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In this study, Non-Equilibrium Molecular Dynamics (NEMD) simulation is employed to investigate the phonon thermal conductivity (PTC) of Sn/hBN van der Waals heterostructures with different vacancy-induced defects. We deliberately introduce three types of vacancies in Sn/hBN bilayer point vacancies, bivacancies, and edge vacancies at various concentrations ranging from 0.25% to 2%, to examine their effects on PTC across temperatures from 100 K to 600 K. The key findings of our work are (i) PTC declines monotonically with increasing vacancy concentration for all types of vacancies, with a maximum reduction of ∼62% observed at room temperature compared to its pristine form. (ii) The position of defects has an impact on PTC, with a larger decrease observed when defects are present in the hBN layer and a smaller decrease when defects are in the Sn layer. (iii) The type of vacancy also influences PTC, with point vacancies causing the most substantial reduction, followed by bivacancies, and edge vacancies having the least effect. A 2% defect concentration results in a ∼62% decrease in PTC for point vacancies, ∼51% for bivacancies, and ∼32% for edge vacancies. (iv) Finally, our results indicate that for a given defect concentration, PTC decreases as temperature increases. The impact of temperature on thermal conductivity is less pronounced compared to the effect of vacancies for the defective Sn/hBN bilayer. The presence of vacancies and elevated temperatures enhance phonon-defect and phonon–phonon scattering, leading to changes in the phonon density of states (PDOS) profile and the distribution of phonons across different frequencies of Sn/hBN bilayer, thus affecting its thermal conductivity. This work offers new insights into the thermal behavior of vacancy-filled Sn/hBN heterostructures, suggesting potential pathways for modulating thermal conductivity in bilayer van der Waals heterostructures for applications in thermoelectric, optoelectronics, and nanoelectronics in future. [ABSTRACT FROM AUTHOR]

Over the last years metal halide perovskites have demonstrated remarkable potential for integration in light emitting devices. Heterostructures allow for tunable bandgap depending on the local anion composition, crucial for optoelectronic devices, but local structural effects of anion exchange in single crystals is not fully understood. Here, we investigate how the anion exchange of CsPbBr3 nanowires fully and locally exposed to HCl vapor affects the local crystal structure, using nanofocused x-rays. We study the nanoscale composition and crystal structure as function of HCl exposure time and demonstrate the correlation of anion exchange with changes in the lattice parameter. The local composition was measured by x-ray fluorescence and x-ray diffraction, with general agreement of both methods but with much less variation using latter. The heterostructured nanowires exhibit unintentional gradients in composition, both axially and radially. Ferroelastic domains are observed for all HCl exposure times, and the magnitude of the lattice tilt at the domain walls scales with the Cl concentration. [ABSTRACT FROM AUTHOR]

The need for photosensors and gas sensors arises from their pivotal roles in various technological applications, ensuring enhanced efficiency, safety, and functionality in diverse fields. In this paper, interlinked PbS/Sb2O5 thin film has been synthesized by a magnetron sputtering method. We control the temperature to form the nanocomposite by using their different nucleation temperature during the sulfonation process. A nanostructured PbS/Sb2O5 with cross-linked morphology was synthesized by using this fast and efficient method. This method has also been used to grow a uniform thin film of nanocomposite. The photo-sensing and gas-sensing properties related to the PbS/Sb2O5 compared with those of other nanomaterials have also been investigated. The experimental and theoretical calculations reveal that the PbS/Sb2O5 exhibits extraordinarily superior photo-sensing and gas-sensing properties in terms of providing a pathway for electron transport to the electrode. The attractive highly sensitive photo and gas sensing properties of PbS/Sb2O5 make them applicable for many different kinds of applications. The responsivity and detectivity of PbS/Sb2O5 are 0.28 S/mWcm−2 and 1.68 × 1011 Jones respectively. The sensor response towards NO2 gas was found to be 0.98 at 10 ppb with an limit of detection (LOD) of 0.083 ppb. The PbS/Sb2O5 exhibits high selectivity towards the NO2 gas. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to analyze the geometries, electronic structure, and electronic absorption spectra of a light sensor fabricated by PbS/Sb2O5. The results are very analogous to the experimental results. Both photosensors and gas sensors are indispensable tools that contribute significantly to the evolution of technology and the improvement of various aspects of modern life. [ABSTRACT FROM AUTHOR]

Lithium–sulfur (Li–S) batteries have been garnered significant attention in the energy storage field due to their high theoretical specific capacity and low cost. However, Li–S batteries suffer from issues like the shuttle effect, poor conductivity, and sluggish chemical reaction kinetics, which hinder their practical development. Herein, a novel hollow flower-like architecture composed of MoS2/Mo2C heterostructures in N-doped carbon substrate (H-Mo2S/Mo2C/NC NFs), which were well designed and prepared through a calcination-vulcanization method, were used as high-efficiency catalyst to propel polysulfide redox kinetics. Ex situ electrochemical impedance spectroscopy verify that the abundant heterojunctions could facilitate electron and ion transfer, revealed the excellent interface solid–liquid–solid conversion reaction. The adsorption test of Li2S6 showed that Mo2S and Mo2C formed heterostructure generate the binding of polysulfide could be enhanced. And cyclic voltammetry test indicate boost the polysulfide redox reaction kinetics and ion transfer of H-Mo2S/Mo2C/NC/S NFs cathode. Benefiting from the state-of-the-art design, the H-Mo2S/Mo2C/NC/S NFs cathode demonstrates remarkable rate performance with a specific capacity of 1351.9 mAh g−1 at 0.2 C, when the current density was elevated to 2 C and subsequently reverted to 0.2 C, the H-Mo2S/Mo2C/NC/S NFs cathode retained a capacity of 1150.4 mAh g−1, and it maintains exceptional long cycling stability (840 mA h g−1 at 2 C after 500 cycles) a low capacity decay of 0.0073% per cycle. This work presents an effective approach to rapidly fabricating multifunctional heterostructures as an effective sulfur host in improving the polysulfide redox kinetics for lithium sulfur batteries. [ABSTRACT FROM AUTHOR]

