Carrier Mobility Research Articles

Biaxial strain effects on electronic, transport, and thermoelectric properties of SnX[formula omitted] (X = Se, Te) and Janus SnSeTe 1T-monolayers

Biaxial strain in two-dimensional materials plays a crucial role in degenerating the valence and conduction bands, leading to energy dispersion in the band structure and causing changes in transport properties, such as carrier mobility, Seebeck coefficient, and electrical conductivity. Herein, we investigated the effects of biaxial strain on SnX2 (X = Se, Te) and the Janus SnSeTe 1T-monolayer using density functional theory, deformation potential, and semiclassical Boltzmann transport theory. Our findings reveal that the studied 1T-monolayers exhibit high and directionally isotropic electron mobility. Biaxial tensile strain has the effect of increasing the bandgap, predominantly reducing the effective mass of electrons while increasing that of holes. This results in an enhanced electron mobility along with a simultaneous reduction or increase in the concentration of electron carriers or holes, respectively. Especifically, in the case of the Janus SnSeTe 1T-monolayer, we observed a remarkable 68% increase in electron mobility, reaching a value of 1588 cm2V−1s−1. This increase contributes to higher thermoelectric performance due to elevated electrical conductivity and a simultaneous rise in the Seebeck coefficient when subjected to biaxial strain. Our study underscores that strain engineering is an effective strategy for achieving improved thermoelectric properties, particularly exemplified by the SnSeTe 1T-monolayer, which achieved a maximum value of 2.25 for n-type due the ultralow thermal conductivity of 0.359 Wm−1K−1 as result of strong phonon anharmonicity on acustical and optical modes.

Exploring electronic characteristics of bilayer HfS2 under mechanical strain and external electric field: a first-principles approach

This study employed the density functional theory (DFT) to explore the dynamic stability of different stacking configurations of bilayer HfS2 (2L-HfS2) and the influence of external conditions on its electronic properties. These results indicate that the AA configuration is the most stable among the various stacking configurations. Calculations of the carrier effective mass revealed that the artificially stacked 2L-HfS2 maintained a small effective mass of electrons and holes and exhibited high carrier mobility. Further investigation revealed diverse trends in the electronic properties of 2L-HfS2 under vertical strain, in-plane strain, shear strain, and an applied external electric field. These variations encompass bandgap size alterations, band structure evolution, and transitions in the metallic behavior. This systematic study elucidates the regulatory effects of different strains and external electric field conditions on the electronic properties of 2L-HfS2, thereby providing a vital theoretical foundation and experimental guidance for its application in electronics and optoelectronics.

Review: Perovskite Nanostructures Materials Versatile Platform for Advance Biosensor Applications

The distinct presence of a central atom surrounded by eight ligands leads to higher light absorption and charge carrier mobility in perovskite materials. The peculiar nature of the structure inspires all the scientists and researchers to work more in sustainable applications, such as solar cells, light emitting diodes, transistor and biosensors. The capability of perovskite material in detecting smaller molecules such as O2, NO2 and CO2 is higher. Therefore, several biosensors are demonstrated based on the perovskite nanomaterial to various chemical and biological species with both solid and solution states. The immense sources of research articles thrived the author, to review the perovskite nanomaterials in the dimension of biosensor application extensively. This review covers major three areas of perovskite nanomaterial, such as components and characteristics of biosensors, properties and preparation of perovskite materials and application and research trends of perovskite nanostructure biosensor.

Modeling and performance investigation of novel inorganic Cs4CuSb2Cl12 nanocrystal perovskite solar cell using SCAPS-1D

