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Copyright of Rare Metals is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Recently, the application of two–dimensional (2D) piezoelectric materials has been seriously hindered because most of them possess only in–plane piezoelectricity but lack out–of–plane piezoelectricity. In this work, using first–principles calculation, by atomic substitution of penta–graphene (PG) with tiny out–of–plane piezoelectricity, we design and predict stable 2D X–PG (X = Si or Ge) semiconductors with excellent in–plane and out–of–plane piezoelectricity and extremely high in–plane hole mobility. Among them, Ge–PG exhibits better performance in all aspects with an in–plane strain piezoelectric coefficient d11 = 8.43 pm/V, an out–of–plane strain piezoelectric coefficient d33 = −3.63 pm/V, and in–plane hole mobility μh = 57.33 × 103 cm2 V−1 s−1. By doping Si and Ge atoms, the negative Poisson's ratio of PG approaches zero and reaches a positive value, which is due to the gradual weakening of the structure's mechanical strength. The bandgaps of Si–PG (0.78 eV) and Ge–PG (0.89 eV) are much smaller than that of PG (2.20 eV), by 2.82 and 2.47 times, respectively. This indicates that the substitution of X atoms can regulate the bandgap of PG. Importantly, the physical mechanism of the out–of–plane piezoelectricity of these monolayers is revealed. The super–dipole–moment effect proposed in the previous work is proved to exist in PG and X–PG, i.e., it is proved that their out–of–plane piezoelectric stress coefficient e33 increases with the super–dipole–moment. The e33–induced polarization direction is also consistent with the super–dipole–moment direction. X–PG is predicted to have prominent potential for nanodevices applied as electromechanical coupling systems: wearable, ultra–thin devices; high–speed electronic transmission devices; and so on. [ABSTRACT FROM AUTHOR]

Bi6Cu2Se4O6 is considered as an ideal n‐type thermoelectric material to pair with p‐type BiCuSeO for preparing oxyselenide‐based thermoelectric devices, but its thermoelectric performance is limited by poor electrical conductivity. In this research, the reduced graphene oxide (rGO) nanosheets are introduced into Bi6Cu2Se3.6Cl0.4O6 matrix through liquid‐phase shear exfoliation to modify the microstructure. rGO can insert into matrix grains as intercalations, or embed into grain boundaries as wetting phase, and prompt grain alignment, which contributes to the significantly enhanced carrier mobility, thus leading to an improvement in electrical conductivity from ≈15 S cm−1 to ≈230 S cm−1 at 303 K. Whereafter, the effective donor dopant Nb is chosen to substitute Bi. The carrier concentration is increased without damaging the carrier mobility, resulting in a further improved electrical conductivity of ≈840 S cm−1 at 303 K. Lattice thermal conductivity is also suppressed owing to the intensive phonon scattering by point defects and grain boundaries. Ultimately, a record‐breaking peak ZT ≈0.5 (873 K) and average ZT ≈0.3 (303–873 K) can be achieved in Bi5.91Nb0.09Cu2Se3.6Cl0.4O6 + 0.5% rGO. The microstructure optimization method in this research effectively improves thermoelectric performance, and is anticipated to be applied in other thermoelectrics. [ABSTRACT FROM AUTHOR]

The two‐dimensional (2D) monolayer material MoSi2N4 was successfully synthesized in 2020[Hong et al., Science 369, 670, (2020)], exhibiting a plethora of new phenomena and unusual properties, with good stability at room temperature. However, MA2Z4 family monolayer materials involve primarily transition metal substitutions for M atoms. In order to address the research gap on lanthanide and actinide MA2Z4 materials, this work conducts electronic structure calculations on novel 2D MSi2N4 (M = La, Eu) monolayer materials by employing first‐principles methods and CASTEP. High carrier mobility is discovered in the indirect bandgap semiconductor 2D LaSi2N4 monolayer (~5400 cm2 V−1 s−1) and in the spin (spin‐down channel) carrier mobility of the half‐metallic ferromagnetic EuSi2N4 monolayer (~2800 cm2 V−1 s−1). EuSi2N4 monolayer supplements research on spin carrier mobility in half‐metallic ferromagnetic monolayer materials at room temperature and possesses a magnetic moment of 5 μB, which should not be underestimated. Furthermore, due to the unique electronic band structure of EuSi2N4 monolayer (with the spin‐up channel exhibiting metallic properties and the spin‐down channel exhibiting semiconductor properties), it demonstrates a 100% spin polarization rate, presenting significant potential applications in fields such as magnetic storage, magnetic sensing, and spintronics. [ABSTRACT FROM AUTHOR]

PbSnS2 crystals have the advantage of high performance and low cost as emerging thermoelectric materials. Herein, thermoelectric properties of PbSnS2 crystals are substantially boosted through the strategy of lattice plainification to manipulate micro‐defect. By introducing Ni elements into n‐type PbSnS2, the intrinsic Pb/Sn cation vacancies are compensated by Ni, achieving a plainer lattice and higher carrier mobility. Meanwhile, the charge density is enhanced due to the orbital hybridization between the 3d orbital of Ni and the 3p orbital of the neighboring S, further facilitating the carrier transport. Consequently, an ultrahigh carrier mobility of ≈312 cm2 V−1 s−1 in n‐type PbSnS2+0.0010Ni crystal is obtained with a largely enhanced ZT of ≈0.6 at 300 K along the in‐plane direction, and a maximum ZT of ≈1.2 can be obtained at 473 K. Moreover, a 7‐pair thermoelectric device composed of n‐type PbSnS2+0.0010Ni crystal and p‐type commercial Bi0.4Sb1.6Te3 is fabricated, which can produce a cooling temperature difference of ≈19.4 K. And a single‐leg device composed of the PbSnS2+0.0010Ni crystal realizes a maximum power generation efficiency of ≈2.7%. The work further optimizes the low‐cost and earth‐abundant PbSnS2 crystals as potential application candidates in thermoelectric cooling and power generation. [ABSTRACT FROM AUTHOR]

