Carrier Transit Research Articles

First‐Principles Calculation of SnSe2 Material as Anode Material of Zinc Ion Battery

ABSTRACTThe development of high‐performance ion battery anode materials is conducive to the rapid development of urban rail transit. Based on first‐principles calculations, this paper studies the potential performance of the recently discovered two‐dimensional material SnSe2 as a negative electrode for zinc ion batteries. By calculating the adsorption energy, the most stable adsorption configuration of Zn was determined. The band gap of intrinsic SnSe2 decreases after strain, which promotes the transition of carriers. The band gap opens after the strain occurs in the Zn adsorbed SnSe2 system (Zn‐SnSe2), which confirms the regulation of strain on the band gap. The lowest diffusion barrier of Zn is 0.083 eV. The theoretical zinc storage capacity is calculated to be 387.550 mAh/g. The calculation results provide theoretical parameters for the application of SnSe2 in ion batteries.

Methods in fluctuation (noise) spectroscopy and continuous analysis for high-throughput measurements

Abstract Fluctuation (noise) spectroscopy is widely used to investigate the low-frequency dynamics of charge carriers in condensed-matter systems, aiming to (i) improve the performance of micro- and nanoscale electronic devices and sensors, and (ii) use ‘noise as a signal’ in order to fundamentally investigate the microscopic motion and transitions of charge carriers coupled to the low-lying excitations in solids. Here, we focus on measurements of the ubiquitous 1 / f -type fluctuations, often composed by a superposition of (independent or correlated) two-level systems each giving rise to a Lorentzian spectrum, denoted random telegraph noise in the time domain. We briefly review the basic concepts of noise and fluctuations and give a comprehensive overview of state-of-the-art measuring techniques, using both commercially available signal analyzers and custom software in order to perform the spectral analysis of the recorded time signals, and critically evaluate their advantages and drawbacks. We describe how to use fast data acquisition devices in a cross-correlation setup providing additional quantitative information on the magnitude of uncorrelated instrument noise, and demonstrate the mathematical intricacies of extracting the noise spectra. We introduce a new method for high-throughput measurements by automated spectral analysis based on the concept of Continuous Analysis. We demonstrate the potential of this technique, working towards a FAIR data workflow, by measurements of magnetic flux noise within the hysteresis loop of ferromagnetic nanostructures.

Photovoltage-Driven Photoconductor Based on Horizontal p-n-p Junction.

The photoconductive gain theory demonstrates that the photoconductive gain is related to the ratio of carrier lifetime to carrier transit time. Theoretically, to achieve higher gain, one can either prolong the carrier lifetime or select materials with high mobility to shorten the transit time. However, the former slows the response speed of the device, while the latter increases the dark current and degrades device sensitivity. To address this challenge, a horizontal p-n-p junction-based photoconductor is proposed in this work. This device utilizes the n-region as the charge transport channel, with the charge transport direction perpendicular to the p-n-p junction. This design offers two advantages: (i) the channel is depleted by the space charge layer generated by the p and n regions, enabling the device to maintain a low dark current. (ii) The photovoltage generated in the p-n junction upon light absorption can compress the space charge layer and expand the conductive path in the n-region, enabling the device to achieve high gain and responsivity without relying on long carrier lifetimes. By adopting this device structure design, a balance between responsivity, dark current, and response speed is achieved, offering a new approach to designing high-performance photodetectors based on both traditional materials and emerging nanomaterials.

