Based on WS2 Monolayers

AbstractNeuromorphic computing aims to leverage physical phenomena of adaptive materials for emulating information processing capabilities and effectiveness of biological neuronal circuits. In this framework, memristors (resistors with memory) based on 2D materials are demonstrated for the hardware implementation of highly integrated artificial neural networks. All the works reported thus far exploited electrical properties of 2D materials to emulate neuromorphic functionalities. Here, a 2D memitter (emitter with memory) is reported on that exploits the stimuli‐responsive photoluminescence of a monolayer WS2 for neuromorphic‐type of data processing. A combined experimental and modeling approach reveals that photoluminescent dynamics triggered by optical stimulation emulates Short‐Term synaptic Plasticity and Visual Short‐Term Memory typical of biological systems. While spatio‐temporal processing capabilities of input signals can be used for information processing in the context of reservoir computing, the capability of the 2D memitter of sensing, processing, and memorizing‐forgetting optical inputs in the same physical substrate can be utilized for in‐sensor computing.

Structure-property connections in dual-phase multifunctional barium titanate based nanocomposites: Insights from charge density distributions

This article presents a comprehensive investigation of dual-phase nano (BaTiO3) - (ZnFe2O4) ceramic composites prepared via a physical mixing route. The qualitative charge density analysis was conducted using Fullprof refinement data, and the results were visualized in 2D and 3D using VESTA software. The atomic bonding of the composite was examined through charge density analysis, focusing on the 1D electron density profile. This analysis was compared with the molecular elastic parameters obtained from previous research using FTIR data on the same composite. The optical properties of the composite were characterized to determine optical conductivity, refractive index, Urbach energy, surface optical effect (SELF, VELF), and optical dielectric constants. The P-E hysteresis loop analysis is conducted to understand the deviations from the expected ferroelectric loop, indicating the presence of lossy capacitance due to field discharge by the conductive ferrite phase, underscoring the dynamic nature of the material's electrical properties. Comprehensive magnetic characterization revealed soft ferromagnetic behavior with intricate magnetic interactions. Correlations between observed physical properties were explored to gain insights into the theoretical changes in charge density, which are responsible for the optical behavior of the composite. The unique approach employed in this study provides valuable information on the charge density distribution and atomic bonding of the composites, highlighting their potential applications in magneto-electric and photonic devices.

Room temperature photosensitive ferromagnetic semiconductor using MoS2

Two-dimensional semiconductors, including transition metal dichalcogenides (TMDs), are of interest in electronics and photonics but remain nonmagnetic in their intrinsic form. Atomic modulation using physical and chemical ways is an effective means to control the physical properties such as magnetic and electrical properties of two-dimensional materials which can be controlled by irradiation. Here we treat mechanically exfoliated MoS2 with a helium ion beam, which exhibits semiconducting and ferromagnetic ordering at room temperature, while Monte Carlo simulations and theoretical calculations confirmed that the control of nanoholes result in the presence of magnetism. In addition, the irradiation results of multilayer MoS2 show that the magnetic moment increases with the increase of 10 layers. The conductivity remains virtually unchanged before and after being treated by a helium ion beam. The treated MoS2 spintronic device displays the switch of ‘on/off” under the light, magnetic field, and/or electric field, which means 2D photosensitive ferromagnetic semiconductor functions are successfully demonstrated at room temperature.

Tailoring the graphene framework by embedding Nb2O5 and silver nanoparticles for electrodes in energy storage applications

In this study, Nb2O5/GNs and Ag/GNs-based nanocomposites were synthesized via a facile single-step hydrothermal approach. Using scanning electron microscopy (SEM), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), Raman spectroscopy, fourier-transform infrared (FTIR) spectroscopy, and UV–vis spectroscopy, the morphology, functional groups, structure, and optical and electrical properties of the as-prepared materials were examined. XPS studies show the predominant signal at 284.8 eV is attributed to the sp2 carbon atoms (C 1) that comprise graphitic areas, indicating that the majority of the C atoms are arranged in a honeycomb lattice. FTIR spectrum confirms bonding, such as CO, CH2, CO, CC, OH, AgO, and NbONb in the nanocomposite. Further, the specific capacitance (Csp) of the Nb2O5/GNs and Ag/GNs was calculated 603 Fg−1 and 810 Fg−1 at different current densities, The Nb2O5/GNs exhibit 109 Wh/kg and 2180 W/kg energy and power density, respectively. However, the Ag/GNs electrode exhibited an energy density of 145.8 Wh/kg and a power density of 3645 W/kg, with cyclic stability retentions of 93.06 % and 97.02 %, respectively. The capacitance retention finished at 1000 cycles. Moreover, the achieved resistance from the I–V characteristics curve shows enhanced electrical conductivity of synthesized nanocomposites. These results suggested that the materials can have bright future in next-generation energy storage devices.

