Charge Transport Mechanism Research Articles

Structural, Solvent, and Temperature Effects on Protein Junction Conductance.

Cytochrome b562 is a small redox-active heme protein that has served as an important model system for understanding biological electron transfer processes. Here, we present a comprehensive theoretical study of electron transport mechanisms in protein-metal junctions incorporating cytochrome b562 using a multi-scale computational approach. Employing molecular dynamics (MD) simulations, we generated junction geometries for both vacuum-dried and solvated conditions, with the protein covalently bound to gold contacts in various configurations. Coherent tunneling, described by the Landauer-Buttiker formalism within the density functional theory (DFT) framework, is compared to the incoherent hopping charge transport mechanism captured by the semi-classical Marcus theory. The tunneling was identified as the dominant mechanism explaining the experimental data measured on the cytochrome b562 junctions, exhibiting exponential yet very shallow distance dependence. While the structural orientations and protein contacts with the electrodes influence the junction conductance significantly, the solvation effects are relatively small, affecting the electronic properties mostly via the adsorption arrangement. On the other hand, the considerable temperature dependence of the conductance was found strong only for hopping, while the tunneling current magnitudes remain practically unaffected and are a good indicator of the coherent mechanism in this case.

Controllability of optical, electrical, and magnetic properties of synthesized Cd-doped MgFe2O4 nanostructure

This study explores the synthesis of cadmium-magnesium co-doped magnesium ferrite (Mg1+xCdxFe2–2xO4, 0.00 ≤ x ≤ 0.30, Δx = 0.05) via a citric acid-assisted sol-gel auto-combustion method. X-ray diffraction (XRD) analysis revealed crystal structure changes due to Cd and Mg co-doping, with the 0.25 Cd sample showing the smallest crystallite size and highest lattice strain. High-resolution transmission electron microscopy (HRTEM) confirmed the nanostructure and largest surface area for this sample. Diffuse reflectance spectra, analyzed using the Kubelka-Munk relation, indicated that the 0.25 Cd sample had the lowest energy gap (2.08 eV), supported by band position calculations. Electrical conductivity and charge transport mechanisms were examined at various temperatures. Magnetization studies showed reduced saturation magnetization at x = 0.25, ascribed to cation distribution changes and spin canting, with coercivity and anisotropy decreasing with higher Cd content. Overall, the 0.25 Cd sample exhibited optimized optical, electrical, and magnetic properties due to its distinct microstructure.

Controlled growth of two-dimensional MoS2/WSe2 heterostructure solar cell by chemical vapor deposition

The development of high-quality type II semiconductor heterostructures is crucial for solar energy conversion applications. Here, we report the sequential growth of MoS2/WSe2 two-dimensional semiconductor type II heterostructure using a one-step chemical vapor deposition. The morphological, Raman, and chemical analysis revealed that the WSe2 layer is deposited on the rhombus-shaped MoS2, forming a vertical MoS2/WSe2 heterostructure. The solar cell fabricated using the grown heterostructure exhibits a photovoltaic response with a conversion efficiency of 2.5 % and an open circuit voltage of 0.22 V, respectively. The numerical simulation study unravels the mechanism of charge separation and transport in the MoS2/WSe2 heterostructure solar cell.

A comparative study of Schottky barrier heights and charge transport mechanisms in 3C, 4H, and 6H silicon carbide polytypes

A comparative study of Schottky barrier heights and charge transport mechanisms in 3C, 4H, and 6H silicon carbide polytypes

Charge Generation and Enhancement of Key Components of Triboelectric Nanogenerators: A Review.

The past decade has witnessed remarkable progress in high-performance Triboelectric nanogenerators (TENG) with the design and synthesis of functional dielectric materials, the exploration of novel dynamic charge transport mechanisms, and the innovative design of architecture, making it one of the most crucial technologies for energy harvesting. High output charge density is fundamental for TENG to expand its application scope and accelerate industrialization; it depends on the dynamic equilibrium of charge generation, trapping, de-trapping, and migration within its core components. Here, this review classifies and summarizes innovative approaches to enhance the charge density of the charge generation, charge trapping, and charge collection layers. The milestone of high charge density TENG is reviewed based on material selection and innovative mechanisms. The state-of-the-art principles and techniques for generating high charge density and suppressing charge decay are discussed and highlighted in detail, and the distinct charge transport mechanisms, the technologies of advanced materials preparation, and the effective charge excitation strategy are emphatically introduced. Lastly, the bottleneck and future research priorities for boosting the output charge density are summarized. A summary of these cutting-edge developments intends to provide readers with a deep understanding of the future design of high-output TENG.