Van der Waals heterostructures provide a new opportunity for constructing new structures and improving the performance of electronic and optoelectronic devices. However, the existing methods of constructing heterojunctions are still faced with problems such as impurity introduction, or complex preparation process and limited scope of application. Herein, a physisorption method is proposed to composite CuO nanorods on the surface of MoS2 nanosheets. CuO nanorods and MoS2 form type-Ⅱ heterojunctions, which promotes the separation and transport of photo-generated charge carriers. More importantly, compared with the transfer and coating methods, the physical adsorption method avoids the introduction of auxiliary materials during the whole process of constructing the heterojunction, and therefore effectively reduces the damage and pollution at the interface. The optimized MoS2/CuO heterojunction photodetector achieves a high photoresponsivity of ∼680.1 A W−1 and a fast response speed of ∼29 μ s. The results demonstrate that the physisorption method provides a feasible approach to realize high performance photodetectors with pollution-free interfaces, and it can also be extended to the development of other low-dimensional hybrid heterojunction electronic and optoelectronic devices. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) materials have attracted more and more attention due to their excellent properties. In this work, we systematically explore the heat transport properties of Graphene-C3B (GRA-C3B) superlattices and van der Waals (vdW) heterostructures using molecular dynamics method. The effects of interface types and heat flow directions on the in-plane interfacial thermal resistance (ITRip) are analyzed. Obvious thermal rectification is detected in the more energy stable interface, GRA zigzag-C3B zigzag (ZZ) interface, which also has the minimum value of ITRip. The dependence of the superlattices thermal conductivity (k) of the ZZ interface on the period length (l p ) is investigated. The results show that when the l p is 3.5 nm, the k reaches a minimum value of 35.52 W m−1 K−1, indicating a transition stage from coherent phonon transport to incoherent phonon transport. Afterwards, the effects of system size, temperature, coupling strength and vacancy defect on the out-of-plane interfacial thermal resistance (ITRop) are evaluated. With the increase of temperature, coupling strength and vacancy defect, ITRop are found to reduce effectively due to the enhanced Umklapp phonon scattering and increased probability of energy transfer. Phonon density of states and phonon participation ratio is evaluated to reveal phonon behavior during heat transport. This work is expected to provide essential guidance for the thermal management of nanoelectronics based on 2D monolayer GRA and C3B. [ABSTRACT FROM AUTHOR]

Nitrogen-doped carbon dots (NCDs), exhibiting strong yellow emission in aqueous solution and solid matrices, have been utilized for fabricating heterostructure white electroluminescence devices. These devices consist of nitrogen-doped carbon dots as an emissive layer sandwiched between an organic hole transport layer (PEDOT:PSS) and an array of rutile TiO2 nanorods, acting as an electron transport layer. Under an applied forward bias of 5 V, the device exhibits broadband electroluminescence covering the wavelength range of 390–900 nm, resulting in pure white light emission characteristics at room temperature. The result demonstrates the successful fabrication of all solution-processed, low-cost, eco-friendly NCDs-based LEDs with CIE (Commission Internationale d'Éclairage) coordinate of (0.31, 0.34) and color rendering index (CRI) > 90, which are close to ideal white light emission characteristics. The device functionalities are achieved based on defect-related NIR emission from TiO2 nanorods array and visible emission from nitrogen-doped carbon dots. This result paves a new opportunity to develop low-cost, solution-processed nitrogen-doped carbon dots based on warm White light emitting diodes with high CRI for large-area display and lighting applications. [ABSTRACT FROM AUTHOR]

In order to elucidate the mechanisms responsible for cathodoluminescence intensity variations at the scale of single InGaN/GaN nanowire heterostructures, a methodology is proposed based on a statistical analysis on ensembles of several hundreds of nanowires exhibiting a diameter of 180, 240 and 280 nm. For 180 nm diameter, we find that intensitiy variations are consistent with incorporation of point defects obeying Poisson's statistics. For wider diameters, intensity variations at the scale of single NWs are observed and assigned to local growth conditions fluctuations. Finally, for the less luminescent nanowires, a departure from Poisson's statistics is observed suggesting the possible clustering of non independent point defects. [ABSTRACT FROM AUTHOR]

Electrochemical activation is an effective method for synthesizing economically feasible heterogeneous hydrogen evolution reaction (HER) electrocatalysts. Herein, we first synthesized MoO2-Co2Mo3O8 precatalyst, which was electrochemically activated to produce K2Mo3O10 within the original phase to form the heterogeneous structure. The electrochemically activated samples demonstrate exceptional HER activity in alkaline medium, which exhibit a low overpotential of 31 mV at current density of 10 mA cm−2 (135 mV at 100 mA cm−2), as well as a small Tafel slope of 34 mV dec−1. This is due to the creation of multiphase heterostructures that prompt interfacial interactions and accelerate charge transfer. Simultaneously, the creation of additional active sites increases their intrinsic activities. The combined effects collectively enhance the HER performance. The application of this method in the preparation of HER catalysts is still relatively unexplored, thus rendering our work a pioneering contribution to the field. [ABSTRACT FROM AUTHOR]

In addition to the superior electrical and optoelectronic attributes, ultrathin two-dimensional transition metal dichalcogenides (TMDCs) have evoked appreciable attention for their piezoelectric properties. In this study, we report, the piezoelectric characteristics of large area, chemically exfoliated TMDCs and their heterostructures for the first time, as verified by piezoelectric force microscopy measurements. Piezoelectric output voltage response of the MoS2-WSe2 heterostructure piezoelectric nanogenerator (PENG) is enhanced by ∼47.5% if compared with WSe2 and ∼29% if compared to MoS2 PENG, attributed to large band offset induced by heterojunction formation. This allows the scalable fabrication of self-powered energy harvesting PENGs, which can overcome the various shortcomings of complicated synthesis processes, complex fabrication steps, low yield, and poor stability. The fabricated flexible, self-powered MoS2-WSe2 heterostructure nanogenerator exhibits piezoelectric output ∼46 mV under a strain of ∼0.66% yielding a power output ∼12.3 nW, which offers better performance than other two-dimensional material based piezoelectric devices and also reveals the ability of bio-mechanical energy harvesting. This cost effective approach to fabricate eco-friendly MoS2-WSe2 based fatigue free, superior performance piezoelectric-nanogenerators can be utilized to evolve flexible energy harvesting devices and may also be attractive as a self-powered, smart wearable sensor devices. [ABSTRACT FROM AUTHOR]

