Electron Transport Characteristics Research Articles

Uncovering the Potential of Two-Dimensional SrRuO3 as anode material in Li, Na, Mg, Ca, K, and Zn ion Batteries: First-Principles investigations of structural, electronic and electrochemical properties

The development of robust and efficient electrode materials is priority area in the battery research to realize large capacity, high stability, and hasty carrier mobility. In this study, first principles investigations are carried out to evaluate potential of SrRuO3 as anode material for use in rechargeable monovalent and multivalent ion batteries including Li ion batteries (LIBs), Na ion batteries (NIBs), Mg ion batteries (MIBs), Ca ion batteries (CIBs), potassium ion batteries (KIBs) and Zn ion batteries (ZIBs). The optimal anodic properties of the material are systematically examined, focusing on its structural properties, electronic characteristics, diffusion barriers, storage capabilities, and studies on adsorption sites. The layered structure of the material appeared to accommodate several atoms of different metal during charge / discharge cycles. The exothermic interactions of Li, Na, Mg, Ca, K, and Zn with the host SrRuO3 show their appropriateness for the intercalation process in the batteries. The storage capacity for the LIB, NIB, MIB, CIB, KIB, and ZIB is calculated as 1211 mAhg−1, 990 mAhg−1, 2201 mAhg−1, 1100 mAhg−1, 770 mAhg−1 and 1516 mAhg−1, respectively. The respective values of open circuit voltage are determined as 0.48 V, 0.94 V, 1.3 V, 1.15 V, 0.7 V and 1.17 V for LIB, NIB, KIB, MIB, CIB and ZIB. The minimal diffusion barrier calculated for active ion migration of Li (0.38 eV), Na (0.18 eV), K (0.35 eV), Mg (0.81 eV), Ca (0.86 eV) and Zn (0.92 eV) in the host material indicate excellent transport character for the batteries. The low values of volume expansion (%) of the host material calculated as 1.29 %, 30 %, 25 %, 5 %, 12 % and 7 % for LIB, MIB, KIB, NIB, CIB and ZIB respectively, point to good cyclic stability. Furthermore, non-equilibrium Greens function approach was employed to examine electron transport characteristics involved in solid electrolyte interphase (SEI) formation. The findings of the study predict the excellent anodic performance of SrRuO3 for multivalent ion batteries.

Fabrication of Tungsten/n-CdSe/Pyrographite/Brass sandwiched electronic device and transport characterization for its resistive switching applications

Fabrication of Tungsten/n-CdSe/Pyrographite/Brass sandwiched electronic device and transport characterization for its resistive switching applications

Rational Design of High-Performance Photocontrolled Molecular Switches Based on Chiroptical Dimethylcethrene: A Theoretical Study.

The reversible photo-induced conformation transition of a single molecule with a [5]helicene backbone has garnered considerable interest in recent studies. Based on such a switching process, one can build molecular photo-driven switches for potential applications of nanoelectronics. But the achievement of high-performance reversible single-molecule photoswitches is still rare. Here, we theoretically propose a 13,14-dimethylcethrene switch whose photoisomerization between the ring-closed and ring-open forms can be triggered by ultraviolet (UV) and visible light irradiation. The electronic structure transitions and charge transport characteristics, concurrent with the photo-driven electrocyclization of the molecule, are calculated by the non-equilibrium Green's function (NEGF) in combination with density functional theory (DFT). The electrical conductivity bears great diversity between the closed and open configurations, certifying the switching behavior and leading to a maximum on-off ratio of up to 103, which is considerable in organic junctions. Further analysis confirms the evident switching behaviors affected by the molecule-electrode interfaces in molecular junctions. Our findings are helpful for the rational design of organic photoswitches at the single-molecule level based on cethrene and analogous organic molecules.