To explore the potential photocatalytic performance of SnS2 nanotube, we have employed density functional theory (DFT) to predict the photocatalytic performance of SnS2 single-walled nanotubes with HSE06 as exchange–correlation function. The strain energy and formation energy data show that the process of rolling up nanotube is endothermic and those related values decrease with the increasing radius as expected. Interestingly, the band gap values of SnS2 nanotube are significantly reduced compared to that of the monolayer, and increase gradually with the increase of the diameter of the nanotube (band gap from 1.67 to 2.58 eV) which should be used in visible light region. Remarkably, the electron mobility of the (50, 0) nanotube was 1454.76 cm2 V−1 s−1, while the hole mobility of nanotube was only 54.94 cm2 V−1 s−1, and the value difference in carrier mobility could promise low electron–hole recombination rate. The band gap edge position of SnS2 nanotubes confirmed that their powerful oxidation capacity. Combined with the above calculations, we hope that our research will provide a possible way to design novel photocatalysts. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) semiconductors are widely regarded as promising contenders for the next generation of optoelectronics and microelectronics, rendering the development of novel 2D semiconductors a focal point in current research. In this study, our attention is directed towards the non-van der Waals material Cu6GeWS8, where we have successfully predicted a stable 2D monolayer, designated as 2D Cu6GeWS8. This monolayer exhibits a direct bandgap of 1.709 eV, which maintains its robustness under biaxial strain ranging from −4% to 3%. Remarkably, the monolayer Cu6GeWS8 showcases high hole mobility and demonstrates a moderate optical absorption coefficient across the visible and ultraviolet spectra. Notably, our investigation reveals that the monolayer Cu6GeWS8 possesses an exceptionally low lattice thermal conductivity of 0.593 W m−1 K−1 at room temperature. These findings underscore the excellent physical characteristics of the predicted monolayer Cu6GeWS8, positioning it as a promising candidate for advanced low-dimensional devices. [ABSTRACT FROM AUTHOR]

Abstract Graphene Nano Scrolls (GNSs) and Zigzag graphene nanoscrolls (ZGNSs) are semi-one-dimensional materials with exceptional electrical and optical properties, making them attractive to be used in nanoelectronics and complementary metal–oxide–semiconductor (CMOS) technology. With in CMOS device technology, time delay is a crucial issue in the design and implementation of CMOS based ZGNSs. Current paper focus is on ZGNSs application in the channel area of metal–oxide–semiconductor field-effect transistors (MOSFETs) in CMOS technology. We studied analytically, the importance of different parameters on time delay reduction, resulting in faster switching and higher frequency in integrated circuits (ICs). The results of this research demonstrates that, the ZGNS-based CMOS proves considerable variations in the current due to the geometrical parameters, such as chirality number, channel length, and nanoscroll length which can be engineered to produce faster ICs.

Thermoelectric cooling has gained much attention due to its significant application in 5G communication chip cooling. Enhancing the performance of thermoelectric cooling devices is an imminent and pressing concern. Applying the same material for both n‐type and p‐type components can promote the compatibility of thermoelectric cooling module due to their similar mechanical properties. This work focuses on the development of thermoelectric cooling module based on n‐type and p‐type PbTe ingots. The high ZT values near room temperature are achieved through fabricating PbTe ingots. This approach substantially enhances the carrier mobility by minimizing charge carrier scattering at grain boundaries compared to polycrystals. These optimized ingots are then utilized to construct a thermoelectric cooling device consisting of seven pairs of thermoelectric couples, which achieves a maximum cooling temperature difference of ≈14 K at room temperature and ≈28 K at 350 K. This study offers fresh insights into the development of thermoelectric cooling module using PbTe‐based materials. [ABSTRACT FROM AUTHOR]

Developing cathode materials for aqueous zinc‐ion batteries (ZIBs) that offer high capacity, rapid charge–discharge rates, and prolonged cycle life remains a significant challenge. This study explores the use of zipper‐type Bi2O2Se nanoplates modified by selenium vacancy (Vse) modulation, which reduces electron scattering, enhances carrier mobility in [Bi2O2] conducting channels, and decreases coulombic interactions within electrostatic layers. The introduction of Se vacancies facilitates electron transfer from the host to [Bi2O2] channels and reduces scattering in the [Bi2O2] framework, thus improving carrier mobility. These Se‐poor Bi2O2Se nanoplates demonstrate a greater affinity for zinc ions, reduced diffusion barriers, and faster transport kinetics, which enable more efficient Zn‐ion insertion, tripling the electrochemical capacity, improving rate capabilities, and extending cycling life. Enhancements such as reinforced structural integrity and expanded interlayer spaces support a dual Zn‐ion‐driven mechanism involving both insertion and conversion reactions, essential for superior electrochemical storage performance. The results include an impressive discharge/charge capacity of 380.3 mA h g−1 at 0.1 A g−1, a cycle life of up to 10 000 cycles at 5 A g−1, and a current tolerance exceeding 10 A g−1. This research highlights how nano‐ and defect engineering of Bi2O2Se can significantly enhance ionic conductivity, expedite electron transfer, and improve Zn‐ion diffusion. [ABSTRACT FROM AUTHOR]

Double perovskite materials have gradually become widely studied due to their potential applications in solar cells and other optoelectronic devices. We take Cs2NaFeCl6 as an example to investigate the carrier mobility with respect to the acoustic phonon and the optical phonon scattering mechanisms. By considering the deformation potential, carrier effective mass, and bulk modulus, the longitudinal acoustic (LA) phonon-determined mobilities for electrons and holes in Cs2NaFeCl6 are found to be μe = 2886.08 cm2 v−1 s−1 and μh = 39.09 cm2 v−1 s−1, respectively. The optical scattering mechanism involves calculating the Fröhlich coupling constant, dielectric constant, and polaron mass to determine the multiple polar optical (PO) phonon-scattering-determined mobilities, resulting in μe = 279.25 cm2 v−1 s−1 and μh = 21.29 cm2 v−1 s−1, respectively. By combining both interactions, the total electron mobility and hole mobility are determined to be 254.61 cm2 v−1 s−1 and 13.78 cm2 v−1 s−1, respectively. The findings suggest that the polarization of both electrons and ions, small coupling constant, and bulk modulus in Cs2NaFeCl6's lattice make PO scattering a significant contribution to carrier mobility in this specific double perovskite, highlighting the importance of considering this in enhancing the optoelectronic properties of Cs2NaFeCl6 and other double perovskites. [ABSTRACT FROM AUTHOR]

Copyright of Rare Metals is the property of Springer Nature and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)