Highly efficient water electrolytic agents are restricted by the lack of cheap and Earth-abundant catalysts that can manipulate at unharsh conditions and be prepared with a simple procedure. Here, hierarchically vertical and porous MoS2-CoS2 heterojunction nanosheet arrays are designed and fabricated. The MoS2-CoS2 nanosheets are composed of ultrasmall nanocrytallites with the dimension of ∼62 nm. This special and novel architecture presents synergistic properties to create excellent oxygen evolution reaction (OER) and hydrogen evolution reaction (HER), where high density active sites generated by ultrasmall nanocrytallites with heterostructures, and the vertical and porous structure accelerates electrolyte transport with luxuriant channels while this hierarchically collaborative framework guarantees completely exposed active sites to electrolytes. This electrode shows low overpotentials of 295 and 103 mV at 10 mA cm−2, small Tafel slopes of 70 and 78 mV dec−1, and long stability for OER and HER, respectively. This work indicates that vertical and porous heterojunction nanosheet arrays with hierarchically ultrasmall secondary nanostructures are a promising catalyst for widespread application. [ABSTRACT FROM AUTHOR]

Van der Waals materials and their interfaces play critical roles in defining electrical contacts for nanoelectronics and developing vehicles for mechanoelectrical energy conversion. In this work, we propose a vertical strain engineering approach by enforcing pressure across the heterostructures. First-principles calculations show that the in-plane band structures of 2D materials such as graphene, h-BN, and MoS2 as well as the electronic coupling at their contacts can be significantly modified. For the graphene/h-BN contact, a band gap in graphene is opened, while at the graphene/MoS2 interface, the band gap of MoS2 and the Schottky barrier height at contact diminish. Changes and transitions in the nature of contacts are attributed to localized orbital coupling and analyzed through the redistribution of charge densities, the crystal orbital Hamilton population, and electron localization, which yield consistent measures. These findings offer key insights into the understanding of interfacial interaction between 2D materials as well as the efficiency of electronic transport and energy conversion processes. [ABSTRACT FROM AUTHOR]

The fabrication and characterization of steep slope transistor devices based on low-dimensional materials requires precise electrostatic doping profiles with steep spatial gradients in order to maintain maximum control over the channel. In this proof-of-concept study we present a versatile graphene heterostructure platform with three buried individually addressable gate electrodes. The platform is based on a vertical stack of embedded titanium and graphene separated by an intermediate oxide to provide an almost planar surface. We demonstrate the functionality and advantages of the platform by exploring transfer and output characteristics at different temperatures of carbon nanotube field-effect transistors with different electrostatic doping configurations. Furthermore, we back up the concept with finite element simulations to investigate the surface potential. The presented heterostructure is an ideal platform for analysis of electrostatic doping of low-dimensional materials for novel low-power transistor devices. [ABSTRACT FROM AUTHOR]

Kinetic modeling of the formation of axial III–V nanowire heterostructures grown by the Au-catalyzed vapor–liquid–solid method is presented. The method is based on a combination of kinetic growth theory for different binaries at the liquid–solid interface and thermodynamics of ternary liquid and solid alloys. Non-stationary treatment of the compositional change obtained by swapping material fluxes allows us to compute the interfacial abruptness across nanowire heterostructures and leads to the following results. At high enough supersaturation in liquid, there is no segregation of dissimilar binaries in solid even for materials with strong interactions between III and V pairs, such as InGaAs. This leads to the suppression of the miscibility gaps by kinetic factors. Increasing the Au concentration widens the heterointerface at low Au content and narrows it at high Au content in a catalyst droplet. The model fits quite well the data on the compositional profiles across nanowire heterostructures based on both group III and group V interchange. Very sharp heterointerfaces in double of InAs/InP/InAs nanowire heterostructures is explained by a reduced reservoir effect due to low solubility of group V elements in liquid. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) ferroelectric materials are providing promising platforms for creating future nano- and opto-electronics. Here we propose new hybrid van der Waals heterostructures, in which the 2D ferroelectric material CuInP2S6 (CIPS) is layered on a 2D semiconductor for near-infrared (NIR) memory device applications. Using density functional theory, we show that the band gap of the hybrid bilayers formed with CIPS can be tuned and that the optical and electronic properties can be successfully modulated via ferroelectric switching. Of the 3712 heterostructures considered, we identified 19 structures that have a type II band alignment and commensurate lattice matches. Of this set, both the CuInP2S6/PbSe and CuInP2S6/Ge2H2 heterostructures possess absorption peaks in the NIR region that change position and intensity with switching polarisation, making them suitable for NIR memory devices. The CuInP2S6/ISSb, CuInP2S6/ISbSe, CuInP2S6/ClSbSe and CuInP2S6/ZnI2 heterostructures had band gaps which can be switched from direct to indirect with changing the polarisation of CIPS making them suitable for optoelectronics and sensors. The heterostructures formed with CIPS are exciting candidates for stable ferroelectric devices, opening a pathway for tuning the band alignment of van der Waal heterostructures and the creation of modern memory applications that use less energy. [ABSTRACT FROM AUTHOR]

The combination of two-dimensional materials (2D) into heterostructures enables their integration in tunable ultrathin devices. For applications in electronics and optoelectronics, direct growth of wafer-scale and vertically stacked graphene/hexagonal boron nitride (h-BN) heterostructures is vital. The fundamental problem, however, is the catalytically inert nature of h-BN substrates, which typically provide a low rate of carbon precursor breakdown and consequently a poor rate of graphene synthesis. Furthermore, out-of-plane deformations such as wrinkles are commonly seen in 2D materials grown by chemical vapor deposition (CVD). Herein, a wrinkle-facilitated route is developed for the fast growth of graphene/h-BN vertical heterostructures on Cu foils. The key advantage of this synthetic pathway is the exploitation of the increased reactivity from inevitable line defects arising from the CVD process, which can act as active sites for graphene nucleation. The resulted heterostructures are found to exhibit superlubric properties with increased bending stiffness, as well as directional electronic properties, as revealed from atomic force microscopy measurements. This work offers a brand-new route for the fast growth of Gr/h-BN heterostructures with practical scalability, thus propelling applications in electronics and nanomechanical systems. [ABSTRACT FROM AUTHOR]