The electronic transport characteristics subsequent to linear doping with nitrogen or boron in (8,0) single-walled carbon nanotubes

The electronic transport properties of single-walled carbon nanotubes (SWCNTs) have long been a focus of attention, with the potential for modulating their conductivity through doping. Commonly adopted doping methods, such as point doping and asymmetric doping, have been prevalent in research, are very common in research, while there is relatively little research on doping of impurity atoms in crystal columns along the tube axis direction, and there is also a lack of exploration related to their electron transport. This study delves into the influence of B/N linear doping on (8,0) carbon nanotube devices, systematically analyzing its effects on device band structure, density of states, current characteristics, and transmission eigenstates. The elucidation of the contributions of distinct doping atoms and the quantity of doping lines to conduction band transport near the Fermi level is approached through the lens of band theory. This analysis provides valuable insights into the nuanced impact of linear doping on the electron transport dynamics in carbon nanotubes. Additionally, a linear regression methodology is employed to discern the quantitative relationship between the number of linear dopants and resultant current values, revealing discernible patterns in the variation of current with the quantity of nitrogen atoms. Such insights contribute to a more profound understanding of the mechanisms underlying the enhancement of conductivity in carbon nanotubes facilitated by multi-line doping in semiconductor devices.

The incorporation of armchair and zigzag boron nitride nanoribbons in graphene monolayers: An examination of the structural, electronic, and magnetic properties

The opening of an energy gap and generating magnetism in graphene are certainly the most significant and urgent topics in your current research. The majority of proposed applications for it require the ability to modify its electronic structure and induce magnetism in it. Here, using first-principles calculations utilizing the PBE and HSE06 functionals, we examine the structural, energetic, electronic, magnetic, and phonon transport characteristics of armchair graphene and boron nitride nanoribbons (aGNRs and aBNNRs), and zigzag graphene and boron nitride nanoribbons (zGNRs and zBNNRs) with varying widths. We shall emphasize the impact of incorporating aBNNRs and zBNNRs of varying widths into graphene monolayers (GMLs). The findings suggest that zBNNRs are easier to insert into GMLs than aBNNRs. A study of the average formation energies of graphene and boron nitride nanoribbons reveals that BNNRs have a formation energy that is at least twenty times greater than GNRs. We have observed energy gaps that can be classified into three distinct families in aGNRs, aBNNRs, and aBNNRs inserted into GML. In the zGNRs and zBNNRs inserted in GML, depending on the width, different magnetic orderings (antiferromagnetic, ferrimagnetic, and ferromagnetic), and electronic behaviors are observed (metallic, semimetallic, semiconductor, and topological insulator).

Non-linear optical properties of hybrid materials of (OLi3) superalkali doped perylene diimide (PDI) derivative: comprehensively study via silico-technique

PDI-Imidazole and PDI-Imidazole combined with OLi3 (OLi3@PDI-Imidazole) were the two types of materials that we examined in this study to see how light behaved in each of the complex. To explore this, we employed the three different method such as rB3LYP/6–31G(d, p) DFT, CAM-B3LYP and WB97XD. The impact of PDI-Imidazole and OLi3@PDI-Imidazole geometries, maximum absorption ( λmax ), FMO, vertical ionization energies ( EVI ), Binding Energies ( Eb ), Hyperpolarizabilities, DOS, Dipole Moments (μ), ESP, EDDM, and Global Reactivity parameters have been examined. The type of contacts as well as the vibrational frequencies of PDI-Imidazole and OLi3@PDI-Imidazole were investigated using NCl, iso-surface, Raman spectroscopy, and IR research. The electron transport characteristics of the OLi3@PDI-Imidazole surface was significantly enhanced in comparison to the PDI-Imidazole surface by lowering the bandgap energies from 1.27 eV to 1.03 eV. In contrast to the pure PDI-Imidazole surface, which had lower values for linear polarizability ( α0 ) (547.08 au) and first hyperpolarizability ( β0 )(201.133au), OLi3@PDI-Imidazole surface displayed significant enhancements in linear polarizability ( α0 = 706.472 au) and first hyperpolarizability ( β0 = 21314.360 au). It was observed by TD-DFT calculations that all the compounds had appreciable improvements in their interaction energies, HOMO–LUMO and UV–vis absorption and vertical ionization potential. Future development of nonlinear optical (NLO) devices has been discovered to benefit from the addition of OLi3 to the PDI-Imidazole surface.