Solar-blind ultraviolet photodetector derived from direct carrier transition beyond the bandgap of CdPS3 single crystals

Solar-blind ultraviolet photodetector derived from direct carrier transition beyond the bandgap of CdPS3 single crystals

Calculation of the Activation Energy of Electrical ε2‐Conductivity of Weakly Compensated Semiconductors

A model of tunneling (jumping) migration of charge carriers near their mobility edge in the upper band of neutral states of majority hydrogen‐like impurities is proposed to calculate the energy of thermal activation of electrical ‐conductivity of weakly compensated semiconductors. The difference from the known Hubbard model consists in the scheme of interimpurity transitions of charge carriers and in the method of calculating the position of their tunnel mobility edge. The drift mobility edge of free charge carriers corresponds to the thermal ionization energy of majority impurities , which is located near the c‐band bottom or the v‐band top in n‐ and p‐type semiconductors, respectively, and is due to the overlap of excited states of electrically neutral majority impurities. The position of the tunnel mobility edge for ‐conductivity is determined by taking into account the Coulomb interaction of the majority impurities in the charge states and . It is assumed that doping and compensating impurities form a single simple nonstoichiometric cubic lattice in a crystal matrix. The calculations of the activation energy on the insulator side of the insulator–metal concentration phase transition for weakly compensated p‐Si:B, n‐Si:P, and n‐Ge:Sb crystals quantitatively agree with known experimental data.

In-Sublattice Carrier Transition Enabled Polarimetric Photodetectors with Reconfigurable Polarity Transition.

Miniaturized polarimetric photodetectors based on anisotropic two-dimensionalmaterials attract potential applications in ultra-compact polarimeters. However, these photodetectors are hindered by the small polarization ratio values and complicated artificial structures. Here, a novel polarization photodetector based on in-sublattice carrier transition in the CdSb2Se3Br2/WSe2 heterostructure, with a giant and reconfigurable PR value, is demonstrated. The unique periodic sublattice structure of CdSb2Se3Br2 features an in-sublattice carrier transition preferred along Sb2Se3 chains. Leveraging on the in-sublattice carrier transition in the CdSb2Se3Br2/WSe2 heterostructure, gate voltage has an anisotropic modulation effect on the band alignment of heterostructure along sublattice. Consequently, the heterostructure exhibits a polarization-tunable photo-induced threshold voltage shift, which provides reconfigurable PR values from positive (unipolar regime) to negative (bipolar regime), covering all possible numbers (1→+∞/-∞→-1). Using this anisotropic photovoltaic effect, gate-tunable polarimetric imaging is successfully implemented. This work provides a new platform for developing next-generation highly polarimetric optoelectronics.

Infrared Photodetector Based on van der Waals MoS2/MoTe2 Hetero‐Bilayer Modulated by Photogating

AbstractPhotodetectors based on 2D hetero‐bilayers can overcome the bandgap limitations of individual 2D monolayers and operate at relatively long wavelengths. However, ultra‐low light absorptions within hetero‐bilayers result in extremely weak photoresponsivity. Here, an infrared photodetector based on the MoS2/MoTe2 type‐II hetero‐bilayer is demonstrated to reach a photoresponsivity of 0.55 A W−1 at 1550 nm, well beyond energy band cut‐offs of monolayer MoS2 and MoTe2, primarily resulted from the photogating effect. Raman and photoluminescence (PL) spectroscopy reveal strong interlayer couplings in the hetero‐bilayer, and a broad PL peak around 1550 nm is observed that is ascribed to interlayer transitions of carriers. The photodetector showcases a broadband detection capability from 1100 to 1700 nm, with a peak at 1550 nm corresponding to the interlayer absorption. Electrical characterization of the hetero‐bilayer‐based field‐effect transistor and kelvin probe force microscopy reveal efficient interlayer hole transfer. The highly responsive MoS2/MoTe2 infrared photodetector offers a large photo‐gain of ≈103 and a time constant of 130 ms. The research illuminates how interlayer transitions affect 2D hetero‐bilayer‐based photodetectors and advances the utilization of layered semiconductor heterostructures.

Physical vapour deposition fabrication of MoO3-based photoanode for water splitting to generate hydrogen.