One-dimensional van der Waals heterostructures (1D vdWHs) may suffer from external compression when applied in field-effect, light-emitting and photovoltaic devices. Ternary 1D vdWHs were recently reported to be successfully synthesized (Xiang et al 2020 Science 367, 537). In present work, the buckling behavior of ternary 1D vdWH consisting of an inner carbon nanotube, a middle boron nitride nanotube and an outer molybdenum disulfide nanotube is extensively investigated by using molecular dynamics simulations. We find that the composite can effectively enhance the capability of axial compression of the inner nanotubes. The 1D vdWH gradually loses its stability under uniaxial compression and the critical stress of buckling decreases as the temperature increases. Slenderness ratio α of 4.8 ≤ α ≤ 7.2 has a slight influence on the strength and stability of ternary 1D vdWH under axial compression. To obtain a 1D vdWH with best compressive stability and strength, there is an optimal diameter existing for any specific length. Our work provides guidance for the design of 1D vdWH with desired compressive stability. [ABSTRACT FROM AUTHOR]

Since the first successful exfoliation of graphene, the superior physical and chemical properties of two-dimensional (2D) materials, such as atomic thickness, strong in-plane bonding energy and weak inter-layer van der Waals (vdW) force have attracted wide attention. Meanwhile, there is a surge of interest in novel physics which is absent in bulk materials. Thus, vertical stacking of 2D materials could be critical to discover such physics and develop novel optoelectronic applications. Although vdW heterostructures have been grown by chemical vapor deposition, the available choices of materials for stacking is limited and the device yield is yet to be improved. Another approach to build vdW heterostructure relies on wet/dry transfer techniques like stacking Lego bricks. Although previous reviews have surveyed various wet transfer techniques, novel dry transfer techniques have been recently been demonstrated, featuring clean and sharp interfaces, which also gets rid of contamination, wrinkles, bubbles formed during wet transfer. This review summarizes the optimized dry transfer methods, which paves the way towards high-quality 2D material heterostructures with optimized interfaces. Such transfer techniques also lead to new physical phenomena while enable novel optoelectronic applications on artificial vdW heterostructures, which are discussed in the last part of this review. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D) Janus materials have attracted significant attention due to their asymmetrical structures and unique electronic properties. In this work, by using the first-principles calculation based on density functional theory, we systematically investigate the electronic properties of 6 types of Janus- X Ga2 Y/ Graphene van der Waals heterostructures (vdWHs). The results show that the Janus- X Ga2 Y/ Graphene vdWHs are connected by weak interlayer vdW forces and can form n-type Schottky contact, p-type Schottky contact or Ohmic contact when the spinâ€"orbit coupling (SOC) is not considered. However, when considering SOC, only the SeGa2S/G and G/SeGa2S vdWHs show n-type Schottky contact, and other vdWHs show Ohmic contacts. In addition, the Schottky barriers and contact types of SeGa2S/Graphene and Graphene/SeGa2S vdWHs can be effectively modulated by interlayer distance and biaxial strain. They can be transformed from intrinsic n-type Schottky contact to p-type Schottky contact when the interlayer distances are smaller than 2.65 Ă... and 2.90 Ă..., respectively. They can also be transformed to Ohmic contact by applying external biaxial strain. Our work can provide useful guidelines for designing Schottky nanodiodes, field effect transistors or other low-resistance nanodevices based on the 2D vdWHs. [ABSTRACT FROM AUTHOR]

Two-dimensional (2D)/one dimensionsal (1D)-MoS2/TiO2 heterostructures have proven to be potent for photocatalytic applications. Enhancement of a heterostructure’s photocatalytic activity may be influenced by the accumulation of strain at the interface, which affects the interfacial interaction. Keeping this in mind, the present paper reports strain-accumulated interfacial modification of 2D/1D-MoS2/TiO2 heterostructures for the enhancement of photocatalytic activity. Two different synthesis methods, namely the hydrothermal and chemical vapor deposition (CVD) methods, are used for the growth of MoS2 on TiO2 nanostructures. Micro-Raman spectroscopy reveals that strain is accumulated at the interface of the growth of the MoS2 over the TiO2 nanostructures. It is further revealed that the MoS2/TiO2 heterostructure synthesized by the CVD method induces compressive strain. Also, the heterostructure synthesized by the hydrothermal method induces tensile strain that modifies the charge separation at the interface, which is further confirmed by x-ray photoelectron spectroscopy (XPS). Moreover, ultraviolet photoelectron spectroscopy (UPS) reveals upward band-bending in the MoS2/TiO2 heterostructure synthesized by the hydrothermal method. Similarly, the heterostructure synthesized by the CVD method shows downward band-bending that leads to improved charge separation at the interface. The modified interfaces of the heterostructures are further studied for electrochemical measurements using cyclic voltammetry (CV) and photocatalytic activity by degradation of a model compound. [ABSTRACT FROM AUTHOR]

Identification and synthesis of 2D topological insulators is particularly elusive. According to previous ab initio predictions 2D InBi (Indium Bismide) is a material exhibiting topological properties which are combined with a band gap suitable for practical applications. We employ ab initio molecular dynamics (AIMD) simulations to assess the thermal stability as well as the mechanical properties such as elastic modulus and stressâ€"strain curves of 2D InBi. The obtained new knowledge adds further characteristics appealing to the feasibility of its synthesis and its potential applications. We find that pristine 2D InBi, H-InBi (hydrogenated 2D InBi) as well as 2D InBi heterostructures with graphene are all stable well above room temperature, being the calculated thermal stability for pristine 2D InBi 850 K and for H-InBi in the range above 500 K. The heterostructures of 2D InBi with graphene exhibit thermal stability exceeding 1000 K. In terms of mechanical properties, pristine 2D InBi exhibits similarities with another 2D material, stanene. The fracture stress for 2D InBi is estimated to be ∼3.3 GPa (∼3.6 GPa for stanene) while elastic modulus of 2D InBi reads ∼34 GPa (to compare with ∼23 GPa for stanene). Overall, the thermal stability, elastic, and fracture resistant properties of 2D InBi and its heterostructures with graphene appear as high enough to motivate future attempts directed to its synthesis and characterization. [ABSTRACT FROM AUTHOR]