For the next generation of photovoltaic devices, perovskite solar cells (PSCs) appear as a good choice because they are simple and convert energy to electricity very efficiently. Recent years have seen a great deal of interest in organic-inorganic lead halide perovskites due to their exceptional optoelectronic properties. Nonetheless, additional commercialization of the Pb element is still restricted by its inevitable toxicity. To address the instability and toxicity of the lead hybrid perovskite, it is imperative to produce entirely inorganic lead-free perovskite nanocrystals. Cs4CuSb2Cl12 offers promising qualities and strong stability against light, heat, and humidity to overcome these drawbacks. It possesses an efficient photo-generated carrier and good carrier mobility. In this study, a lead-free perovskite solar cell with the novel configuration of FTO/WS2/Cs4CuSb2Cl12/CuSbS2/Ni has been optimized using SCAPS-1D simulation software and investigates the potential of Cs4CuSb2Cl12 nanocrystal solar cell. The impact of different characteristics of charge transport materials on Cs4CuSb2Cl12 nanocrystal solar cells has been reported. Additionally, the study computationally optimizes the thickness of perovskite layer, doping concentration, defect density, and other input parameters to propose an effective PSC with power conversion efficiency of 23.10 %, Voc of 1.1675V, and FF of 83.33 %.

Exploration of two-dimensional XPY3 (X = Zn, Cd; Y[dbnd]S, Se) for photocatalytic water splitting

Two-dimensional (2D) materials are attracting much attention as emerging photocatalytic water splitting candidates in green and clean energy applications. In this work, we designed four 2D materials, ZnPS3, ZnPSe3, CdPS3 and CdPSe3, which possess high stability, moderate band-gaps (2.24–3.29 eV), and anisotropic carrier mobilities of 192.26 ─ 676.04 cm2/Vs. Besides, they also have suitable band edges of REDOX at PH = 0, which can simultaneously drive photocatalytic water splitting to produce H2 and O2, and show acceptable free energy for hydrogen evolution reaction (HER) of 0.89–1.20 eV. Moreover, monolayer ZnPSe3 and CdPSe3 can deliver strong absorption coefficients (∼105 cm−1) from visible to ultraviolet light. As a result, they have excellent solar-to-hydrogen efficiency of 18.39% and 19.70%, suggesting they are promising photocatalytic candidates for overall water splitting.

Highly Efficient and Stable Organic Solar Cells Enabled by a Commercialized Simple Thieno[3,2-b]thiophene Additive.

Delicately manipulating nanomorphology is recognized as a vital and effective approach to enhancing the performance and stability of organic solar cells (OSCs). However, the complete removal of solvent additives with high boiling points is typically necessary to maintain the operational stability of the device. In this study, two commercially available organic intermediates, namely thieno[3,2-b]thiophene (TT) and 3,6-dibromothieno[3,2-b]thiophene (TTB) are introduced, as solid additives in OSCs. The theoretical simulations and experimental results indicate that TT and TTB may exhibit stronger intermolecular interactions with the acceptor Y6 and donor PM6, respectively. This suggests that the solid additives (SAs)can selectively intercalate between Y6 and PM6 molecules, thereby improving the packing order and crystallinity. As a result, the TT-treated PM6:Y6 system exhibits a favorable morphology, improved charge carrier mobility, and minimal charge recombination loss. These characteristics contribute to an impressive efficiency of 17.75%. Furthermore, the system demonstrates exceptional thermal stability (T80>2800h at 65°C) and outstanding photostability. The universal applicability of TT treatment is confirmed in OSCs employing D18:L8-BO, achieving a significantly higher PCE of 18.3%. These findings underscore the importance of using appropriate solid additives to optimize the blend morphology of OSCs, thereby improving photovoltaic performance and thermal stability.

Multifunctional terahertz device based on plasmon-induced transparency

Abstract Enhancing light-matter interaction is crucial in optics for boosting nanophotonic device performance, which can be achieved via plasmon-induced transparency (PIT). In this study, a polarization-insensitive PIT effect at terahertz frequencies is achieved using a novel metasurface composed of a cross-shaped graphene structure surrounded by four graphene strips. The high symmetry of this metasurface ensures its insensitivity to changes in the polarization angle of incident light. The PIT effect, stemming from the coupling of graphene bright modes, was explored through finite difference time domain (FDTD) simulations and coupled mode theory (CMT) analysis. By tuning the Fermi level in graphene, we effectively modulated the PIT transparent window, achieving high-performance optical switching with a modulation depth (88.9% < MD < 98.0%) and insertion losses (0.17 dB < IL < 0.51 dB) at a carrier mobility of 2 m2/(V·s). Furthermore, the impact of graphene carrier mobility on the slow-light effect was examined, revealing that increasing the carrier mobility from 0.5 m2/(V·s) to 3 m2/(V·s) boosts the group index from 126 to 781. These findings highlight the potential for developing versatile terahertz devices, such as optical switches and slow-light apparatus.