Thermoelectric energy conversion technology is considered as one of the most promising solutions for recovering waste heat generated by fossil fuel combustion. As typical types of thermoelectric materials in the middle and high‐temperature range (500–900 K), binary IV‐VI (IV = Ge, Sn, Pb; VI = Se, Te) compounds are extensively studied. Lately, the obtained high‐performance thermoelectric solid solutions between IV‐VI and I‐V‐VI2 (I = Li, Na, K, Ag, Cu; V = Sb, Bi; VI = S, Se, Te) compounds have brought those complex chalcogenides back to the central point of thermoelectric community due to the emerging rich physical phenomena. Profiting from this effective approach, unveiling the underlying mechanism and understanding of alloying effect on the transport properties of these solid solutions becomes particularly significant. This review presents the latest progress in designing high‐performance IV‐VI/I‐V‐VI2 solid solutions and the underlining physical mechanisms, in which detailed discussion about the role of I‐V‐VI2 compounds play in optimizing individual properties of IV‐VI materials is made. This comprehensive review highlights the multiple effects of I‐V‐VI2 alloying on thermoelectric properties of IV‐VI compounds and will drive the related research interests aiming at developing new‐generation thermoelectric compounds in this family. [ABSTRACT FROM AUTHOR]

The morphology of organic films plays a pivotal role in determining the performance of transistor devices. While the dip-coating technique is capable of producing highly oriented organic films, it often encounters challenges such as limited coverage and the presence of defects in gaps between strips, adversely affecting device performance. In this study, we address these challenges by increasing solution viscosity through the incorporation of a substantial proportion of dielectric polymers, thereby enhancing the participation of additional molecules during the film formation process when pulled up. This method produces continuous and oriented organic films with a notable absence of gaps, significantly improving the carrier mobility of transistor devices by more than twofold. Importantly, the fabricated devices exhibit remarkable reliability, showing no hysteresis even after 200 cycles of measurement. Furthermore, the current and threshold voltages of the devices demonstrate exceptional stability, maintaining steady after 10,000 s of bias measurement. This approach provides a solution for the cost-effective and large-scale production of organic transistors, contributing significantly to the advancement of organic electronics. [ABSTRACT FROM AUTHOR]

In this paper, a new GaSe/ZnS van der Waals heterostructure (vdWH) is devised and subjected to systematic analysis through first principles calculations in terms of its geometric, electronic and transport properties. The stability of GaSe/ZnS vdWH is verified through binding energy, phonon spectrum, and ab initio molecular dynamics (AIMD) simulation. Additionally, detailed calculations of plane average electron density difference and average electrostatic potential in the features of GaSe/ZnS vdWH interface are provided. The results show that GaSe/ ZnS vdWH comprises a heterostructure with a direct band gap of 2.19 eV and high carrier mobility. Among them, the electron mobility along the x direction reaches 1 394.63 cm²V-1⋅s-1, while the electron mobility along the y direction reaches 1 913.18 cm² ⋅V-1 ⋅s-1, demonstrating excellent performance and potential applications in electronic nano devices. [ABSTRACT FROM AUTHOR]

This study reports on the deposition of highly transparent conducting n-type zinc oxide (ZnO) thin films on FTO substrates, via an optimized doping process. Our work is focused on doping zinc oxide with vanadium (V) using spray pyrolysis technique and ensure the synthesis of nanoparticles-shaped ZnO, with an improved optical, microstructural and electrical properties for solar cells applications, as optical window material. Undoped and V-doped ZnO thin films, with careful optimized amounts (2, 4, 6 and 8 at.%), were grown at maintained 550∘C pre-heated substrate during the deposition process, which enables us to obtain nano-sized ZnO particles. We proved that 4 at.% is the optimum V content that enhances the crystallinity of the grown thin film noticeably. With an average transmittance of 80%, the deposited thin films revealed high transparency in the visible domain with a slight decrease in optical transmission which might result from additional scattering. UV-Visible analysis showed that increasing V amounts, a resulting decrease in the energy bandgap ( E g ) is obtained from 3.26 eV to 3.17 eV for 4 at.% of V content. Moreover, deep level defects in zinc oxide can be reduced with vanadium doping and consequently strengthen the UV emission. The UV emission peak intensity rises with increasing V-doping amount then decreases slightly at 8% of V content. The electrical properties measurements showed a decrease in resistivity from 2.8 10 − 2 Ω ⋅ cm to 0.9 10 − 2 Ω ⋅ cm when doping with 4 at.% of V. The crucial effect of the V-doping of ZnO was also demonstrated via the enhancement of carrier mobility that attains 38.5 cm2/V ⋅ s at the optimum vanadium content. The photocurrent analysis revealed much higher visible light absorption in the V-doped zinc oxide thin films than that of undoped film. The photocatalytic activity enhancements are attributed to the lower recombination rate of the photogenerated electron-hole pairs, the narrowed bandgap, yielding a higher photocatalytic performance. [ABSTRACT FROM AUTHOR]

Creating heterojunctions by combining two-dimensional (2D) materials is an efficient strategy for enhancing photocatalytic efficiency. In this work, the density functional theory was employed to model a van der Waals heterojunction consisting of a monolayer of g-C 3 N 4 and a monolayer of β-ZrNBr. The electronic band configurations, carrier mobility, and catalytic capabilities of the oxygen evolution reaction (OER) and hydrogen evolution reaction (HER) were investigated. The impact of biaxial strain on the band edge positions and structural band formations of the g-C 3 N 4 /β-ZrNBr heterojunction was also studied. The effective mass of electrons (m e */m o = 0.571) and holes (m h */m o = −2.667) in the g-C 3 N 4 /β-ZrNBr heterojunction is lower than that of a monolayer of g-C 3 N 4 (m e */m o = 1.995, m h */m o = −2.964). It is predicted that the g-C 3 N 4 /β-ZrNBr heterojunction has a higher carrier mobility than a monolayer of g-C 3 N 4. For the HER, the g-C 3 N 4 /β-ZrNBr heterojunction has a lowest Gibbs free energy ( Δ G H * ), only 0.081 eV under neutral conditions. For the OER, the g-C 3 N 4 /β-ZrNBr heterojunction can undergo spontaneous reactions under neutral conditions. This study provides a theoretical basis for the preparation of a novel g-C 3 N 4 /β-ZrNBr heterojunction photocatalytic material and serves as a reference for photocatalytic water splitting and other photoelectric applications. [Display omitted] • The lattice mismatch rate of g-C 3 N 4 and ZrNBr monolayer is only 2.59%. • g-C 3 N 4 /ZrNBr has a lower indirect band gap of 2.06eV. • g-C 3 N 4 /ZrNBr exhibits high carrier mobility. • The highest visible light absorption rate of g-C 3 N 4 /ZrNBr can reach 20%. • The corrected Gibbs free energy for HER of g-C 3 N 4 /ZrNBr is 0.081 eV. [ABSTRACT FROM AUTHOR]