Probing Nanoscale Charge Transport Mechanisms in Quasi-2D Halide Perovskites for Photovoltaic Applications.

Quasi-2D layered halide perovskites (quasi-2DLPs) have emerged as promising materials for photovoltaic (PV) applications owing to their advantageous bandgap for absorbing visible light and the improved stability they enable. Their charge transport mechanism is heavily influenced by the grain orientation of their crystals as well as their nanostructures, such as grain boundaries (GBs) and edge states─the formation of which is inevitable in polycrystalline quasi-2DLP thin films. Despite their importance, the impact of these features on charge transport remains unexplored. In this study, we conduct a detailed investigation on polycrystalline quasi-2DLP thin films and devices, carefully analyzing how grain orientation and nanostructures influence charge transport. Employing nondestructive atomic force microscopy (AFM) topography, along with transient absorption spectroscopy (TAS) and grazing-incidence wide-angle X-ray scattering (GIWAXS), we obtained significant insights regarding the phase purity, crystallographic information, and morphologies of these films. Moreover, our systematic investigation using AFM-based techniques, including Kelvin probe force microscopy (KPFM) and conductive AFM (c-AFM), elucidates the roles played by GBs and edge states in shaping charge transport behavior. In particular, the local band structure along the GBs and edge states within both vertical and parallel grains was found to selectively repel electrons and holes, thus facilitating charge carrier separation. These findings provide perspectives for the development of high-performance quasi-2DLP PV devices and highlight potential approaches that can leverage the intrinsic properties of quasi-2DLPs to advance the performance of perovskite solar cells.

Evolution from micropinned to polymeric alloy structure of XLPE‐PS: Improving electrical properties and mechanism

AbstractThis research investigates the transition from a micropinned to a polymeric alloy structure in crosslinked‐polyethylene‐polystyrene (XLPE‐PS). Incorporating 2 wt% 10 μm PS particles into low‐density polyethylene (LDPE) and crosslinking with 2 wt% dicumyl peroxide (DCP) forms XLPE‐PS structures. The polymeric alloy structure, formed at 220°C extrusion, contrasts with the micropinned formed at 150°C. Morphological, thermo‐structural, chemical, and crystal properties are examined to understand their impact on electrical properties and charge transport mechanisms. Results indicate that the polymeric alloy effectively resolves void/crack issues, whereas the micropinned exhibits phase separation. Both structures exhibit a benzene‐crosslinked network, and variations in these structures lead to significant changes in thermo‐structural, chemical, and crystalline properties. The polymeric alloy XLPE‐PS shifts the polyethylene (PE) hkl crystal planes, confirming phase shift and optimal alloying. The structural alterations reveal deeper traps and higher densities in the polymeric alloy XLPE‐PS, leading to significantly improved electrical properties, including reduced DC conductivity by up to 1.3 and 0.7 decades at 30 and 90°C, and increased DC breakdown strength by up to 40.34% and 16.17% at 30 and 90°C, respectively, compared with micropinned XLPE‐PS. This research offers insights into stable high‐voltage insulation development.

A novel simulation of space charge decay dynamics after removing the voltage in epoxy resin composites

Abstract Epoxy resin serves as a critical insulating component in ultra-high voltage dry direct current bushings. However, the accumulation of space charges within the epoxy resin, a byproduct of charge mobility, poses a significant risk to the reliability and operational safety of bushings. Conventional space charge attenuation models, especially after voltage removal, have limited use in simulations aimed at understanding this phenomenon. This study introduces an improved model integrating the bipolar charge transport mechanism with space charge decay based on the hopping conduction mechanism and Schottky’s theorem, establishes a theoretical framework for predicting the space charge behavior following voltage removal, and conducts a simulation to investigate the decay process within the internal structure of epoxy resin and measure the residual charges after voltage removal using the pulsed electro-acoustic method. The experimental data validate the accuracy of the proposed model and theoretical assumptions. The findings show that the remaining negative charges after voltage removal are not enhanced by the field enhancement; the anodic positive and cathodic positive charges are distributed in two-segment discontinuous traps, whereas the negative charges are distributed in one-segment traps. The model identifies two distinct trapping sites for anodic and cathodic positive charges, and one trapping site for negative charges. After voltage removal, when the field strength exceeded 40 kV mm−1, positive charges exist near the upper and lower electrodes, and negative charges exist near the center of the specimen. The consistency between the simulated predictions and experimental data proves the effectiveness of the proposed model in accurately simulating the space charge decay in epoxy materials after voltage removal.