MoO3 thin film was fabricated on an indium tin oxide substrate using the physical vapor deposition technique. X-ray diffraction and scanning electron microscopy study to investigate surface morphology, grain size, and surface structure, which are critical for absorbing solar spectra in water splitting for hydrogen energy generation. Ultraviolet-visible spectroscopy was used to confirm the absorption of solar spectra and the percentage of transmittance. Fourier-transform infrared analysis provided the functional groups present in the deposited thin film. The Tauc plot was used to determine the thin-film band gap, which allowed for the analysis of charge carrier transitions from the conduction band to the valence band. Electrochemical impedance spectroscopy investigations confirmed the charge transfer processes to the counter electrode and electrolyte interfaces. The observed low curve for MoO3 indicated low resistance and allowed efficient charge transfer. Linear sweep voltammetry analysis was used to measure photocurrent and solar light to hydrogen emission when the thin film was exposed to solar spectra. The thin film's observed hydrogen emission rate was 3731.74 mol g-1 h-1, and the STH% of MoO3 was found to be 0.345% at 0.8 V. These findings highlight the promising potential of MoO3 as a material for hydrogen energy generation using solar light.

Manipulating the morphology and charge accumulation driven- Schottky functionalized type II-scheme heterojunction for photocatalytic hydrogen evolution and SERS detection

Inspired by energy conversion and sensing strategies, the construction of a type-II heterojunction proves advantageous in enhancing interfacial charge transfer, redox capabilities, and sensitive detection. Herein, we have developed as-prepared a hierarchical heteronanostructure composed of 2D ultrathin g-C3N4 (g-CN) nanosheets, 3D SrTiO3 (STO) nanocubes, and Ag plasmonic nanoparticles (NPs) with a well-controlled configuration and intimate contact for improved practical applications. This multifunctional heterojunction not only exhibits outstanding hydrogen evolution reaction (HER) performance but also shows excellent SERS detection. The creation of hybrid morphologies and type II schemes contributes to expanding visible light absorption and shortening the path of charge carrier transition. The ternary sample also exhibits an efficient photocatalytic HER rate of 9378 μmol g−1 h−1, which is 13.3 and 26.3 times higher than that of STO (703 μmol g−1 h−1) and g-CN (356 μmol g−1 h−1), respectively. Photoluminescence spectroscopy and linear sweep voltammetry (LSV) measurements suggest that the synergistic effect among g-CN nanosheets, STO nanocubes and Ag contributes to enhanced charge separation, as indicated by the applied potential of −0.9 V vs. saturated Ag/AgCl to obtain a photocurrent density of −15 mA cm−2 for the HER. The obtained STO/g-CN/Ag sample exhibits significant capability in enriching small molecules, facilitating the determination of organic pollutants even at ultralow concentrations. Additionally, it exhibits impressive SERS sensitivity and photocatalytic performance. Crystal Violet (CV) at low concentrations can be distinguished and undergoes almost complete degradation under visible-light illumination. The detection platform exhibits ultralow detection capability down to 10−10 M for CV. The outstanding SERS detection may be assigned to the combined enrichment abilities of g-CN, STO and the localized surface plasmon resonance (LSPR) of Ag NPs. Furthermore, the type-II heterojunction of the ternary photocatalyst and the mechanisms governing charge carrier flow and transfer on the conductive Ag co-catalyst were also investigated. This work provides novel insights and techniques for effectively engineering 3D STO-like semiconductors, facilitating both green energy production and the detection of trace molecules.

Terahertz emission mechanisms in low-temperature-grown and semi-insulating gallium arsenide photoconductive antenna devices excited at above- and below-bandgap photon energies

In this work, the terahertz (THz) time-domain spectroscopy was employed in studying the carrier dynamics in low-temperature grown (LT-) and semi-insulating (SI-) gallium arsenide (GaAs) photoconductive antenna (PCA) at above- ( λ= 780 nm, Eg= 1.59 eV) and below- ( λ= 1.55 µm, Eg 0.80 eV) bandgap excitation. We measured the excitation power dependence of the LT-GaAs (SI-GaAs) THz emission. Then, the equivalent circuit model which considers the (i) photogeneration, (ii) screening effects, and (iii) transport of carriers was utilized in analyzing the THz radiation mechanisms in the above- and below-bandgap excitation of the two substrates. In simulating the above-bandgap THz emission of both PCAs, we employed the direct bandgap excitation model which takes into account the band-to-band transitions of photoexcited carriers. Meanwhile, to simulate the LT-GaAs (SI-GaAs) THz emission at below-bandgap excitation we utilized the two-step photoabsorption facilitated by the mid-gap states. In this model the photoexcited carriers jump from the valence band to the mid-gap states and then to the conduction band. Results suggest that the THz emission from LT-GaAs and SI-GaAs at above- and below-bandgap excitation occur due to band-to-band transitions, and two-step photoabsorption process via midgap states, respectively.