Exploration of low‐dimensional Pb‐free halide perovskites with high stability and outstanding properties is still a pursuing target for developing integrated optoelectronic devices. Herein, comprehensive computational screening of a new class of two‐dimensional (2D) all‐inorganic Pb‐free A3B2X9 perovskites is performed based on the first‐principles calculations. The results indicate that the structural and electronic properties of 2D A3B2X9 structures strongly depend on the B‐X bonding interactions, which makes that their thermodynamic stability follows the trend of A3Bi2X9≈A3Sb2X9>A3In2X9>A3Ga2X9 and their interlayer interactions show a reversal trend. Owing to the lack of lone‐pair electron effect, A3In2X9 indicate direct bandgap characteristics and present the relatively smaller bandgaps and higher electron mobilities than A3Sb2X9 and A3Bi2X9. Benefit from optimal bandgaps (0.8–2.1 eV) and large absorption coefficients (104–105 cm−1) in the visible region, A3B2I9 (B = In, Sb, Bi) exhibit high power conversion efficiency up to 18.2%. Moreover, A3B2I9 (B = Sb, Bi) is verified as efficient photocatalysts for overall water splitting. The theoretical solar‐to‐hydrogen efficiency of Rb3Bi2I9 and Cs3Bi2I9 are >16%. This work suggests huge potential of 2D A3B2X9 perovskites for photovoltaic and photocatalytic applications. [ABSTRACT FROM AUTHOR]

Two-dimensional material indium selenide (InSe) holds great promise for applications in electronics and optoelectronics by virtue of its fascinating properties. However, most multilayer InSe-based transistors suffer from extrinsic scattering effects from interface disorders and the environment, which cause carrier mobility and density fluctuations and hinder their practical application. In this work, we employ the non-destructive method of van der Waals (vdW) integration to improve the electron mobility of back-gated multilayer InSe FETs. After introducing the hexagonal boron nitride (h-BN) as both an encapsulation layer and back-gate dielectric with the vdW interface, as well as graphene serving as a buffer contact layer, the electron mobilities of InSe FETs are substantially enhanced. The vdW-integrated devices exhibit a high electron mobility exceeding 103 cm2 V−1 s−1 and current on/off ratios of ~108 at room temperature. Meanwhile, the electron densities are found to exceed 1012 cm−2. In addition, the fabricated devices show an excellent stability with a negligible electrical degradation after storage in ambient conditions for one month. Electrical transport measurements on InSe FETs in different configurations suggest that a performance enhancement with vdW integration should arise from a sufficient screening effect on the interface impurities and an effective passivation of the air-sensitive surface. [ABSTRACT FROM AUTHOR]

GeTe is a very promising thermoelectric material, but the presence of massive intrinsic Ge vacancies leads to an overhigh hole concentration and poor thermal stability. Counter doping is commonly employed to reduce the hole concentration, which, however, unavoidably deteriorates the carrier mobility. Here, it is found that the intrinsic hole concentration in the rhombohedral phase is much lower than that in the cubic phase, owing to the higher formation energy of Ge vacancy in the former. With this recognition, the hole concentration of GeTe can be tuned to its optimum value simply by annealing below the phase transition temperature. As a result, "compositional plainification" is realized in the high‐performance GeTe‐based thermoelectrics with significantly reduced amounts of counter dopants and hetero‐alloys. A high carrier mobility of 150 cm2 V−1 s−1 is realized in GeTe at 300 K, which is much higher than that in conventional counter‐doped ones (≤60 cm2 V−1 s−1). More importantly, GeTe‐based compounds, with suppressed intrinsic vacancies, exhibit good thermal stability and reproducibility of thermoelectric performance. A high peak figure of merit, zT, of 2.14 at 670 K is obtained in Ge0.93Bi0.03Pb0.04Te. This work highlights the importance of understanding and regulating the intrinsic vacancy for high‐performance GeTe thermoelectrics. [ABSTRACT FROM AUTHOR]

In order to reduce band gap of 6H-SiC and improve the absorption efficiency of visible light and carrier mobility, the effects of strain on the band structure, optical absorption coefficient, carrier mobility and photocatalytic properties of 6H-SiC were studied by using the first principle method. The results indicate that strain can reduce the conduction band minimum (CBM) of 6H-SiC, but has no effect on the valence band maximum (VBM), resulting in the reduction of band gap. With the increase of strain, the absorption curve moves to the low energy level (red shift), which is beneficial for the absorption of visible light. After the strain is applied, the carrier mobility of the hole is improved, which is conducive to the carrier movement, and the carrier mobility of the hole is 2.5 times that of the electron, which is conducive to the separation of the hole and the electron. According to the influence of strain on band gap and band edge position, the strains of ±2% and ±4% are the most effective conditions for visible light absorption and photocatalytic hydrogen generation. In conclusion, the strain can well regulate the optical absorption and photocatalytic properties of 6H-SiC. [ABSTRACT FROM AUTHOR]

The current state of affairs requires a highly sensitive, accurate, fast, and power-efficient biosensor. The proposed work investigates the performance of a Germanium-based dielectric-modulated junctionless charge plasma tunnel field-effect transistor (Ge-DMJ-CPTFET) as a label-free biosensor. The nanogap cavity is formed by removing gate oxide material from underneath the source electrode. The target biomolecules are modeled inside the nanogap cavity. The biomolecules are identified using their hereditary properties, such as charge density and dielectric constant. The Dielectric Modulation technique and Charge-Plasma concept have been used to investigate the biomolecules immobilized in the nanogap cavity. Germanium exhibits high carrier mobility and superior tunneling characteristics compared to silicon, allowing for improved charge transport across the device channels. The low energy-band gap of Ge helps to reduce tunneling width and increase drain current. The performance of the proposed device is investigated in terms of band energy, electric field, and electric potential at different values of dielectric constant and charge densities of the biomolecules. Moreover, the Sensitivity of the proposed device is investigated for both neutral and charged biomolecules. Along with a label-free biosensor, Ge-DMJ-CPTFET is free from random dopant variations, low thermal budget, and is compatibility with silicon technology. [ABSTRACT FROM AUTHOR]