Through molecular dynamics simulations of tensile tests, the role that vacancies and Stoneâ€"Wales defects play in the mechanical properties of sandwich-like heterostructures, composed by graphene and two symmetric copper layers at nanoscale, is studied. The dependence on the armchair and zigzag chiralities of the graphene layer is also investigated. During elastic deformation, defects negatively affect the mechanical response. However, defective systems can show an improvement of the plastic properties. Vacancies have a stronger impact compared to Stoneâ€"Wales defects. Elasticity, toughness, and ductility are enhanced along the zigzag chirality, while stiffness is improved along the armchair direction. The Poisson’s ratio was calculated for all graphene-copper heterostructures. At a critical strain it becomes negative along the thickness direction, preserving the auxetic property at higher strains. In general, the behavior is governed by the graphene response. Our findings can be useful to understand the strengthening mechanism induced by this two-dimensional material in metals like copper and for the design of similar systems. [ABSTRACT FROM AUTHOR]

The accumulation of Cr(VI) ions in water can cause serious influences on the environment and human health. This work reports a humble synthesis of ZnSe nanoparticles anchored to the sol-gel prepared TiO2 for visible-light-driven photocatalytic reduction of Cr(VI) ions. The 7.9 nm ZnSe nanoparticles were attached to TiO2 surfaces at a content of 1.0âˆ'4.0 wt% as experiential by TEM investigation. The designed nanocomposite unveiled mesostructured surfaces exhibiting surface areas of 176âˆ'210 m2 gâˆ'1. The impregnation of ZnSe amended the visible-light absorption of TiO2 due to the bandgap decrease from 3.14 to 2.90 eV. The photocatalytic reduction of Cr(VI) applying the optimized portion of 3.0 wt% ZnSe/TiO2 was achieved at 177 ÎĽ mol minâˆ'1. This photocatalytic activity is higher than the common Degussa P25 and pristine TiO2 by 20 and 30 times, respectively. The improved performance is signified by the efficient interfacial separation of charge carriers by the introduction of ZnSe. This innovative ZnSe/TiO2 has also shown photocatalytic stability for five consecutive runs. [ABSTRACT FROM AUTHOR]

We investigated the effect of top contact interface and microstructural characteristics of the insulating layers on resistive switching behaviors by fabricating and characterizing the HfO2/ZnO bilayer heterostructures. Different thickness of ZnO underlying layer and different deposition temperatures of the upper HfO2 layer were designed to analyze the intrinsic contribution of the crystalline microstructure of the insulating bilayer. Pt and Ti top electrodes were used to demonstrate the extrinsic contribution of the interface configuration. It was observed that all devices show bipolar RS characteristics. Unlike the device composed of Pt/HfO2/ZnO/Pt that exhibit an abrupt switching, a gradually continuous switching in the reset process was identified in the device composed of Ti/HfO2/ZnO/Pt. Interfacial charge migration process/characteristic plays a key role in the RS process as well as its conduction mechanism. The RS performance of the former is significantly better than that of the latter, including much lower reset voltage, two orders of magnitude larger OFF/ON ratio and HRS resistance. In addition, as compared to the intrinsic contribution arising from the microstructure of the HfO2/ZnO bilayer to the RS performances and current transport mechanism, the extrinsic effect contributed from the electrode characteristics (and its interface) is dominant. [ABSTRACT FROM AUTHOR]

The occurrence of strain is inevitable for the growth of lattice mismatched heterostructures. It affects greatly the mechanical, electrical and optical properties of nano-objects. It is also the case for nanowires which are characterized by a high surface to volume ratio. Thus, the knowledge of the strain distribution in nano-objects is critically important for their implementation into devices. This paper presents an experimental data for II-VI semiconductor system. Scanning nanobeam electron diffraction strain mapping technique for hetero-nanowires characterized by a large lattice mismatch (>6% in the case of CdTe/ZnTe) and containing segments with nano-twins has been described. The spatial resolution of about 2 nm is 10 times better than obtained in synchrotron nanobeam systems. The proposed approach allows us to overcome the difficulties related to nanowire thickness variations during the acquisition of the nano-beam electron diffraction data. In addition, the choice of optimal parameters used for the acquisition of nano-beam diffraction data for strain mapping has been discussed. The knowledge of the strain distribution enables, in our particular case, the improvement of the growth model of extremely strained axial nanowires synthetized by vapor-liquid solid growth mechanism. However, our method can be applied for the strain mapping in nanowire heterostructures grown by any other method. [ABSTRACT FROM AUTHOR]

Van der Waals heterostructures inherit many novel electronic and optical properties from their constituent atomic layers. Mechanical stability is key for realizing high-performance nanodevices based on van der Waals heterostructures. However, buckling instability is a critical mechanical issue for heterostructures associated with its two-dimensional nature. Using molecular dynamics simulations of graphene/MoS2 heterostructures, we demonstrate the relationship between buckling instability and the misfit strain that arises inevitably in such heterostructures. The impact of misfit strain on buckling depends on its magnitude: (1) A negative misfit strain causes a pre-compression of the graphene layer, which in turn initiates and accelerates buckling in this layer and reduces the buckling stability in the heterostructure as a whole. (2) A small positive misfit strain enhances the buckling stability of the graphene/MoS2 heterostructure by pre-stretching and hence decelerating the buckling of the graphene layer (where heterostructure buckling is initiated). (3) In the case of a large positive misfit strain, the graphene layer is pre-stretched while the MoS2 layer is significantly pre-compressed, so that heterostructure buckling is initiated by the MoS2 layer. Consequently, the buckling stability of the graphene/MoS2 heterostructure is reduced by increasing the large positive misfit strain. These findings are valuable for understanding the mechanical properties of van der Waals heterostructures. [ABSTRACT FROM AUTHOR]