Electrical Transport Properties of PbS Quantum Dot/Graphene Heterostructures.

The integration of PbS quantum dots (QDs) with graphene represents a notable advancement in enhancing the optoelectronic properties of quantum-dot-based devices. This study investigated the electrical transport properties of PbS quantum dot (QD)/graphene heterostructures, leveraging the high carrier mobility of graphene. We fabricated QD/graphene/SiO2/Si heterostructures by synthesizing p-type monolayer graphene via chemical vapor deposition and spin-coating PbS QDs on the surface. Then, we used a low-temperature electrical transport measurement system to study the electrical transport properties of the heterostructure under different temperature, gate voltage, and light conditions and compared them with bare graphene samples. The results indicated that the QD/graphene samples exhibited higher resistance than graphene alone, with both resistances slightly increasing with temperature. The QD/graphene samples exhibited significant hole doping, with conductivity increasing from 0.0002 Ω-1 to 0.0007 Ω-1 under gate voltage modulation. As the temperature increased from 5 K to 300 K, hole mobility decreased from 1200 cm2V-1s-1 to 400 cm2V-1s-1 and electron mobility decreased from 800 cm2V-1s-1 to 200 cm2V-1s-1. Infrared illumination reduced resistance, thereby enhancing conductivity, with a resistance change of about 0.4%/mW at a gate voltage of 125 V, demonstrating the potential of these heterostructures for infrared photodetector applications. These findings offer significant insights into the charge transport mechanisms in low-dimensional materials, paving the way for high-performance optoelectronic devices.

Intense violet electroluminescence of thin SiO2 layers with SnO2 nanocrystals

It has been shown that Sn implantation with subsequent annealing in air leads to an increase in the electroluminescence (EL) intensity of SiO2/Si structure by two orders of magnitude. Intense violet EL with a maximum at 3.21 eV was observed at room temperature by the naked eye at forward bias. The observed emission was attributed to radiative recombination in SnO2 nanocrystals synthesized in SiO2 layers. The external quantum efficiency (EQE) increased with decreasing Sn concentration The maximum external quantum efficiency was found to be 0.7 % for the silica film Sn-implanted at the lowest fluence of 2.5 × 1016cm−2. The non-radiative charge transport (shunt current) through the sample and mechanism of EL excitation are discussed. It has been concluded that the Poole–Frenkel mechanism, or tunneling between traps are the most likely mechanisms of charge transport to light-emitting centers.

Defect engineering of charge transport and photovoltaic effect in BiFeO3 films

Bismuth ferrite (BiFeO3) is an attractive multiferroic material, extensively explored in photoferroelectric investigations. However, its applications are hindered by the high leakage current, requiring precise control of charge transport properties. Defect engineering has emerged as a promising strategy to address this issue: controlling the defect chemistry, particularly oxygen vacancies, is key to tuning the electrical properties. This study investigates the influence of 5% ▪ - and 2% ▪ -doping on the dark and light-induced charge transport properties of polycrystalline BiFeO3 films. Our results demonstrate that ▪ reduces dark conductivity by decreasing oxygen vacancy concentration with no change in the physical nature of the charge transport mechanism. In contrast, ▪ modifies the charge transport mechanism, increasing low-field (E < 100kVcm-1) dark conductivity while drastically reducing high-field (E > 250kVcm-1) dark conductivity. This tuning of the defect chemistry is also key to enhance the photovoltages of the bulk photovoltaic effect in BiFeO3. High photoinduced electric fields up to 7kVcm-1 and low photoconductivity values are obtained with ▪ -doping, while high short-circuit photocurrent values are obtained with ▪ -doping.

Broadband Dielectric Spectroscopy: Unraveling Na+diffusion and mixed conduction in Na₂O-modified zinc phosphate glasses for electrode material applications

The fundamental understanding of electric charge (ion + polarons/electrons) transport and relaxation mechanism is essential for applications in solid state ionics. In present work, to study Na+ transport, the electrical conductivity of zinc phosphate glasses modified with Na2O has been investigated in temperature range 313K and 473K and frequency range of 100 mHz to 1 MHz. The experimental data of Nyquist plots is fitted with appropriate equivalent circuits at different temperatures which reveals presence of mixed conduction (polaronic + ionic) and Na+ diffusion (at 50 mol% Na2O) in studied glass samples. The values of frequency exponent (s) obtained from the fitting of experimental data of the real part of electrical conductivity with Almond–West equation (WAE) have been used to determine the conduction mechanism. The electric transport in studied glasses occurred via correlated barrier hopping and non-overlapping small polaron tunnelling conduction models depending on the glass composition and temperature range of investigation. Electric Modulus studies further supports the assertion of composition and temperature dependent conduction mechanisms. The activation energies determined from conductivity, electric modulus, and impedance measurements are found to be consistent, indicating a good correlation in the study.