Combustion-Assisted construction of Defect-Enriched hierarchical carbon composites towards efficient Low-Frequency electromagnetic wave absorption

Due to the high intrinsic conductivity of graphitized carbon-based composite materials, it induces a serious skin effect of incident electromagnetic waves, which deteriorates impedance matching and limits the wave absorption performance in the low-frequency regions. The introduction of defects can change the electrical and physical and chemical properties of carbon-based materials, affect the density of skin current, and thereby improve the overall performance of carbon-based absorbers. Therefore, it is important to develop a simple, low-cost, and fast preparation method for defect-rich structures. Herein, the defect-enriched hierarchical composites have been synthesized successfully via the soaking-burning-annealing process. The combustion treatment introduced numerous defects and oxygen vacancies while inducing a non-graphitization transition that reduced conductivity and improved electromagnetic balance in the low-frequency region. As expected, the charred sample exhibited notable enhancements in reflection loss (RL) and the effective absorption bandwidth within the low-frequency range of 2–8 GHz. The value of RL reached −52.2 dB, marking a 199 % increase over the unburned sample, while the effective absorption bandwidth increased by 28 % to 2.70 GHz. Even at a filling rate of only 10 %, the RLmin values of the optimal sample were lower than −30 dB across the S, C, X, and Ku bands. Additionally, the combination-induced defects led to phonon scattering, thereby reducing the thermal conductivity of the material. Thus, combustion can enhance the low-frequency microwave properties and thermal insulation of carbon-layered composites.

The impact of post-deposition annealing durations on the formation of Tb4O7 passivation layer on silicon substrate

In this study, we have effectively utilized radio frequency (RF) sputtering to sputter the Tb4O7 passivation layer on an n-type silicon (Si) substrate in an argon (Ar) ambient. Various characterization approaches were used to investigate the impact of varying annealing durations on structural, morphological, compositional, and optical properties. The grazing incidence X-ray diffraction (GIXRD) pattern confirmed that all investigated Tb4O7 passivation layers (as grown) and annealed at (15, 30, and 45 min) showed a crystalline structure, respectively. As observed, the sample annealed for 30 min attained the highest crystallinity, around 39.51 nm. Surface morphology analysis revealed different surface structures in response to different annealing durations when observed using the field emission scanning electron microscopy (FESEM) technique. Atomic force microscopy (AFM) was utilized to investigate the top surface of the examined samples, and a higher surface roughness of around 2.37 nm was obtained for the sample annealed for 30 min. The band gap energies (Eg) were estimated by applying the Kubelka-Munk (KM) approach for all the investigated samples, and the obtained values were within a range between (1.94–3.07 eV) earlier reported in the literature. Previous studies have shown that the Tb4O7 passivation layer deposited onto Si substrates using RF sputtering and then annealed for 5 min at 900 °C in an Ar atmosphere, resulted in the formation of a highly crystalline passivation layer. However, there is a lack of a clear explanation for the observation, and the authors mainly concentrated on the electrical properties of the Tb4O7 material. This inspired us to carry out this study to investigate the impact of various annealing durations on the formation of Tb4O7 passivation layers, focusing on their structure, composition, morphology, and optical properties.

Effect of Fe doped Co–Ni protective coatings on the oxidation behavior and electrical properties of SOFC alloy interconnect materials

In order to enhance the oxidation resistance and electrical properties of interconnects for solid oxide fuel cells (SOFCs), three Co–Ni alloy coatings with varying contents of Fe doping were prepared onto SUS 430 substrate using electroplating method and oxidized in air at 800 °C for 1000 h. The experimental results demonstrated that the alloy coating significantly enhanced both the oxidation resistance and electrical properties of the interconnect substrate. The multi-layer oxidation structure blocked Cr from diffusing outward. Notably, the (Co,Fe)3O4/(Ni,Co)O in the oxidized layer of 5% Fe doped Co–Ni coated steel completely transformed into (Fe,Co,Ni)3O4 spinel layer after long term oxidation, which had the lowest activation energy and the strongest ability of restricting oxygen diffusion inward. Thus, the 5% Fe doped Co–Ni coated steel showed superior oxidation resistance (kp = 8.76 × 10−14 g2 cm−4 s−1) and excellent electrical properties (ASR = 13.19 mΩ cm2) following oxidation for 1000 h.