Intrinsic two-dimensional (2D) magnetic materials own strong long-range magnetism while their characteristics of the ultrathin thickness and smooth surface provide an ideal platform for manipulating the magnetic properties at 2D limit. This makes them to be potential candidates in various spintronic applications compared to their corresponding bulk counterparts. The discovery of magnetic ordering in 2D CrI3 and Gr2Ge2Te6 nanostructures stimulated tremendous research interest in both experimental and theoretical studies on various intrinsic magnets at 2D limit. This review gives a comprehensive overview of the recent progress on the emergent 2D magnets and heterostructures. Firstly, several kinds of typical 2D magnetic materials discovered in the last few years and their fabrication methods are summarized in detail. Secondly, the current strategies for manipulating magnetic properties in 2D materials are further discussed. Then, the recent advances on the construction of representative van der Waals magnetic heterostructures and their respective performance are provided. With the hope of motivating the researchers in this area, we finally offered the challenges and outlook on 2D magnetism. [ABSTRACT FROM AUTHOR]

Two-dimensional van der Waals heterostructures can combine properties of individual materials to enable high-performance photodetection. Here, a novel ReS2/graphene/WSe2 heterostructure, prepared by dry transfer, demonstrates air-stable, high-performance, polarization-sensitive, and broadband photodetection. Dark current can be strongly suppressed by the built-in electric field of the heterostructure. The specific detectivities are up to 1010 Jones and 109 Jones under zero and reverse bias, respectively. Response time is on the order of a millisecond. The polarization-sensitive photodetection has been observed in the heterostructure due to the low lattice symmetry of ReS2. Broadband photoresponse from visible to infrared range has been demonstrated. A high photoresponsivity of 1.02 A W−1 is achieved for illumination at the wavelength of 785 nm. This work provides a viable approach toward future high-performance, air-stable, and polarization-sensitive broadband photodetectors. [ABSTRACT FROM AUTHOR]

Van der Waals (vdW) heterostructure is a type of metamaterial where multiple layers of 2D materials are vertically aligned at controlled misorientation. The relative rotation in between the adjacent layers, or the twist angle between them plays a crucial role in changing the electronic band structure of the superlattice. The assembly of multi-layers of precisely twisted two dimensional layered materials requires knowledge of the atomic structure at the edge of the flake. It may be artificially created by the 'tear and stack' process. Otherwise, the crystallographic orientation needs to be determined through invasive processes such as transmission electron microscopy or scanning tunneling microscopy, and via second-harmonic generation (SHG). Here, we demonstrate a simple and elegant transfer protocol using only an optical microscope as a edge identifier tool through which, controlled transfer of twisted homobilayer and heterobilayer transition metal dichalcogenides is performed with close to 100% yield. The fabricated twisted vdW heterostructures have been characterized by SHG, Raman spectroscopy and photoluminiscence spectroscopy, confirming the desired twist angle within ∼0.5° accuracy. The presented method is reliable, quick and prevents the use of invasive tools which is desirable for reproducible device functionalities. [ABSTRACT FROM AUTHOR]

Group VA metal halide-based perovskites have emerged as intensively explored Pb-free perovskites, owing to their excellent environmental stability and low-toxicity. However, the relatively low carrier mobility and high photocarrier recombination rates restrict their applications in photodetectors. One promising approach to achieve higher performance is to integrate these Pb-free perovskites with 2D materials to form heterostructures. Here, we report on the high sensitivity photodetectors based on MoS2/Cs3Bi2I9 and graphene/Cs3Bi2I9 heterostructures for multispectral regions. The heterostructures combine the high carrier mobility of 2D materials with superior light-harvesting properties of perovskites, as well as the effective built-in electric filed at the junction area, leading to efficient photocarrier separation and extraction. The specific detectivity of MoS2/Cs3Bi2I9 device reaches 1.15 × 1013 Jones for the detection of ultraviolet (UV) light of 325 nm, which is four orders of magnitude higher than UV detectors built on GaN. As a result of the efficient dark current suppression, the specific detectivity of graphene/Cs3Bi2I9 photodetector can be promoted to 5.24 × 1011 Jones, 1.33 × 1011 Jones, and 1.12 × 1011 Jones for the detection of 325 nm, 447 nm, and 532 nm light, respectively. [ABSTRACT FROM AUTHOR]

The 2D layered crystals can physically integrate with other non-2D components through van der Waals (vdW) interaction, forming mixed-dimensional heterostructures. As a new elemental 2D material, tellurium (Te) has attracted intense recent interest for high room-temperature mobility, excellent air-stability, and the easiness of scalable synthesis. To date, the Te is still in its research infancy, and optoelectronics with low-power consumption are less reported. Motivated by this, we report the fabrication of a mixed-dimensional vdW photodiode using 2D Te and 1D CdS nanobelt in this study. The heterojunction exhibits excellent self-powered photosensing performance and a broad response spectrum up to short-wave infrared. Under 520 nm wavelength, a high responsivity of 98 mA W−1 is obtained at zero bias with an external quantum efficiency of 23%. Accordingly, the photo-to-dark current ratio and specific detectivity reach 9.2 × 103 and 1.9 × 1011 Jones due to the suppressed dark current. This study demonstrates the promising applications of Te/CdS vdW heterostructure in high-performance photodetectors. Besides, such a mixed-dimensional integration strategy paves a new way for device design, thus expanding the research scope for 2D Te-based optoelectronics. [ABSTRACT FROM AUTHOR]

Over the last years metal halide perovskites have demonstrated remarkable potential for integration in light emitting devices. Heterostructures allow for tunable bandgap depending on the local anion composition, crucial for optoelectronic devices, but local structural effects of anion exchange in single crystals is not fully understood. Here, we investigate how the anion exchange of CsPbBr 3 nanowires fully and locally exposed to HCl vapor affects the local crystal structure, using nanofocused x-rays. We study the nanoscale composition and crystal structure as function of HCl exposure time and demonstrate the correlation of anion exchange with changes in the lattice parameter. The local composition was measured by x-ray fluorescence and x-ray diffraction, with general agreement of both methods but with much less variation using latter. The heterostructured nanowires exhibit unintentional gradients in composition, both axially and radially. Ferroelastic domains are observed for all HCl exposure times, and the magnitude of the lattice tilt at the domain walls scales with the Cl concentration., (Creative Commons Attribution license.)