Unveiling the potential of PVA-Er2O3 films for superior optical, electrical, mechanical, and thermal applications

This study explores the enhancement of polyvinyl alcohol (PVA) films by incorporating erbium oxide (Er2O3) nanoparticles using the casting solution method. We investigated the structural, optical, electrical, dielectric, and mechanical properties of PVA-Er2O3 nanocomposite films with varying Er2O3 concentrations (2.5, 5, 7.5, and 10 wt%). Structural analyses confirmed successful nanoparticle integration. Optical measurements revealed reduced transparency and bandgap, alongside increased refractive index. Electrical conductivity showed significant improvement with Er2O3 inclusion. Dielectric properties demonstrated enhanced performance, with frequency-dependent studies and Argand plot analysis providing insights into charge transport and relaxation mechanisms. Mechanical testing indicated increased tensile strength and Young’s modulus, with the 10 wt% nanocomposite showing comparable performance to pure PVA. These findings highlight the potential of PVA-Er2O3 films for advanced applications in electronics, sensors, and energy storage systems.

Low bias charge transport in DNA.

The low-bias current-voltage technique was utilized to study charge transport in single-stranded DNA (ssDNA), assessing the method's effectiveness for future studies aimed at estimating the degree of mutation or DNA damage. In the paper, we showed that charge carrier transfer processes in ssDNA can be precisely monitored using low-bias currents. We used negative differential resistance and the Fowler-Nordheim model to differentiate the charge transport mechanisms observed in a device composed of gold electrode-thiol-ssDNA junctions. It was possible to distinguish the processes at the two junctions (Au/thiol and thiol/DNA) due to their distinct current-voltage characteristics. We observed positive charge carrier tunneling, which we attribute to oxidation and reduction processes in the nucleobases of the ssDNA. Our results suggest that even minor changes in DNA chains can be accurately detected using the described methodology.

Temperature-induced dielectric and electrical behavior of Cs/HPC-copper vanadate nanocomposites

This study investigates the effects of temperature exposure on the dielectric and electrical properties of Cs/HPC-copper vanadate nanocomposites. The results indicate a direct correlation between the increase in polymer surface roughness and the amount of incorporated copper vanadate nanoparticles. The real dielectric constant and imaginary dielectric constant exhibited a notable increase at lower frequencies, which was attributed to interfacial polarization. At higher frequencies, the decrease was due to space charge polarization. The incorporation of copper vanadate nanoparticles resulted in a significant enhancement of both the real dielectric constant and imaginary dielectric constant highlighting the crucial role of these nanoparticles in the electrical properties of the nanocomposites. The impedance (Z′) and impedance (Z′) measurements indicate a decrease in Z″ with increasing frequency and temperature, suggesting enhanced ionic conductivity and interfacial polarization. The Cole–Cole plots reveal that the dielectric relaxation process in the Cs/HPC-copper vanadate nanoparticles (NPs) follow the non-Debye model. The results provide insights into the charge-transport mechanisms in these nanocomposites and highlight the importance of temperature in controlling their electrical properties.

Tunneling and thermionic emission as charge transport mechanisms in W-based Schottky contacts on AlGaN/GaN heterostructures

This paper investigates the forward conduction mechanism of W-based Schottky diodes on AlGaN/GaN heterostructures across a temperature range of 25–150 °C. Current-Voltage measurements carried out at different temperatures (I-V-T), allow to identify two coexisting mechanisms for charge transport. At lower bias the conduction mechanism is ruled by tunneling (TU), with a characteristic energy of E00 = 75 meV extracted from the temperature dependence of the ideality factor. At higher bias the Thermionic Emission (TE) mechanism dominates, thus revealing the presence of an inhomogeneous barrier that increases from 0.77 to 0.94 eV with increasing the measurement temperature. An ideal barrier of 1.22 eV was extrapolated for a unitary ideality factor. Structural and electrical analyses performed at nanoscale level revealed the presence of a density of defects (dislocations) in the order of 4 × 109 cm−2. Conductive Atomic Force Microscopy (C-AFM) provided local electrical information, uncovering a significant correlation between the observed electrical characteristics and the nanoscale defect distribution. This detailed insight highlights the crucial role of the electrical characteristics of defects in influencing the tunneling current component at low bias, thereby providing valuable context for understanding the electrical behavior and performance of microscopic devices.