In order to study the electron-ion dual response properties of n-type organic hybrid ion conductors and the effect of molecular weight on carrier mobility, high molecular weight poly(benzimidazobenzophenanthroline) with a planar rigid trapezoidal molecular chain structure was used to prepare high performance organic electrochemical transistors. The transistors were characterized by UV-visible absorption spectra and transistor device electrical properties. The results show that the n-type organic electrochemical transistors prepared by high molecular weight poly(benzimidazobenzophenanthroline) exhibit extremely high responsiveness (0.034 s), high carrier mobility (4.72 x 10-3 cm²/(V⋅s))and excellent stability(stable running over 120 pulse cycles) in aqueous electrolytes. [ABSTRACT FROM AUTHOR]

BiSbSe3 is a Te‐free thermoelectric material with intrinsically low thermal conductivity. Its thermoelectric performance is limited by poor electrical conductivity. To optimize electrical conductivity, Bi2SbSe3 with high carrier concentration and mobility is introduced to BiSbSe3 matrix through in situ reaction and conventional mechanical mixing. In both methods, carrier concentrations are improved by carrier injection and redistribution. Carrier mobility is manipulated based on microstructure. In the conventional method, isolated flake‐shaped Bi2SbSe3 grains with weak‐bonding phase boundaries restrict carrier mobility. For the in situ method, irregular Bi2SbSe3 connects into conductive networks inducing a percolation effect, and in situ formed small‐angle phase boundaries barely impede carriers. Thus, the carrier mobilities of in situ composites are significantly improved and higher than that of conventional composites. Simultaneously optimized carrier concentration and mobility remarkably enhance electrical conductivity over the whole working temperature. Maximum electrical conductivity of 378 S cm−1 is achieved in BiSbSe3‐38 vol% Bi2SbSe3 in situ composites at 300 K, obtaining more than 300% improvement compared with 124 S cm−1 in BiSbSe3 matrix. Lattice thermal conductivity is reduced at a low compositing fraction. Ultimately, a record‐breaking average ZT of 0.65 (300–750 K) is attained in BiSbSe3‐13 vol% Bi2SbSe3 in situ composite. The in situ compositing method in this work effectively optimizes electrical performance, anticipated to be applied in other thermoelectric materials. [ABSTRACT FROM AUTHOR]

The exploration initiated by the discovery of the topological insulator (BixSb1−x)2Te3 has extended to unlock the potential of quantum anomalous Hall effects (QAHEs), marking a revolutionary era for topological quantum devices, low-power electronics, and spintronic applications. In this study, we present the epitaxial growth of Cr-doped (Bi0.4Sb0.6)2Te3 (Cr:BST) thin films via molecular beam epitaxy, incorporating various Cr doping concentrations with varying Cr/Sb ratios (0.025, 0.05, 0.075, and 0.1). High-quality crystalline of the Cr:BST thin films deposited on a c-plane sapphire substrate has been rigorously confirmed through reflection high-energy electron diffraction (RHEED), X-ray diffraction (XRD), and high-resolution transmission electron microscopy (HRTEM) analyses. The existence of a Cr dopant has been identified with a reduction in the lattice parameter of BST from 30.53 ± 0.05 to 30.06 ± 0.04 Å confirmed by X-ray diffraction, and the valence state of Cr verified by X-ray photoemission (XPS) at binding energies of ~573.1 and ~583.5 eV. Additionally, the influence of Cr doping on lattice vibration was qualitatively examined by Raman spectroscopy, revealing a blue shift in peaks with increased Cr concentration. Surface characteristics, crucial for the functionality of topological insulators, were explored via Atomic Force Microscopy (AFM), illustrating a sevenfold reduction in surface roughness as the Cr concentration increased from 0 to 0.1. The ferromagnetic properties of Cr:BST were examined by a superconducting quantum interference device (SQUID) with a magnetic field applied in out-of-plane and in-plane directions. The Cr:BST samples exhibited a Curie temperature (Tc) above 50 K, accompanied by increased magnetization and coercivity with increasing Cr doping levels. The introduction of the Cr dopant induces a transition from n-type ((Bi0.4Sb0.6)2Te3) to p-type (Cr:(Bi0.4Sb0.6)2Te3) carriers, demonstrating a remarkable suppression of carrier density up to one order of magnitude, concurrently enhancing carrier mobility up to a factor of 5. This pivotal outcome is poised to significantly influence the development of QAHE studies and spintronic applications. [ABSTRACT FROM AUTHOR]

Nowadays, designing a two-dimensional (2D) van der Waals heterostructure (vdWH) is one of the most promising methods for improving photocatalytic performance and harvesting solar energy. Here, we proposed a novel CrSe 2 /GaN vdWH as an efficient photocatalyst for overall water splitting. The elastic constants, phonon dispersion, and ab-initio molecular dynamics simulation show high mechanical and thermodynamic stability. The HSE06 functional reveals that CrSe 2 /GaN vdWHs possess a direct bandgap. The DFT scheme suggests that the current vdWH belongs to the type-II band alignment and has enough kinetic redox potentials for overall photocatalytic water splitting. The intrinsic electric-field accelerates the photogenerated carrier separation. The carrier mobility of the CrSe 2 /GaN vdWH is observed to be enhanced as compared to the mobility of the CrSe 2 monolayer. Additionally, the optical absorption of the vdWH is found to be high in the visible and ultraviolet regions. The CrSe 2 /GaN vdWH has a high efficiency of solar-to-hydrogen energy conversion (33.41%). The Gibbs free energy shows that the redox reactions (HER & OER) could be sustained under the action of an external electric-field. Finally, the external strain can tune the band edge and optical absorption of the CrSe 2 /GaN vdWH for desired applications. Therefore, the CrSe 2 /GaN vdW heterostructure could be an excellent photocatalyst for water splitting with high solar energy conversion. [Display omitted] • The CrSe 2 /GaN vdW heterostructures possess direct bandgaps. • Exhibited excellent optical absorption capability in the visible and UV regions. • The CrSe 2 /GaN vdW heterostructure shows overall water splitting ability. • Shows a high efficiency of solar-to-hydrogen energy conversion (33.41%). • Gibbs free-energy depicts HER & OER sustained under electric-field (E ext). [ABSTRACT FROM AUTHOR]