The need for photosensors and gas sensors arises from their pivotal roles in various technological applications, ensuring enhanced efficiency, safety, and functionality in diverse fields. In this paper, interlinked PbS/Sb 2 O 5 thin film has been synthesized by a magnetron sputtering method. We control the temperature to form the nanocomposite by using their different nucleation temperature during the sulfonation process. A nanostructured PbS/Sb 2 O 5 with cross-linked morphology was synthesized by using this fast and efficient method. This method has also been used to grow a uniform thin film of nanocomposite. The photo-sensing and gas-sensing properties related to the PbS/Sb 2 O 5 compared with those of other nanomaterials have also been investigated. The experimental and theoretical calculations reveal that the PbS/Sb 2 O 5 exhibits extraordinarily superior photo-sensing and gas-sensing properties in terms of providing a pathway for electron transport to the electrode. The attractive highly sensitive photo and gas sensing properties of PbS/Sb 2 O 5 make them applicable for many different kinds of applications. The responsivity and detectivity of PbS/Sb 2 O 5 are 0.28 S/mWcm -2 and 1.68 × 10 11 Jones respectively. The sensor response towards NO 2 gas was found to be 0.98 at 10 ppb with an limit of detection (LOD) of 0.083 ppb. The PbS/Sb 2 O 5 exhibits high selectivity towards the NO 2 gas. Density functional theory (DFT) and time-dependent density functional theory (TD-DFT) were used to analyze the geometries, electronic structure, and electronic absorption spectra of a light sensor fabricated by PbS/Sb 2 O 5 . The results are very analogous to the experimental results. Both photosensors and gas sensors are indispensable tools that contribute significantly to the evolution of technology and the improvement of various aspects of modern life., (Creative Commons Attribution license.)

Thermoelectric measurements have the potential to uncover the density of states (DOSs) of low-dimensional materials. Here, we present the anomalous thermoelectric behavior of monolayer graphene-nanowire (NW) heterostructures, showing large oscillations as a function of the doping concentration. Our devices consist of InAs NW and graphene vertical heterostructures, which are electrically isolated by thin (∼10 nm) hexagonal boron nitride (hBN) layers. In contrast to conventional thermoelectric measurements, where a heater is placed on one side of a sample, we use the InAs NW (diameter ∼50 nm) as a local heater placed in the middle of the graphene channel. We measure the thermoelectric voltage induced in graphene due to Joule heating in the NW as a function of temperature (1.5–50 K) and carrier concentration. The thermoelectric voltage in bilayer graphene (BLG)-NW heterostructures shows sign change around the Dirac point, as predicted by Mott's formula. In contrast, the thermoelectric voltage measured across monolayer graphene (MLG)-NW heterostructures shows anomalous large-amplitude oscillations around the Dirac point, not seen in the Mott response derived from the electrical conductivity measured on the same device. The anomalous oscillations are a signature of the modified DOSs in MLG by the electrostatic potential of the NW, which is much weaker in the NW-BLG devices. Thermal calculations of the heterostructure stack show that the temperature gradient is dominant in the graphene region underneath the NW, and thus sensitive to the modified DOSs resulting in anomalous oscillations in the thermoelectric voltage. Furthermore, with the application of a magnetic field, we detect modifications in the DOSs due to the formation of Landau levels in both MLG and BLG. [ABSTRACT FROM AUTHOR]

Heterostructures of graphene and transition-metal dichalcogenides (TMDCs) are promising candidates for high-performance flexible photodetectors because of their high photoresponsivity and detectivity. However, the mechanical stability of current flexible photodetectors is limited, due to a mechanical mismatch between their two-dimensional channel materials and metallic contacts. Herein, we develop a type of mechanically stable, highly responsive, and flexible photodetector by integrating MoS2 and all-carbon transistors. By combining the high mobility of graphene with the strong light–matter interactions of MoS2, our heterostructure photodetector exhibits a greatly improved photoresponse performance, compared with individual graphene or MoS2 photodetectors. In addition, the mechanical properties of the all-carbon electrodes are a good match for those of the active two-dimensional channels, resulting in greatly improved electrical stability of the heterostructure photodetector under mechanical deformation. These capabilities make our heterostructure photodetector a promising candidate for flexible photodetection and photoimaging applications. [ABSTRACT FROM AUTHOR]

Although it suffers from a heavy dependence on the noble platinum catalyst, the electrochemical hydrogen evolution reaction (HER) is one of the most promising methods for the production of hydrogen. After numerous efforts, it is found that MoS2-based heterostructure may replace platinum as the electrochemical HER catalyst. In this work, the nanocrystalline NiSe2/MoS2 heterostructures were successfully prepared on the carbon fiber paper (CFP) substrate through electrochemical deposition and hydrothermal process. According to a series of electrochemical HER tests and a comparison with other MoS2-based heterostructure catalysts, the CFP/NiSe2/MoS2 catalyst with an overpotential η10 of 143 mV and a Tafel slope of 45 mV dec−1 exhibited an excellent electrochemical HER catalytic performance and durability. In addition, CFP/NiSe2/MoS2 catalyst was treated by plasma to further improve the catalytic performance of the catalyst. [ABSTRACT FROM AUTHOR]

High-quality van der Waals heterostructures assembled from hBN-encapsulated monolayer transition metal dichalcogenides enable observations of subtle optical and spin-valley properties whose identification was beyond the reach of structures exfoliated directly on standard SiO2/Si substrates. Here, we describe different van der Waals heterostructures based on uncapped single-layer MoS2 stacked onto hBN layers of different thicknesses and hBN-encapsulated monolayers. Depending on the doping level, they reveal the fine structure of excitonic complexes, i.e. neutral and charged excitons. In the emission spectra of a particular MoS2/hBN heterostructure without an hBN cap we resolve two trion peaks, T1 and T2, energetically split by about 10 meV, resembling the pair of singlet and triplet trion peaks (TS and TT) in tungsten-based materials. The existence of these trion features suggests that monolayer MoS2 has a dark excitonic ground state, despite having a 'bright' single-particle arrangement of spin-polarized conduction bands. In addition, we show that the effective excitonic g-factor significantly depends on the electron concentration and reaches the lowest value of −2.47 for hBN-encapsulated structures, which reveals a nearly neutral doping regime. In the uncapped MoS2 structures, the excitonic g-factor varies from −1.15 to −1.39 depending on the thickness of the bottom hBN layer and decreases as a function of rising temperature. [ABSTRACT FROM AUTHOR]