GaN based light emitters

The article discusses the preparation of epitaxial layers and GaN crystals, as well as the results of studies of their optical and luminescent properties. The parameters of the band structure of the resulting hexagonal modification materials ΔCR ≈ 10 meV and ΔSO ≈ 48 meV were determined. The mechanisms of the main recombination processes that determine the formation of radiation from undoped and Zn-doped materials have been established. The role of interband recombination and annihilation of excitons in the formation of radiation in the high-energy region and transitions of carriers through energy states that are formed and created by intrinsic point defects of the crystal lattice and dopant has been established. The role of response recombination processes in the formation of short-wave radiation spectra is analyzed.

Photodetectors Based on ZrS3/MoS2 Heterostructures.

High-performance photodetectors with the detection capability of linearly polarized light have broad applications in both military and civilian fields. Quasi-one-dimensional ZrS3 as an emerging anisotropic two-dimensional material has come under the spotlight owing to its intriguing properties. However, the performance of the ZrS3 photodetector is seriously restricted by its low responsivity. Herein, a novel high-performance photodetector based on the van der Waals ZrS3/MoS2 heterostructure is proposed. Attributed to the charge trapping-assisted photogating effect, interlayer carrier transitions, and fast spatial separation of the photogenerated electron-hole pairs, the device displays superior photoresponse characteristics ranging from the ultraviolet to the visible spectrum in terms of high responsivity up to 212 A/W, an extraordinary external quantum efficiency of 8.5 × 104%, and a prompt rise/decay time of 0.19/0.38 ms. In addition, owing to the profound birefringence and dichroism effects in ZrS3 together with strong light-matter interactions in the heterostructure, profound linear-polarization sensitivity is demonstrated with a dichroic ratio of about 2.8. Overall, this photodetector not only is integrated with the excellent properties of ZrS3 and monolayer MoS2 but also further enhances the advantages through interlayer couplings, which demonstrate the strong potential of the ZrS3-based devices for high-performance, ultrafast, and polarization-sensitive photodetection.

Growth of β-Ga2O3 nanostructures by thermal oxidation of GaN-on-sapphire for optoelectronic devices applications

Heterostructures of wide-bandgap semiconductors, like β-Ga2O3/ GaN, are being used in many high-power, high-frequency electronic and optoelectronic devices. This paper presents the growth of β-Ga2O3 thin film and nanostructures by thermally oxidizing (at 1000 °C) the planar and nano-structured GaN surfaces respectively. The nano-structures of GaN (having 300–500 nm long vertical nano-kinks) are fabricated by metal-assisted chemical etching of GaN surface for 1–2 hours. The thermally grown β-Ga2O3 samples are polycrystalline. The chemical analysis of the samples using X-ray photoelectron spectroscopy (XPS) showed enhancement of Ga-O peak intensity (at 20.21–20.3 eV) at the expense of the Ga-N peak intensity (at 19.2–19.7 eV) in the thermal oxidation process. The O1s XPS spectra of the oxidized samples exhibited prominent signature of O2- ions (530.7–530.9 eV) representing the formation of Ga2O3 with presence of adsorbed hydroxyl group at the surface (532.2 – 532.4 eV). The valance band XPS spectra disclosed the formation of an additional Ga(4 s)–O(2p) hybridization energy state, and the valence band maxima increased from 2.3 eV to 3.25 eV. The Raman spectra of the oxidized samples exhibited multiple Ag and Bg vibrational modes of β-Ga2O3 along with intense E2(high), A1(LO) modes of GaN. The time-resolved photoluminescence spectra of the samples demonstrated fast transition of charge carriers from excited state to ground state with 460–820 pico-seconds average career lifetime.