Sub-Boltzmann Switching, Hysteresis-Free Charge Modulated Negative Differential Resistance FinFET.

The ever-increasing power consumption in integrated circuits has raised concerns about the relentless doubling of transistor density in chips and cost drop per combinational/sequential circuits. To address the physical limit of thermionic emission carrier transport (i.e., subthreshold swing >60 mV/decade at 300 K), alternative charge-transport mechanisms or the implementation of functional substances have been attempted but without appreciable success. One such choice is to take advantage of negative differential resistance with the activation of localized electrons or migration of atom and oxygen vacancies to extend the capabilities of Si-transistors. However, inconsistency in current during forward/reverse bias sweep is confronted as a notable weak point. This work proposes an eye-catching solution to modulating potential distribution between a resistance switching layer and a transistor by employing charge trapping within a hafnium zirconium oxide layer. This approach introduces features advancing the potential of "More Moore" technologies.

Polymer Capacitor Films with Nanoscale Coatings for Dielectric Energy Storage: A Review

Enhancing the energy storage properties of dielectric polymer capacitor films through composite materials has gained widespread recognition. Among the various strategies for improving dielectric materials, nanoscale coatings that create structurally controlled multiphase polymeric films have shown great promise. This approach has garnered considerable attention in recent years due to its effectiveness. This review examines surface-coated polymer composites used for dielectric energy storage, discussing their dielectric properties, behaviors, and the underlying physical mechanisms involved in energy storage. The review thoroughly examines the fabrication methods for nanoscale coatings and the selection of coating materials. It also explores the latest advancements in the rational design and control of interfaces in organic–inorganic, organic–organic, and heterogeneous multiphase structures. Additionally, the review delves into the structure–property relationships between different interfacial phases and various interface structures, analyzing how nanoscale coatings the impact dielectric constant, breakdown strength, conduction and charge transport mechanisms, energy density and efficiency, thermal stability, and electrothermal durability of polymeric capacitor films. Moreover, the review summarizes relevant simulation methods and offers computational insights. The potential practical applications and characteristics of such nanoscale coating techniques are discussed, along with the existing challenges and practical limitations. Finally, the review concludes with a summary and outlook, highlighting potential research directions in this rapidly evolving field.

Phase Dependence of Surface Charge Measurement on Epoxy Insulator in C4F7N/CO2 under AC Voltage.

The application of binary gas mixtures consisting of heptafluorobutyronitrile (C4F7N) and carbon dioxide (CO2) in AC GIS is currently attracting much attention. Therefore, the evaluation of the gas-solid interface charge distribution characteristics of epoxy resin is indispensable. Additionally, the phase-dependency of the charging behavior remains not fully understood. We simulated coaxial electrode structure in GIS and investigated the surface charge distribution on a down-scaled epoxy insulator. The influence of the truncated phase angle and duration of AC voltage on charge behavior were analyzed, and the charge transport mechanism under AC voltage was theoretically analyzed. The results showed that there was a noticeable negative charge speckle with the presence of the metal particle and the accumulated negative charge on the insulator surface far exceeded that of the positive charge. The maximum surface charge density and the amount of surface charge accumulated first increased and then decreased over time. It was found that the phase angle has a negligible influence on the surface charge distribution at the cut-off moment.

Observation of voltage dependent negative differential resistance (NDR) in SnS2-GO nanocomposites

This study investigates the structural, optical, and electrical properties of tin disulfide (SnS2) and SnS2-graphene oxide (GO) nanosheets synthesized via chemical bath deposition method (CBD). Structural characterization confirms the formation of hexagonal crystal phases with nanosheet morphology. It shows a well distribution of nanosheet average square sizes of 10 nm for SnS2 and 6 nm for SnS2-GO. Optical analysis shows blue shifts in absorption edges compared to bulk SnS2, attributed to quantum confinement effects. Photoluminescence emission peaks exhibit different energy levels in SnS2-GO originated to native defects. The composites show a sharp reduced of PL intensity due to enhanced charge carrier separation. Electrical measurements on SnS2-GO thin films demonstrate negative differential resistance (NDR) behavior in both planar and sandwich contact configurations, suggesting electron injection/extraction mechanisms. The NDR phenomenon exhibits a dependence on voltage scan rate, indicating the involvement of electronic and ionic elements in charge transport mechanisms. Overall, this study provides insights into the NDR properties of SnS2-GO nanocomposite, laying the groundwork for their potential applications in optoelectronics and nanoelectronics.