The use of 1D carbon nanotube interacting with caffeine molecules for applications in solar cells: structure optimisation, Raman analysis and optoelectronic properties

This study proposes a promising candidate for organic solar cells through the creation of a novel nano-hybrid system composed of caffeine molecules encapsulated within a semiconducting single-walled carbon nanotube known as NT14 (14,0). The stability and optoelectronic properties of this hybrid system, designated as CA@NT14, were thoroughly investigated. We determined the optimal diameter for the NT14 nanotube using molecular mechanics, Density Functional Theory, spectral moment’s method, and bond polarizability model, finding it to be approximately 1.18 nm. The encapsulation’s impact on the Raman-active modes, specifically the radial breathing mode and tangential mode, was analyzed through Raman spectra calculations, revealing structural stability and charge transfer from CA to NT14. Notably, the NT14’s Fermi level position increased upon encapsulation, indicating charge transfer and a type-II band alignment. The study further examined the bandgap characteristics of the hybrid system, finding that the encapsulation of CA within semiconducting NT14 nanotubes minimally impacts the nanotube’s bandgap, thus retaining its excellent visible light absorption properties. Conversely, encapsulating CA within metallic nanotubes significantly reduces their bandgap, limiting their light absorption range. The nonresonant Raman responses of NT14 pre- and post-encapsulation corroborated the charge transfer between CA and NT14. Future research will focus on computing the electronic transport characteristics, transmission spectra, I-V characteristics, and yield of CA@NT14 using DFT and Non-Equilibrium Green’s Function ( formalism. An experimental study will be conducted to validate these theoretical findings. These results indicate the potential of CA@NT14 hybrids as effective active layers in organic solar cells, highlighting their significance in advancing optoelectronic applications.

Formation, Structure, Electronic, and Transport Properties of Nitrogen Defects in Graphene and Carbon Nanotubes.

The substitutional doping of nitrogen is an efficient way to modulate the electronic properties of graphene and carbon nanotubes (CNTs). Therefore, it could enhance their physical and chemical properties as well as offer potential applications. This paper provides an overview of the experimental and theoretical investigations regarding nitrogen-doped graphene and CNTs. The formation of various nitrogen defects in nitrogen-doped graphene and CNTs, which are identified by several observations, is reviewed. The electronic properties and transport characteristics for nitrogen-doped graphene and CNTs are also reviewed for the development of high-performance electronic device applications.

Enhancement of Electron Transport Characteristics Using MXene-MnFeO3 Nanocomposite Integration with Fullerene Derivatives for the Perovskite-Based Solar Cells and Detectors.

In this study, we prepared a hybrid film incorporating the MnFeO3-decorated conducting two-dimensional (2D) MXene sheet-suspended [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) electron transfer layer (ETL) for the perovskite solar cells (PSCs) and detectors. The incorporation of MXene-MnFeO3 with the PCBM ETL could drive exceptional conducting features for the PSCs. Moreover, the presence of MXene-MnFeO3 facilitated superior charge transfer pathways, thereby enhancing the electron extraction and collection processes. This enhancement was directed to improve the electron mobility within the device, resulting in high photocurrents. The designed interface engineering with the MXene-MnFeO3 nanocomposite-tuned PCBM ETL has produced a remarkable power conversion efficiency of 17.79% ± 0.27. Moreover, X-ray detectors employing PCBM modulated with the MXene-MnFeO3 ETL achieved notable performance metrics including 18.47 μA/cm2 CCD-DCD, 5.53 mA/Gy·cm2 sensitivity, 7.64 × 10-4 cm2/V·s electron mobility, and 1.51 × 1015 cm2/V·s trap density.