Feasibility of zero emission freight zones: scenario analysis and risk assessment

To further incentivize the adoption of zero-emission trucks (ZETs), Chinese cities would need more proactive policies like zero-emission freight zones (ZEFZs). However, the design of the policy should avoid the disruption of goods supply, increase of logistic costs, and ensure inclusive transition of small carriers and financial sustainability for city governments. To this end, this study employs Beijing as a case: Based on ZEFZ case studies, policy document and literature review, and data analysis of freight demand distribution and truck movements in Beijing, this study constructs four scenarios with different spatial coverages, restricted truck segments, and roll-out years of ZEFZs. The impacts of different ZEFZ scenarios on emissions reduction potentials, goods supply and vehicle fleet replacement, and public and private expenditure are evaluated. The most cost-efficient and easy-to-implement scenario is recommended as the initial phase of the ZEFZ scheme, with risk assessment and risk mitigation measures.

Analytical models of the electric field and carrier transit time in the base of bipolar junction transistors

The conventional theory of the bipolar junction transistor (BJT) does not clarify the electric field and its effect on the carrier transit in the uniformly doped base region, although the electric field is considered to be a second-order effect at high-level injection. In this study, analytical models of the carrier distribution, electric field, and carrier transit time in the base region are developed without making additional assumptions. It is found that the electric field may change direction, from forward to reverse, as long as the injection level reaches a criterion, affecting the carrier transport behavior. The models are based on the renovated p–n junction theory, provide insight into the carrier transit and are able to cover all levels of injection without the need to handle the low- and high-level injection separately. These models hold significance in retrieving the theoretical integrity of bipolar junction devices, and can be useful for further investigation in structure design, capacitance control, and AC performance optimization of the p–n junction-based device.

Enhancing carrier collection in CsPbBr3 solar cells through crystal orientation and defect passivation

All-inorganic carbon-based CsPbBr3 perovskite solar cells (PSCs) have gained growing interest for their remarkable stability. However, compared to their organic–inorganic hybrid counterparts, there is still substantial room for improving their performance primarily due to the inferior photogenerated carrier collection efficiency. Here, we employ area-dependent transient photocurrent to assess the carrier transit time in CsPbBr3 PSCs, revealing that an extended carrier transit time relative to the lifetime significantly contributes to their low carrier collection efficiency. To address this challenge, we narrow the gap between carrier transit time and lifetime by introducing a dual-functional additive, serving to facilitate both crystallization orientation and defect passivation. Consequently, we achieve enhanced short-circuit current and efficiency in CsPbBr3 PSCs.

Comprehensive first principles to investigate optoelectronic and transport phenomenon of lead-free double perovskites Ba2AsBO6 (B[dbnd]Nb, Ta) compounds

In the current work we studied the structural, elastics, electrical, optical, thermoelectric, as well as spectroscopic limited maximum efficiency (SLME) of oxide based Ba2AsBO6 (BNb, Ta) materials. All the calculations were performed using first-principles calculation by employing the WIEN2k code. We checked the stability in diverse forms such as optimization, phonon dispersion, mechanical, formation energy, cohesive energy, and thermal stability is computed. The semiconducting nature of these Ba2AsBO6 (BNb, Ta) systems is revealed by calculating the direct band gap values are 1.97 eV and 1.49 eV respectively. Additionally, we determined the optical properties which analyze the utmost absorption and transition of carriers versus photon energy (eV). Moreover, Ba2AsNbO6 has an estimated SLME of 32 %, making it an encouraging alternative for single-junction solar cells. Lastly, we studied the transport properties against temperature, the chemical potential for p-type and n-type charge carriers at various temperatures. At 300 K, the zT values are found to be 0.757 and 0.751 for Ba2AsBO6 (BNb, Ta) compounds respectively. Both materials were examined as having strong absorption patterns and an excellent figure of merit (ZT), indicating that materials are appropriate for daily life applications.