Herein, the electronic, magnetic, and optical properties of direct‐band semiconducting SiP monolayers (MLs) doped with 3d transition‐metal (TM) atoms are investigated using first‐principles calculations. The results indicate that TM (TM = Sc, Ti, Co, Ni, Cu, and Zn)‐doped SiP MLs are nonmagnetic, while TM (TM = V, Cr, Mn, Fe)‐doped ones exhibit prominent magnetic moments. Specifically, V‐, Cr‐, and Fe‐doped SiP MLs are magnetic semiconductors and Mn‐doped SiP ML is a spin gapless semiconductor, where the contributions of the TM atoms to magnetic moments are dominant and the contributions of the nearest Si and P atoms are either small or negligible. Furthermore, the TM (TM = V, Cr, Mn, Fe) doping can enhance the carrier mobility in certain directions and result in highly in‐plane anisotropic mobility behaviors. In addition, the TM (TM = V, Cr, Mn, Fe) doping can not only broaden the optical absorption range of SiP ML to the infrared region, but also enhance the optical absorption coefficients of SiP ML in the visible region. These results provide insights into the TM doping effect on the electronic, spintronic, and optical properties of SiP MLs and may be useful for related applications based on SiP MLs. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) materials have unique properties, such as large specific surface area, short carrier migration path, excellent light absorption efficiency, etc., which make them more advantageous than three-dimensional (3D) materials in the field of photocatalysts for water splitting. However, finding 2D materials with suitable band edge location, high carrier mobility and water adsorption capacity, simultaneously, which affect the activity of photocatalyst, is not easy. In this work, based on hybrid density functional calculation, the geometric structure, electronic and optical properties of boron phosphide (BP) are investigated. It shows that monolayer BP is a direct bandgap semiconductor with its bandgap 1.35 eV. Remarkably, this 2D material possesses extremely high electron mobility ~ 8.46 × 104 cm2V−1 s−1 and large difference in hole/electron mobilities, which can effectively hinder the recombination of electrons and holes. The band edge position of monolayer BP is favorable during water splitting in the pH range of 3–4. However, under the modulation of tensile strains + 6%, the bandgap of monolayer BP increases greatly, the photocatalytic pH range could almost cover the whole acid environment from 1 to 6. Optical obsorption spectrum also indicate its vital optical absorption capacity in UV–visible region. Meanwhile, monolayer BP has excellent abilities of adsorption of H2O molecules. These study suggest that 2D BP is a remarkably promising material to be utilized in photocatalyst for water splitting. [ABSTRACT FROM AUTHOR]

Recently, the application of two–dimensional (2D) piezoelectric materials has been seriously hindered because most of them possess only in–plane piezoelectricity but lack out–of–plane piezoelectricity. In this work, using first–principles calculation, by atomic substitution of penta–graphene (PG) with tiny out–of–plane piezoelectricity, we design and predict stable 2D X–PG (X = Si or Ge) semiconductors with excellent in–plane and out–of–plane piezoelectricity and extremely high in–plane hole mobility. Among them, Ge–PG exhibits better performance in all aspects with an in–plane strain piezoelectric coefficient d11 = 8.43 pm/V, an out–of–plane strain piezoelectric coefficient d33 = −3.63 pm/V, and in–plane hole mobility μh = 57.33 × 103 cm2 V−1 s−1. By doping Si and Ge atoms, the negative Poisson’s ratio of PG approaches zero and reaches a positive value, which is due to the gradual weakening of the structure’s mechanical strength. The bandgaps of Si–PG (0.78 eV) and Ge–PG (0.89 eV) are much smaller than that of PG (2.20 eV), by 2.82 and 2.47 times, respectively. This indicates that the substitution of X atoms can regulate the bandgap of PG. Importantly, the physical mechanism of the out–of–plane piezoelectricity of these monolayers is revealed. The super–dipole–moment effect proposed in the previous work is proved to exist in PG and X–PG, i.e., it is proved that their out–of–plane piezoelectric stress coefficient e33 increases with the super–dipole–moment. The e33–induced polarization direction is also consistent with the super–dipole–moment direction. X–PG is predicted to have prominent potential for nanodevices applied as electromechanical coupling systems: wearable, ultra–thin devices; high–speed electronic transmission devices; and so on.

The quantitative description of electrical and magnetotransport properties of solid-state materials has been a remarkable challenge in materials science over recent decades. Recently, the discovery of a novel class of materials—the topological semimetals—has led to a growing interest in the full understanding of their magnetotransport properties. In this review, the strong interplay among topology, band structure, and carrier mobility in recently discovered high carrier mobility topological semimetals is discussed and their effect on their magnetotransport properties is outlined. Their large magnetoresistance effect, especially in the Hall transverse configuration, and a new version of a three-dimensional quantum Hall effect observed in high-mobility Weyl and Dirac semimetals are reviewed. The possibility of designing novel quantum sensors and devices based on solid-state semimetals is also examined. [ABSTRACT FROM AUTHOR]

Field‐effect transistors (FETs) made of monolayer 2D semiconductors (e.g., MoS2) are among the basis of the future modern wafer chip industry. However, unusually high contact resistances at the metal‐semiconductor interfaces have seriously limited the improvement of monolayer 2D semiconductor FETs so far. Here, a high‐scale processable strategy is reported to achieve ohmic contact between the metal and monolayer MoS2 with a large number of sulfur vacancies (SVs) by using simple sulfur‐vacancy engineering. Due to the successful doping of the contact regions by introducing SVs, the contact resistance of monolayer MoS2 FET is as low as 1.7 kΩ·µm. This low contact resistance enables high‐performance MoS2 FETs with ultrahigh carrier mobility of 153 cm2 V−1 s−1, a large on/off ratio of 4 × 109, and high saturation current of 342 µA µm−1. With the comprehensive investigation of different SV concentrations by adjusting the plasma duration, it is also demonstrated that the SV‐increased electron doping, with its resulting reduced Schottky barrier, is the dominant factor driving enhanced electrical performance. The work provides a simple method to promote the development of industrialized atomically thin integrated circuits. [ABSTRACT FROM AUTHOR]