Scattering of e∓ in beryllium isonuclear series: cross sections and transport characteristics

The elastic scattering of electrons and positrons by beryllium atoms and its isonuclear ion states is described in this paper in terms of differential and various angle integrated cross sections. For this element, the critical minima in the elastic differential cross sections and the optimum spin polarization sites are found. These calculations are performed using the Dirac partial wave analysis (DPWA) and a projectile-target modified complex optical model potential. Further, the Monte Carlo method is used to calculate the transport characteristics of electrons in a mixture of inert gas (He, Ar) and beryllium vapor for electric field values E/N = 1-100 Td, taking into account inelastic collisions. We studied the effect of metal vapor concentration on drift velocity, average electron energy, diffusion and mobility coefficients. Finally, we investigated the effect of beryllium vapor on the electron energy distribution function in the inert gas. On comparing present work with existing theoretical calculation, a reasonable agreement is observed.

Long-distance electron transport in multicellular freshwater cable bacteria.

Filamentous multicellular cable bacteria perform centimeter-scale electron transport in a process that couples oxidation of an electron donor (sulfide) in deeper sediment to the reduction of an electron acceptor (oxygen or nitrate) near the surface. While this electric metabolism is prevalent in both marine and freshwater sediments, detailed electronic measurements of the conductivity previously focused on the marine cable bacteria (Candidatus Electrothrix), rather than freshwater cable bacteria, which form a separate genus (Candidatus Electronema) and contribute essential geochemical roles in freshwater sediments. Here, we characterize the electron transport characteristics of Ca. Electronema cable bacteria from Southern California freshwater sediments. Current-voltage measurements of intact cable filaments bridging interdigitated electrodes confirmed their persistent conductivity under a controlled atmosphere and the variable sensitivity of this conduction to air exposure. Electrostatic and conductive atomic force microscopies mapped out the characteristics of the cell envelope's nanofiber network, implicating it as the conductive pathway in a manner consistent with previous findings in marine cable bacteria. Four-probe measurements of microelectrodes addressing intact cables demonstrated nanoampere currents up to 200 μm lengths at modest driving voltages, allowing us to quantify the nanofiber conductivity at 0.1 S/cm for freshwater cable bacteria filaments under our measurement conditions. Such a high conductivity can support the remarkable sulfide-to-oxygen electrical currents mediated by cable bacteria in sediments. These measurements expand the knowledgebase of long-distance electron transport to the freshwater niche while shedding light on the underlying conductive network of cable bacteria.

Influence of Fluorine doping on electron transport characteristics of TiO2 for Perovskite solar cells: A combined Experimental and DFT analysis

In the present work, pure TiO2 and Fluorine doped TiO2 (F–TiO2) thin films were prepared and their effect on the photovoltaic response of perovskite solar cells was investigated. Six samples of Fluorine doping of 0, 2, 4, 6, 8, and 10 at. % were prepared using the spin coating method. The F–TiO2 thin films were analyzed using various characterization techniques, including XRD, SEM, and LCR impedance measurements, to ascertain their structural properties, surface morphology, A.C. conductivity, and dielectric constant. The perovskite solar cells were prepared using F–TiO2 as an electron transport layer, MAPbI3 perovskite as the light absorber layer and NiO as the hole transport layer. Further, the DFT calculations were performed using F–TiO2 and perovskite molecules to investigate the electronic properties of the system. The XRD results indicated the formation of the anatase phase of the TiO2. Images obtained by SEM show the multilayer deposition in perovskite solar cells. Both the experimental and computational analysis suggest that the photovoltaic response of the F– TiO2 perovskite solar cell samples was much more impressive than that of the un-adulterated samples.