Kaolin Clay-Based Geopolymer for Ionic Thermoelectric Energy Harvesting.

Geopolymers, a class of sustainable inorganic materials derived from natural and recycled resources, hold promise for various applications, including thermoelectric power generation. This study delves into the thermoelectric properties of Ikere white (IKW)-geopolymer, derived from kaolin clay, by employing rigorous measurements of thermal conductivity, electrical conductivity, and Seebeck coefficient. The investigation elucidates the pivotal role of temperature and ions in shaping the thermoelectric performance of IKW-geopolymer. Electrical conductivity analysis pinpoints ions within the geopolymer's channels as primary contributors. Beyond a critical temperature, the evaporation of bulk water triggers a transition of charge carriers from one- to three-dimensional motion, resulting in reduced conductivity. The Seebeck coefficient exhibits a range from -182 to 42 μV/K, with its time-dependent profile suggesting that ions potentially drive thermoelectricity in cementitious materials. Notably, a unique transition from n-type to p-type behavior was observed in the geopolymer, opening new avenues for ionic thermoelectric capacitors. These insights advance our understanding of thermoelectric behavior in geopolymers and have the potential to propel the development of novel building materials for energy conversion applications.

Radiative‐Recombination Thermodynamics in Boron‐Doped Diamond

AbstractBoron‐doped diamond is a wide‐bandgap semiconductor with excellent semiconductor properties, which is widely utilized in various applications. Till now, the thermodynamic rules governing the carrier transitions in this material have not been fully understood. In this research, the different luminescence behaviors of boron‐doped diamond under 193 nm pulse laser with high‐ and low‐ power density excitation are analyzed. Under high‐power density excitation (@≈63 kW cm−2), the emission intensity of excitons is nearly ten times higher than that of defect luminescence. Conversely, under low‐power density excitation (@≈1.4 kW cm−2, different emission peaks exhibit similar intensities, indicating a competitive relationship among them. Based on experimental and theoretical analyses, the difference is attributed to the thermodynamic distribution of carriers at varying excitation powers. Specifically, high excitation power brings an independent behavior of each emission peak, and the exciton emission is described by a phonon‐assisted radiation model; different from that, the competition among different emission centers under the condition of low excitation power cannot be neglected, and now the thermodynamic evolution of each emission peak is described by a carrier trapping‐dissociation model.

Robust Magnetic Proximity Induced Anomalous Hall Effect in a Room Temperature van der Waals Ferromagnetic Semiconductor Based 2D Heterostructure.

Developing novel high-temperature van der Waals ferromagnetic semiconductor materials and investigating their interface coupling effects with 2D topological semimetals are pivotal for advancing next-generation spintronic and quantum devices. However, most van der Waals ferromagnetic semiconductors exhibit ferromagnetism only at low temperatures, limiting the proximity research on their interfaces with topological semimetals. Here, an intrinsic, van der Waals layered room-temperature ferromagnetic semiconductor crystal, FeCr0.5 Ga1.5 Se4 (FCGS), is reported with a Curie temperature (TC ) as high as 370K, setting a new record for van der Waals ferromagnetic semiconductors. The saturation magnetization at low temperature (2K) and room temperature (300K) reaches 8.2 and 2.7emug-1 , respectively. Furthermore, FCGS possesses a bandgap of ≈1.2eV, which is comparable to the widely used commercial silicon. The FCGS/graphene 2D heterostructure exhibits an impeccably smooth and gapless interface, thereby inducing a robust van der Waals magnetic proximity coupling effect between FCGS and graphene. After the proximity coupling, graphene undergoes a charge carrier transition from electrons to holes, accompanied by a transition from non-magnetic to ferromagnetic transport behavior with robust anomalous Hall effect (AHE). Notably, the van der Waals magnetic proximity-induced AHE remains robust even up to 400K.