Miracle in "White":Hexagonal Boron Nitride.

The exploration of 2D materials has captured significant attention due to their unique performances, notably focusing on graphene and hexagonal boron nitride (h-BN). Characterized by closely resembling atomic structures arranged in a honeycomb lattice, both graphene and h-BN share comparable traits, including exceptional thermal conductivity, impressive carrier mobility, and robust pi-pi interactions with organic molecules. Notably, h-BN has been extensively examined for its exceptional electrical insulating properties, inert passivation capabilities, and provision of an ideal ultraflat surface devoid of dangling bonds. These distinct attributes, contrasting with those of h-BN, such as its conductive versus insulating behavior, active versus inert nature, and absence of dangling surface bonds versus absorbent tendencies, render it a compelling material with broad application potential. Moreover, the unity of such contradictions endows h-BN with intriguing possibilities for unique applications in specific contexts. This review aims to underscore these key attributes and elucidate the intriguing contradictions inherent in current investigations of h-BN, fostering significant insights into the understanding of material properties.

Janus TiSiZ3H (Z = N, P, As) monolayers with large out-of-plane piezoelectricity and high electron mobility: first-principles study

Abstract In this paper, we propose a series of novel two-dimensional Janus structures TiSi$Z_3$H ($Z=$ N, P, As) and investigate their electronic, mechanical, piezoelectric, and transport properties using the density functional theory. The examined results demonstrated that Janus TiSi$Z_3$H monolayers are structurally stable. At the ground state, TiSiN$_3$H, TiSiP$_3$H, and TiSiAs$_3$H monolayers are all semiconductors with indirect bandgaps of 2.98, 1.06, 1.02~eV at the hybrid-functional level, respectively. The absence of vertical mirror symmetry in TiSi$Z_3$H results in the occurrence of both in-plane and out-of-plane piezoelectricity. Interestingly, TiSiAs$_3$H monolayer exhibits large out-of-plane piezoelectric response with coefficient $d_{31}$ up to $-0.45$~pm/V, that is appropriate for use in piezoelectric devices. The calculated results demonstrate that the carrier mobility in Janus TiSi$Z_3$H monolayers is high and directional anisotropic. Particularly, electron mobility in TiSiP$_3$H monolayer is observed up to 772.31~cm$^2$V$^{-1}$s$^{-1}$. Our results not only suggest and confirm some fundamental physical characteristics of new materials but also lay important premises for experimental studies as well as their application prospects in the future.

Steep Slope Field Effect Transistors Based on 2D Materials

AbstractWith field effect transistor (FET) sustained to downscale to sub‐10 nm nodes, performance degradation originates from short channel effects (SCEs) degradation and power consumption increment attributed to inhibition of supply voltage (VDD) scaling down proportionally caused by thermionic limit subthreshold swing (SS) (60 mV dec−1) pose substantial challenges for today's semiconductor industry. To further sustain the Moore's law life, incorporation of new device concepts or new materials are imperative. 2D materials are predicted to be able to combat SCEs by virtue of high carrier mobility maintainability regardless of thickness thinning down, dangling bonds free surface and atomic thickness, which contributes to super gate electrostatic controllability. To overcome increasing power dissipation problem, new device structures including negative capacitance FET (NCFET), tunnel FET (TFET), dirac source FET (DSFET) and the like, which show superiority in decreasing VDD by lowering SS below thermionic limit of 60 mV dec−1 have been brought out. The combination of 2D materials and ultralow steep slope device structures holds great promise for low power‐dissipation electronics, which encompass both suppressed SCEs and reduced VDD simultaneously, leading to improved device performance and lowered power dissipation.