Adsorption of arsenite (As3+) ions pollution by synthesized BC2N graphene-like nanosheets: DFT investigation

Detecting As3+ in urban and industrial wastewater is of paramount importance for maintaining public health. Density functional theory can be utilized to investigate the potential applications of BC2N nanosheets in sensing and removing As3+ ions. The findings of the current study confirm that the adsorption of As3+ ions onto the BC2N nanosheet significantly reduces the band gap, thereby rendering the nanosheet an exceptional sensing platform for As3+ ions. The BC2N nanosheet exhibits the potential to function as both an electronic and φ-type sensor for the detection of toxic As3+ ions. Moreover, this study examines the impact of As3+ ion adsorption on the electronic transport characteristics of the BC2N nanosheet through current-voltage and transmission analyses, utilizing a bias voltage ranging from 0 to 2 V. The results of this study provide theoretical evidence supporting the use of pristine BC2N nanosheets as a viable substrate for efficient sensing and removal of toxic As3+ ions in practical water treatment applications.

(Invited) Understanding Mechanisms of Ion and Electron Transport in Reconfigurable Electrochemical Neuromorphic Components

New materials are emerging as promising components of reconfigurable electrochemical random access memory devices. Among them, transition metal oxides such as those containing vanadium, tantalum, titanium, have shown interesting behaviors regarding their abilities to emulate neuronal behavior, including synapses and other neuronal conductance characteristics, which make them potential candidate components for neuromorphic analog computing devices. In parallel, materials based on molecular complexes appear as another set of promising components that suitably arranged as molecular films may yield artificial neuronal behavior. Here we analyze the ion and electron transport characteristics in these two sets of materials and discuss the fundamental physical and chemical aspects that may drive targeted conductance and memory retention properties. Using first principles theory and simulations we highlight similarities and differences between these two sets of materials regarding their conductance properties and neuromorphic behavior.

Impact of Water-Water Correlation at Suspended Graphene/Water Interface Under Different Electro-Modulated

Graphene-based devices have extensive applications in aqueous environments. The molecular interactions across the graphene sheet significantly impact various devices, although few researches focused on elucidating the interface effects. In this study, we utilize trench structure to make graphene unilaterally and bilaterally suspended in water. The conduction status of both lateral and longitudinal currents (Id, Is, Ig) of graphene was monitored under two suspension scenarios to investigate the changes in interface evolution with the introduction of solvent-solvent interactions. For unilaterally suspended graphene, the current perpendicular to the graphene channel direction remains in the off state. For bilaterally suspended graphene, the current path is formed vertically between the graphene channel and the gate electrode, perpendicular to the direction of the graphene. This experimental setup illustrates the possibilities for exploring interfacial characteristics at the interface between 2D materials and solutions through practical experimentation.The detailed fabrication process of the graphene field-effect-transistor (GFET) device is depicted in Fig. 1. To fabricate the microchannel structure, a microfluidic pattern was generated through photolithography on the SiO2/Si substrate spun with a layer of photoresist. Then, the corresponding microchannel pattern with a thickness of 300 nm SiO2 and 30 μm Si layer was etched by reactive-ion etching (RIE) to form a trench capable of storing water. Afterward, Au electrodes were placed next to the microfluidic channel via evaporation utilizing a shadow mask. The second critical step involves the preparation of graphene. Graphene sheets were grown on a copper foil through the chemical vapor deposition (CVD) method. With the support of PMMA film, physically stacked graphene bilayer graphene was transferred to the target substrate. Ultimately, the suspended bilayer graphene was submerged in acetone for 24 hours to remove the PMMA layer and immersed in isopropanol (IPA) and DI water to clean the residues.According to this device structure, we successfully fabricate the suspension of graphene unilaterally or bilaterally in water. When introducing water through the trench, the bottom surface of the suspended graphene contacts with water molecules, while the upper surface of the suspended graphene is exposed to air. This configuration leads to a unilateral suspension in water (unilateral-suspension GFET). Conversely, when water is introduced through the trench and water is also added above the graphene channel, graphene comes into contact with water on both sides. This configuration results in its bilateral suspension in the water (bilateral-suspension GFET). The electronic transport characteristics of unilateral-suspension GFET and bilateral-suspension GFET were measured by Agilent semiconductor analysis B1500A. The gate voltage was applied to water through an Ag/AgCl electrode. Fig. 2 (a) displays the Raman spectroscopy of suspended graphene on GFET device. The most notable features of the Raman spectrum are the G peak around 1580 cm-1, and the 2D band around 2700 cm-1, which are typical characteristics of graphene. The ID/IG ratio of 0.19 indicates the good quality of the graphene layers. As shown in Fig. 2 (b), the scanning electron microscope (SEM) result of suspended graphene on the GFET device verifies the presence of large-area graphene. The diagram displays a clear demarcation line, facilitating the identification of graphene presence on the substrate. This can also imply the excellent quality of graphene with few defects.The transport behavior of unilateral-suspension GFET and bilateral-suspension GFET are measured individually, as shown in Fig. 3. The sum (ΔI) of The drain current behavior (Id) and source current behavior (Is), and gate current behavior (Ig) are recorded with changed gate voltages (from -1V to +1V) and constant VDS (VDS= 0.1V). For unilateral-suspension GFET, ΔI and Ig keep constant at zero, and there is no conduction path perpendicular to the graphene channel direction. For bilateral-suspension GFET, ΔI and Ig at positive gate voltage are opposite in direction and equal in absolute value, this indicates the formation of an obvious path between the channel and gate electrode. The apparent interfacial evolution is believed to change with the introduction of the other side of water.In conclusion, we compare the electrical characteristics shown by two different suspension situations of graphene-based field effect transistors. There are some interesting results of the conduction path relating to interfacial evolution. This result has potential for chemical sensing or battery application. Furthermore, it can contribute to fundamental research about the interface interaction between suspended graphene and water. Figure 1