Balancing the contradictory relationship between thermoelectric parameters, such as effective mass and carrier mobility, is a challenge to optimize thermoelectric performance. Herein, the exceptional thermoelectric performance is realized in GeTe through collaboratively optimizing the carrier and phonon transport via stepwise alloying Pb and CuSbSe2. The formation energy of Ge vacancy is efficiently bolstered by alloying Pb, which reduces carrier density and carrier scattering to maintain superior carrier mobility in GeTe. Additionally, CuSbSe2, acting as an n‐type dopant, further modulates carrier density and validly equilibrates carrier mobility and effective mass. Accordingly, the promising power factor of 45 µW cm−1 K−2 is achieved at 723 K. Meanwhile, point defects are found to significantly suppress phonons transport to descend lattice thermal conductivity by Pb and CuSbSe2 alloying, which barely impacts the carrier mobility. A combination with superior carrier mobility and lower lattice thermal conductivity, a maximum ZT of 2.2 is attained in Ge0.925Pb0.075Cu0.005Sb0.005TeSe0.01, which corresponds to a 100% promotion compared with that of intrinsic GeTe. This study provides a new indicator for optimizing carrier and phonon transport properties by balancing interrelated thermoelectric parameters. [ABSTRACT FROM AUTHOR]

Double-layered high-κ gate dielectric (high-κ NdHfO on low-κ SiO2) and p-Si gate electrodes with different doping concentrations are employed in the fabrication of InGaZnO thin-film transistors (IGZO TFTs) to investigate the effects of the low-κ SiO2 interlayer on the remote phonon scattering (RPS) of the high-κ gate dielectric and thus the carrier mobility in the IGZO channel. Compared with previous research on IGZO TFTs with single-layered NdHfO gate dielectric, the experimental results show that with the insertion of a SiO2 film between the NdHfO layer and the p-Si gate electrode, the carrier mobility performance presents obvious differences: (1) the mobility increment with increasing gate doping concentration falls around 56% due to the reduced gate screening effect on the RPS caused by the increased separation and thus weakened electrical coupling between the gate electrode and the high-κ NdHfO layer; (2) the disappearance of the large mobility reduction for the sample with gate doping concentration of 1.0 × 1018–1.9 × 1018/cm3 produced by the resonance between the gate electrode and the high-κ NdHfO layer (thus enhanced RPS) due to their weakened electrical coupling; and surprisingly, (3) the emergence of large mobility reductions for the two samples with gate doping concentrations of 2.8 × 1018–3.1 × 1018/cm3 and 2.7 × 1018–7.9 × 1018/cm3 caused by the resonance between the relatively rigid low-κ SiO2 interlayer and the adjacent gate electrode (thus enhanced RPS). In summary, this work demonstrates that the low-κ layer in a double-layered high-κ gate dielectric can also have significant effects on the RPS and thus carrier mobility in metal-oxide-semiconductor (MOS) devices. [ABSTRACT FROM AUTHOR]

Balancing the contradictory relationship between thermoelectric parameters, such as effective mass and carrier mobility, is a challenge to optimize thermoelectric performance. Herein, the exceptional thermoelectric performance is realized in GeTe through collaboratively optimizing the carrier and phonon transport via stepwise alloying Pb and CuSbSe2. The formation energy of Ge vacancy is efficiently bolstered by alloying Pb, which reduces carrier density and carrier scattering to maintain superior carrier mobility in GeTe. Additionally, CuSbSe2, acting as an n‐type dopant, further modulates carrier density and validly equilibrates carrier mobility and effective mass. Accordingly, the promising power factor of 45 µW cm−1 K−2 is achieved at 723 K. Meanwhile, point defects are found to significantly suppress phonons transport to descend lattice thermal conductivity by Pb and CuSbSe2 alloying, which barely impacts the carrier mobility. A combination with superior carrier mobility and lower lattice thermal conductivity, a maximum ZT of 2.2 is attained in Ge0.925Pb0.075Cu0.005Sb0.005TeSe0.01, which corresponds to a 100% promotion compared with that of intrinsic GeTe. This study provides a new indicator for optimizing carrier and phonon transport properties by balancing interrelated thermoelectric parameters. [ABSTRACT FROM AUTHOR]

Molybdenum ditelluride (MoTe2) exhibits immense potential in post-silicon electronics due to its bandgap comparable to silicon. Unlike other 2D materials, MoTe allows easy phase modulation and efficient carrier type control in electrical transport. However, its unstable nature and low-carrier mobility limit practical implementation in devices. Here, a deterministic method is proposed to improve the performance of MoTe2 devices by inducing local tensile strain through substrate engineering and encapsulation processes. The approach involves creating hole arrays in the substrate and using atomic layer deposition grown Al2O3 as an additional back-gate dielectric layer on SiO2. The MoTe channel is passivated with a thick layer of Al2O3 post-fabrication. This structure significantly improves hole and electron mobilities in MoTe field-effect transistors (FETs), approaching theoretical limits. Hole mobility up to 130 cm-2 V-1 s-1 and electron mobility up to 160 cm-2 V-1 s-1 are achieved. Introducing local tensile strain through the hole array enhances electron mobility by up to 6 times compared to the unstrained devices. Remarkably, the devices exhibit metal-insulator transition in MoTe FETs, with a well-defined critical point. This study presents a novel technique to enhance carrier mobility in MoTe2 FETs, offering promising prospects for improving 2D material performance in electronic applications. [ABSTRACT FROM AUTHOR]

2D perovskites stabilized by alternating cations in the interlayer space (ACI) GA(MA)3Pb3I10 perovskite have achieved a power conversion efficiency (PCE) of exceeding 18%. However, the potential leakage of broken cells with the usage of lead is still an environment problem. Thus, developing recycling end‐of‐life products via cost‐effective and environmentally friendly strategies is the current mainstream trend for perovskite solar cells. In this study, potential lead‐free alternatives to ACI 2D GA(MA)3M3I10 perovskites with high optoelectronic and photovoltaic performance by replacing lead with metals such as Cd, Cu, Ge, Ni, Sn, Zn, Ca, Si, Fe, Mg, Sr, Ba, and Pd using first‐principles calculations are explored. The findings reveal that Cu, Zn, and Mg can finely tune the bandgap of GA(MA)3M3I10 within the optimum range (0.9–2.3 eV) required for photovoltaic applications. GA(MA)3Cu3I10 exhibits the strongest carrier transport ability, with the highest carrier mobility of 479.7 cm2 V−1 s−1. GA(MA)3Mg3I10 demonstrates the highest PCE of 23.6%, positioning itself as a promising photoabsorber candidate for photovoltaic applications. Findings not only contribute to the design of environmentally friendly, high‐efficiency ACI 2D perovskites, but also unveil a mechanism that is not experimentally detected. [ABSTRACT FROM AUTHOR]