Efficient gradient heating-up approach for rapid growth of high-quality amorphous ZrO2 dielectric films

Abstract High-k oxide dielectric films are indispensable for low-power-consumption oxide thin-film transistors (TFTs) applied in advanced and portable electronics. However, high-quality oxide dielectric films prepared by solution process typically require sophisticated processes and long thermal annealing time, severely limiting both the throughput manufacturing and cost-effectiveness. In this study, the influence of different heating-up methods on the surface morphology and dielectric properties was systematically investigated. Gradient heating-up method could not only substantially improve the surface morphology and quality of high-k ZrO2 films but also efficiently shorten the annealing time. The gradient heating-up process was further designed on the basis of thermal behavior of the xerogel-like precursor, which successfully realize the preparation of high-quality ZrO2 films with an annealing time of 5 min (i.e. the efficiency of thermal treatment increased by about 89%). The ZrO 2 film presented excellent dielectric properties, including a low leakage current density of ~10−8 A/cm2 (at 2 MV/cm), a large areal capacitance of 169 nF/cm2 and a high dielectric constant of 20.41 (1 MHz). Furthermore, InSnZnO TFT based on the ZrO2 gate dielectrics shows an acceptable device performances, such as a high carrier mobility of 2.82 cm2/V s, a high on/off current ratio of ~105 and a low subthreshold swing of 0.19 V/decade at a low operation voltage of 5 V. This work provide a highly promising approach to fabricate high-quality solution-processed high-k oxide dielectric films employed for large-scale and low-power-consumption electronics.

A Systematical Study on Bands and Defects of CsBX3 (B = Pb, Sn, Ge, X = Cl, Br, I) Perovskite Based on First Principles

Metal halide perovskites have attracted considerable attention as novel optoelectronic materials for their excellent optical and electrical properties. Inorganic perovskites (CsPbX3, X = Cl, Br, I) are now viable alternative candidates for third-generation photovoltaic technology because of their high photoelectric conversion efficiency, high carrier mobility, good defect tolerance, simple preparation method and many other advantages. However, the toxicity of lead is problematic for practical implementation. Thus, the fabrication of lead-free perovskite materials and devices has been actively conducted. In this work, the energy band and photoelectric properties of inorganic perovskites CsBX3 (B = Pb, Sn, Ge, X = Cl, Br, I) have been investigated with the first principles calculation, and the possible defect energy levels and their formation energies in different components, in particular, have been systematically studied. The advantages and disadvantages of Sn and Ge as replacement elements for Pb have been demonstrated from the perspective of defects. This study provides an important basis for the study of the properties and applications of lead-free perovskites.

Controllable defects in monolayer graphene induced by hydrogen and argon plasma

Graphene has attracted wide attentions since its successfully exfoliation. Honeycomb sp 2 carbon lattice and Dirac semi-metal band structure make graphene a promising material with excellent mechanical strength, thermal conductivity, and carrier mobility. However, the absence of intrinsic bandgap limits its application in semiconductor. Defects in graphene is supposed to modify its band structure and lead to an opened bandgap. Many methods have been demonstrated to introduce defects into graphene, such as chemical reaction, plasma, electron beam, and laser. However, the species of defects are mostly uncontrollable in most treatment processes. In this study, we report three kinds of defects can be controllably induced in graphene via hydrogen (H2) and argon (Ar) plasma. With different parameter and feeding gas, hydrogenated graphene, graphene nanomesh and graphene with vacancies can be well obtained. The defect density can be precisely controlled by tuning plasma power and irradiation time. Morphological, spectroscopic, and electrical characterizations are performed to systematically investigate the defect evolution. Graphene nanomesh and graphene with vacancies show obvious difference for roughness and coverage, whereas the morphology of hydrogenated graphene remains similar with that of as-prepared graphene. For hydrogenated graphene, an opened bandgap of ∼20 meV is detected. For graphene nanomesh and graphene with vacancies, the semiconductive on/off behaviors are observed. We believe this work can provide more details of plasma-induced defects and assist the application of graphene in semiconductor industry.