(Invited) Phase Engineering for Enhanced Stability of Perovskite Nanowire Optoelectronics

The crystallization of halide perovskites (HPs) into one-dimensional structures has generated considerable research interest for their promising prospects in studying electron transport characteristics and multifunctional nanoscale devices. Various strategies have been developed to achieve in-plane growth of one-dimensional (1D) structures, including epitaxy, capillary-bridge-manipulated graphoepitaxy, and van der Waals epitaxy. Typically, the VLS growth mode, which involves the initial seeding of metallic catalytic nanoparticles to facilitate the process, has realized the out-of-plane and bottom-up synthesis route, opening up a new pathway for the one-dimensional perovskite electronics and optoelectronics.Among many recent advances, Zinc (Zn) has become a significant suppressor of vacancy formation in halide perovskites, establishing its pivotal role in defect engineering for these materials. Herein, we report the Zn-catalyzed vapor-liquid-solid (VLS) route to render black-phase CsPbI3 nanowires operationally stable at room temperature. Based on first-principle calculations, the doped Zn2+ can not only lead to the partial crystal lattice distortion but also reduce the formation energy value from the black phase to the yellow phase, improving the stability of the desired black phase. A series of contrast tests further confirm the stabilization effect of the Zn-doped strategy. Besides, the polarization-sensitive characteristics of black phase CsPbI3 nanowires were revealed. Our work highlights the importance of phase stabilization engineering for CsPbI3 nanowires and their potential applications in anisotropic optoelectronics.

Transport characteristic evaluation of runaway electrons in an ITER disruption simulation

In previous studies, it has been observed that the transport of energetic electrons decreases with increasing energy. This observation is a global and long-time-scale result, attributed to the space-averaged perturbations. In this work, we focus on the local and instantaneous transport characteristics of runaway electrons (REs) during the phase of tokamak disruption, with REs speeds close to the speed of light. To simulate the dynamics of REs, we utilize a particle tracing code called PTC. By coupling PTC with the MHD code JOREK, we are able to study the energy and spatial dependence of RE transport. Our investigations reveal that the finite orbit width (FOW) effect plays an important role in RE transport. This effect is influenced by the relative direction of the electron drift and the magnetic field line. Specifically, the FOW effect strengthens the transport when the drift direction aligns with the deflecting direction of the field line. And we compare the transport profiles among three time slices: at the beginning of the thermal quench, during the thermal quench, and at the beginning of the current quench. In this ITER disruption simulation, the perturbation scale is strong and δB/B is up to 0.05 at developed thermal quench stage. It is reasonable that the influence of FOW effect on transport is less than that of magnetic perturbation even if the energy of REs is about hundreds MeV and the orbit width is equal to or greater than the perturbation length. These analyses provide insights into the mechanisms of RE transport based on magnetic perturbations.