The well-developed particle-swarm optimization method together with density functional theory calculations were employed to search lowest-energy geometric structures of two-dimensional (2D) SiGeP2. Two newly found structures (P3m1 and Pmm2) are predicted. The unbiased global search reveals that the two lowest-energy structures are honeycomb lattices with robust dynamical stabilities. A more accurate Heyd-Scuseria-Ernzerhof (HSE06) hybrid functional is used to estimate the band structures of SiGeP2, which indicates that both the structures are semiconductors with indirect band-gap energies 1.80 eV for P3m1 and 1.93 eV for Pmm2, respectively. Using the deformation potential theory, the P3m1-SiGeP2 is predicted to have high electron mobilities (6.4×104 along zigzag direction and 2.9×103 cm2·V−1·s−1 along armchair direction, respectively) and hole electron mobilities (1.0×103 along zigzag direction and 2.5×103 cm2·V−1·s−1 along armchair direction, respectively), which can be comparable with that of phosphorene and show anisotropic character in-plane. In addition, to estimate the elastic limit of SiGeP2, we also calculated the surface tension of SiGeP2 as a function of tensile strain. Our results show that the 2D SiGeP2 may be good candidaticates for applications in nanoelectronic devices. [ABSTRACT FROM AUTHOR]

Adsorption of gas molecules on the surface of two-dimensional (2D) molybdenum disulfide (MoS2) can significantly affect its carrier transport properties. In this letter, we investigated the effect of a vacuum environment on the electrical properties of a back-gate MoS2 FET. Benefiting from the reduced scattering centers caused by the adsorbed oxygen and water molecules in a vacuum, the current Ion/Ioff ratio of back-gate MoS2 field effect transistor increased from 1.4 × 106 to 1.8 × 107. In addition, the values of field effect carrier mobility were increased by more than four times, from 1 cm2/Vs to 4.2 cm2/Vs. Furthermore, the values of subthreshold swing could be decreased by 30% compared with the sample in ambient air. We demonstrate that the vacuum process can effectively remove absorbates and improve device performances. [ABSTRACT FROM AUTHOR]

AgBi3S5 is a new n-type thermoelectric material that is environmentally friendly and composed of elements of earth-abundant, non-toxic and high performance-cost ratio. This compound features an intrinsically low thermal conductivity derived from its complex monoclinic structure. However, the terrible electrical transport properties greatly limited the improvement of thermoelectric performance. Most previous studies considered that carrier concentration is the main reason for low electrical conductivity and focused on improving carrier concentration by aliovalent ion doping. In this work, we found that the critical parameter that restricts the electric transport performance of AgBi3S5 was the extremely low carrier mobility instead of the carrier concentration. According to the Pisarenko relationships and density functional theory calculations, Nb doping can sharpen the conduction band of AgBi3S5, which contributes to reducing the effective mass and improving the carrier mobility. With a further increase of the Nb doping content, the conduction band convergence can enlarge the effective mass and preserve the carrier mobility. Combined with the decrease in lattice thermal conductivity due to the intensive phone scattering, a maximum ZT value of ∼0.50 at 773 K was achieved in Ag0.97Nb0.03Bi3S5, which was ∼109.6% higher than that of pure AgBi3S5. This work will stimulate the new exploration of high-performance thermoelectric materials in ternary metal sulfides.

Double perovskite materials have gradually become widely studied due to their potential applications in solar cells and other optoelectronic devices. We take Cs2NaFeCl6 as an example to investigate the carrier mobility with respect to the acoustic phonon and the optical phonon scattering mechanisms. By considering the deformation potential, carrier effective mass, and bulk modulus, the longitudinal acoustic (LA) phonon-determined mobilities for electrons and holes in Cs2NaFeCl6 are found to be μe = 2886.08 cm2 v−1 s−1 and μh = 39.09 cm2 v−1 s−1, respectively. The optical scattering mechanism involves calculating the Fröhlich coupling constant, dielectric constant, and polaron mass to determine the multiple polar optical (PO) phonon-scattering-determined mobilities, resulting in μe = 279.25 cm2 v−1 s−1 and μh = 21.29 cm2 v−1 s−1, respectively. By combining both interactions, the total electron mobility and hole mobility are determined to be 254.61 cm2 v−1 s−1 and 13.78 cm2 v−1 s−1, respectively. The findings suggest that the polarization of both electrons and ions, small coupling constant, and bulk modulus in Cs2NaFeCl6’s lattice make PO scattering a significant contribution to carrier mobility in this specific double perovskite, highlighting the importance of considering this in enhancing the optoelectronic properties of Cs2NaFeCl6 and other double perovskites.

Two-dimensional semiconductors simultaneously having suitable electronic properties and high carrier motilities are highly required in next-generation photoelectronic devices. Herein, we propose a new single-layer semiconductor, CdIn2S4, and investigate its photoelectronic properties utilizing first-principles calculations. Interestingly, we find that single-layer CdIn2S4 holds a quasi-direct moderate bandgap of 1.73 eV. Its valence band maximum and conduction band minimum are located at different atomic regions, which hinders the recombination of generated electrons and holes. Hence, single-layer CdIn2S4 has a suitable electronic structure for optoelectronics. The suitable electronic property also exists under the biaxial strains of −4%, −2%, 2 %, and 4 %, while the electron mobility ranges from ∼3000 to ∼11,000 cm2·V−1·s−1, revealing its potential application in high-speed electronics. In addition, its strong visible absorption and much-reduced exciton binding energy render abundant photogenerated electrons and holes. Summarily, the suitable electronic property, ultrahigh carrier mobility, and abundant visible absorption demonstrate that single-layer CdIn2S4 is a hopeful candidate for high-speed optoelectronics.

Using first-principle calculations, we investigate the impact of strain on the electronic structures and effective masses of Janus WSTe and MoSTe monolayers. The calculations were performed using the QUANTUM-ESPRESSO package, employing the PBE and HSE06 functionals. Our results demonstrate that strain fundamentally changes the electronic structures of the Janus WSTe and MoSTe monolayers. We observe that deformation causes a shift in the maxima and minima of the valence and conduction bands, respectively. We find that the effective electrons and hole masses of MoSTe and WSTe can be changed by deformation. In addition, the strain's effect on carrier mobility is also investigated in this work via the deformation potential theory. [ABSTRACT FROM AUTHOR]