High mobility graphene field effect transistors on flexible EVA/PET foils

Monolayer graphene is a promising material for a wide range of applications, including sensors, optoelectronics, antennas, EMR shielding, flexible electronics, and conducting electrodes. Chemical vapor deposition (CVD) of carbon atoms on a metal catalyst is the most scalable and cost-efficient method for synthesizing high-quality, large-area monolayer graphene. The usual method of transferring the CVD graphene from the catalyst to a target substrate involves a polymer carrier which is dissolved after the transfer process is completed. Due to often unavoidable damage to graphene, as well as contamination and residues, carrier mobilities are typically 1000–3000 cm2(Vs)−1 , unless complex and elaborate measures are taken. Here, we report on a simple scalable fabrication method for flexible graphene field-effect transistors that eliminates the polymer interim carrier, by laminating the graphene directly onto office lamination foils, removing the catalyst, and depositing Parylene N as a gate dielectric and encapsulation layer. The fabricated transistors show field- and Hall-effect mobilities of 7000–10 000 cm2(Vs)−1 with a residual charge-carrier density of 2×1011 1 cm−2 at room temperature. We further validate the material quality by terahertz time-domain spectroscopy and observation of the quantum Hall effect at low temperatures in a moderate magnetic field of ∼5 T. The Parylene encapsulation provides long-term stability and protection against additional lithography steps, enabling vertical device integration in multilayer electronics on a flexible platform.

Facile Preparation of High-Performance Reduced Graphene Oxide (RGO)/Copper (Cu) Composites Based on Pyrolysis of Copper Formate

Graphene has attracted much interest in many scientific fields because of its high specific surface area, Young’s modulus, fracture strength, carrier mobility and thermal conductivity. In particular, the graphene oxide (GO) prepared by chemical exfoliation of graphite has achieved low-cost and large-scale production and is one of the most promising for Cu matrix composites. Here, we prepared a high strength, high electrical conductivity and high thermal conductivity reduced graphene oxide (RGO)/Cu composite by directly heating the GO/copper formate. The oxygen-containing functional groups and defects of RGO are significantly reduced compared with those of GO. The tensile yield strength and thermal conductivity of RGO/Cu composite with RGO volume fraction of 0.49 vol.% are as high as 553 MPa and 364 W/(m·K) at room temperature, respectively. The theoretical value of the tensile yield strength of the composite is calculated according to the strengthening mechanism, and the result shows that it agrees with the experimental value. After hot-rolling treatment, the ductility and conductivity of the composite materials have been greatly improved, and the ductility of the RGO/Cu composite with RGO volume fraction of 0.49 vol.% has been increased to four times the original. This work provides a highly efficient way to fabricate a high-performance RGO-reinforced Cu composite for commercial application.

Fine Purification Engineering Enables Efficient Perovskite QLEDs with Efficiency Exceeding 23.

Perovskite quantum dots (PeQDs) have great application prospects in fields such as displays and solar cells due to their adjustable band gap, high absorption coefficient, high carrier mobility, and solution processability. However, the ionic crystal characteristic of PeQDs and their surface ligands have led to problems such as solvent sensitivity, poor crystal stability, and difficulty in adjusting the photoelectric properties, which are challenges in high-quality PeQDs. Here, to solve the problem of fluorescence degradation caused by phase change and loss of surface ligands during the purification process of CsPbI3 QDs, this work develops a purification strategy that finely regulates the polarity of the purification solvent, to obtain high-purity perovskite. This strategy can tune the surface ligand concentration and optoelectronic properties while maintaining the crystal stability. The optimized purification process enables the quantum dots to maintain the same level of luminescence performance as the original solution (PLQY is ∼90%). Meanwhile, the electrical properties are improved to significantly increase the exciton recombination rate under an electrical drive. Finally, a highly efficient QLED with an external quantum efficiency of exceeding 23% can be achieved. This scheme for fine purification of CsPbI3 QDs will provide some inspiration for the development of efficient PeQDs and the realization of high-performance optoelectronic devices.

Physiochemical and electrical activities of nano copper oxides synthesised via hydrothermal method utilising natural reduction agents for solar cell application