Automated Scanning Dielectric Microscopy Toolbox for Operando Nanoscale Electrical Characterization of Electrolyte‐Gated Organic Transistors

AbstractElectrolyte‐gated organic transistors (EGOTs) leveraging organic semiconductors' electronic and ionic transport characteristics are the key enablers for many biosensing and bioelectronic applications that can selectively sense, record, and monitor different biological and biochemical processes at the nanoscale and translate them into macroscopic electrical signals. Understanding such transduction mechanisms requires multiscale characterization tools to comprehensively probe local electrical properties and link them with device behavior across various bias points. Here, an automated scanning dielectric microscopy toolbox is demonstrated that performs operando in‐liquid scanning dielectric microscopy measurements on functional EGOTs and carries out extensive data analysis to unravel the evolution of local electrical properties in minute detail. This paper emphasizes critical experimental considerations permitting standardized, accurate, and reproducible data acquisition. The developed approach is validated with EGOTs based on blends of organic small molecule semiconductor and insulating polymer that work as accumulation‐mode field‐effect transistors. Furthermore, the degradation of local electrical characteristics at high gate voltages is probed, which is apparently driven by the destruction of local crystalline order due to undesirable electrochemical swelling of the organic semiconducting material near the source electrode edge. The developed approach paves the way for systematic probing of EGOT‐based technologies for targeted optimization and fundamental understanding.

Enhancing conductivity in polymers: The role of metal ions in conducting polymer systems

AbstractAs metal ion inclusion has a substantial effect on conducting polymer's mechanical, optical, and electrical properties, it has attracted a lot of attention. This article delves into the complex role of metal ions in conducting polymers, explaining how they affect functionality, structural stability, and conductivity enhancement. The review starts with a synopsis of conducting polymers and doping processes before diving into the particular ways that metal ions interact with polymer matrices to alter their electronic structure and charge transport characteristics. The importance of characterization techniques in comprehending the structure–property correlations is highlighted in the discussion of metal‐ion doped conducting polymer studies. In addition, the paper looks at the uses of conducting polymers doped with metal ions in numerous sectors, including energy storage, electronics, and sensors. The difficulties in attaining accurate control over doping concentrations and guaranteeing stability over an extended period are discussed, as well as potential avenues for future development in this area. This review offers important insights into the development and optimization of functional materials for a variety of applications by thoroughly investigating the function of metal ions in conducting polymers.

Research on the robust electrical contact properties and favorable transport characteristics of two-dimensional WB4/MoSi2N4 van der Waals heterostructures

Ensuring optimal interface contact performance is crucial for achieving low-resistance ohmic contact in the design of two-dimensional (2D) electronic devices. In this study, we systematically investigate the contact properties of van der Waals (vdW) heterojunctions formed by compositing the semi-metal WB4 with Dirac cones and the semiconductor MoSi2N4 through first-principles calculations. A thorough investigation has been carried out on the electronic structure and transport characteristics at the interface. Our research findings indicate that the WB4/MoSi2N4 combination demonstrates robust ohmic contact performance, maintaining ohmic or near-ohmic p-type Schottky contacts over a wide range when exposed to electric field, varying layer spacing, and biaxial strain. This unique characteristic is associated with the Fermi level pinning (FLP), where there are gap states present at the interface. Here, the FLP plays a positive role in maintaining ohmic contact. In addition, different derivatives of MoSi2N4 are combined with WB4 to create heterostructures and study the changes in contact performance. Our research shows that the robust ohmic contact of WB4/MoSi2N4 will have excellent prospects for application in future electronic devices.