Abstract The aim of this study is to explore the potential compatibility of copper oxide nano-powders synthesised via hydrothermal method for solar cell applications by triggering a reaction between copper acetate and various reducing agents derived from natural resources, including Arabic gum, molasses, starch, and vinegar. X-ray diffraction analysis revealed the crystalline phases of the synthesised materials, indicating the successful synthesis of copper oxide material, which was confirmed by identifying patterns that matched specific copper oxide phases. Fourier transform infrared spectroscopy was employed to analyse the molecular vibrations and chemical compounds present in the reducing agents. The reducing properties of the selected materials and their capacity to convert copper acetate into copper oxide were validated. Field-emission microscopy and transmission electron microscopy analyses of the synthesised copper oxide nanoparticles (NPs) revealed variations in particle size and morphology. These variations were dependent on the particular reducing agent utilised during synthesis. Moreover, the carrier concentration, mobility, and resistivity were evaluated as the electrical properties of the spin-coated copper oxide thin films. Hall effect analysis determined that the choice of reducing agent significantly influenced the carrier concentration (n) and mobility (µ) of the films. Remarkably, nano copper oxide films synthesised using starch exhibited irregular spherical grains with porous surfaces. Starch-synthesised samples showed the highest conductivity of n = 1.2 × 1019 cm−3 when compared with those synthesised with other reducing agents. This suggests that the porous surfaces in the starch-synthesised films may have contributed to their enhanced conductivity compared to films synthesised with alternative reducing agents. In summary, the findings emphasised the influence of the reducing agent on the size, morphology, and electrical conductivity of the copper oxide NPs.

Epitaxial growth of high-quality Mg3Sb2 thin films on annealed c-plane Al2O3 substrates and their thermoelectric properties

Abstract High-quality epitaxial Mg3Sb2 thin films are promising thermoelectric materials to enable practical applications of compact and environmentally friendly thermoelectric conversion at room temperature. In this study, high-quality single-crystal Mg3Sb2 with high c-plane orientation were epitaxially grown directly on annealed c-Al2O3 substrates without passive layers. These thin films exhibited three times higher thermoelectric power factor than ever reported values due to high carrier mobility. The ultra-smooth surface of the annealed c-Al2O3 substrate facilitated the formation of high-quality Mg3Sb2 thin films without passive layers or polycrystalline interfaces that could be carrier scatters.

Uniaxial‐Stress Driven Performance Enhancement of Multi‐Beam Spark Plasma Sintered BiSbTe/Epoxy Flexible Films

AbstractThe multi‐beam discharge plasma sintering (MB‐SPS) method is successfully applied to the preparation of Bi2Te3‐based thermoelectric (TE) films with insulating substrates. Herein, the impact of uniaxial stress on the microstructure evolution and TE performance are explored systematically. The results indicate that the increase of uniaxial stress promotes the preferential growth of Bi0.5Sb1.5Te3 (BST) grains along the (000l) crystal plane, leading to the remarkable increase in carrier mobility. The maximum (000l) preferential orientation factor reaches 80% for the BST/epoxy (EP) film sintered under 25 MPa, which is 3.08 times higher than that of BST/EP film sintered at 10 MPa. While the highest power factor reaches 2.36 mW m−1 K−2 at 300 K for the BST/EP film sintered under 20 MPa, increased by 97% as compared with that of the film sintered under 10 MPa. This work once again confirms that the MB‐SPS technology is an effective approach to prepare high‐performance Bi2Te3‐based films with insulating substrates and demonstrates that the (000l) preferential orientation and TE performance of the films can be further enhanced by an appropriate uniaxial stress.

Transparent Recombination Layers Design and Rational Characterizations for Efficient Two-Terminal Perovskite-Based Tandem Solar Cells.

Two-terminal (2T) perovskite-based tandem solar cells (TSCs) arouse burgeoning interest in breaking the Shockley-Queisser (S-Q) limit of single-junction solar cells by combining two subcells with different bandgaps. However, the highest certified efficiency of 2T perovskite-based TSCs (33.9%) lags behind the theoretical limit (42-43%). A vital challenge limiting the development of 2T perovskite-based TSCs is the transparent recombination layers/interconnecting layers (RLs) design between two subcells. To improve the performance of 2T perovskite-based TSCs, RLs simultaneously fulfill the optical loss, contact resistance, carrier mobility, stress management, and conformal coverage requirements. In this review, the definition, functions, and requirements of RLs in 2T perovskite-based TSCs are presented. The insightful characterization methods applicable to RLs, which are inspiring for further research on the RLs both in 2T perovskite-based two-junction and multi-junction TSCs, are also highlighted. Finally, the key factors that currently limit the performance enhancement of RLs and the future directions that should be continuously focused on are summarized.