Metal telluride/Te heterostructure nanowires are important thermoelectric materials and it is important to be able to tune these materials according to the requirement of the application. In order to do so, a good understanding of the reaction mechanism and critical observation of the evolution of the nanowire heterostructure during the course of reaction is essential. Here, single crystalline, anisotropic Te core/Bi2Te3 shell nanowires have been synthesized by a facile template-based wet chemical synthesis method. The formation and evolution mechanism of the heterostructure has been elucidated by several control reactions, detailed transmission electron microscopy imaging and composition analysis using energy dispersive spectroscopy in scanning transmission electron microscopy mode of the products of the reactions. Fundamental understanding of the formation mechanism and time-dependent evolution of the core–shell structure in the nanowire have led to successful designing of higher order heterostructures involving Te/Bi2-xPbxTe3. Through this study, interesting insights into the crystal structure evolution, crystal growth and miscibility of PbTe and Bi2Te3 into each other is obtained. [ABSTRACT FROM AUTHOR]

The synthesis of heterostructured core–shell nanocrystals has attracted significant attention due to their wide range of applications in energy, medicine and environment. To further extend the possible nanostructures, non-epitaxial growth is introduced to form heterostructures with large lattice mismatches, which cannot be achieved by classical epitaxial growth techniques. Here, we report the synthetic procedure of Au@ZnTe core–shell nanostructures by cation exchange reaction for the first time. For that, bimetallic Au@Ag heterostructures were synthesized by using PDDA as stabilizer and shape-controller. Then, by addition of Te and Zn precursors in a step-wise reaction, the zinc and silver cation exchange was performed and Au@ZnTe nanocrystals were obtained. Structural and optical characterization confirmed the formation of the Au@ZnTe nanocrystals. The optimization of the synthesis led to the bright nanocrystals with a photoluminescence quantum yield up to 27%. The non-toxic, versatile synthetic route, and bright emission of the synthesized Au@ZnTe nanocrystals offer significant potential for future bio-imaging and optoelectronic applications. [ABSTRACT FROM AUTHOR]

The design of optoelectronic devices made with ZnO superlattices requires the knowledge of the refractive index, which currently can be done only for films thicker than 30 nm. In this work, we present an effective medium approach to determine the refractive index of ZnO layers as thin as 2 nm. The approach was implemented by determining the refractive index of ZnO layers ranging from 2 nm to 20 nm using spectroscopic ellipsometry measurements in multilayers. For a precise control of morphology and thickness, the superlattices were fabricated with atomic layer deposition (ALD) with alternating layers of 2 nm thick Al2O3 and ZnO, labeled as NZnO-Al2O3, where N = 10, 20, 30, 50, 75 and 100. The total thickness of all superlattices was kept at 100 nm. The approach was validated by applying it to similar superlattices reported in the literature and fitting the transmittance spectra of the superlattices. [ABSTRACT FROM AUTHOR]

Heterostructures formed by stacking atomically thin two-dimensional materials are promising candidates for flash memory devices to achieve premium performances, due to the capability of effective carrier modulation and unique charge trapping behavior at the interfaces with atomic flatness. Here, we report a nonvolatile floating-gate flash memory based on MoTe2/h-BN/graphene van der Waals heterostructure, which possesses increased data storage capacity per cell and versatile tunability. The decent memory behavior of the device is enabled by the carriers stored in the floating gate of graphene layer, which tunnel through the dielectric layer of h-BN from the channel layer of MoTe2 under static-electrical field. Consequently, the developed memory device is capable to store 2 bits per cell by applying varied gate bias to implement multi-distinctive current levels. The device also exhibits remarkable erase/program current ratio of ∼105 with 1 µs switch speed and stable retention with estimated ∼30% charge loss after 10 yr. Furthermore, the memory device can operate in both p- and n-type modes through contact engineering, offering wide adaptability for emerging applications in electronic technologies, such as neuromorphic computing, data-adaptive energy efficient memory, and complex digital circuits. [ABSTRACT FROM AUTHOR]

We find stiffness properties of van der Waals heterostructures made of graphene and carbon nanotubes (CNTs) using molecular dynamics (MD) simulations. The variation of the stiffness tensor is studied at different temperatures for structures with changing CNT density, and orientations. Orthotropic structures with unidirectional CNTs have high stiffness ∼300–500 GPa, in one direction. Structures with transverse isotropy show stiffness of ∼150–350 GPa along two mutually perpendicular directions. The orthotropic structures also show greater stiffness with increasing CNT density, while the others are insensitive to it. In general,the stiffness constant values are decrease as temperatures increase. The results can aid in determining useful heterostructure configuration for a particular application and in finding overall stiffness of devices having additional components. [ABSTRACT FROM AUTHOR]

WO3−x was deposited on TiO2(B) nanosheets prepared using TiCl4 to form layered heterostructures via a two-step solvothermal synthesis, in which the horizontal growth of WO3−x on TiO2(B) nanosheets was carried out using WCl6 and ascorbic acid as a reducer. Optimized preparation conditions allowed WO3−x/TiO2(B) layered heterostructures to be formed. The photo- and electro-chemical properties of layered heterostructures depended strongly on the amount of WO3−x. The WO3−x/TiO2(B) heterostructures demonstrated perfect catalytic performance in full solar-spectrum light and a fast degradation effect for dye and organic colorless pollutant. All target chemicals were degraded within 10 min using WO3−x/TiO2(B) samples as a photo-catalyst in the full solar-spectrum. The photo-assisted production kinetic of Cr(VI) ions were tested. The results indicate that the reproduction rate of Cr(VI) ions using WO3−x/TiO2(B) sample is three times higher than the initial TiO2 nanosheets. The result of the photo current and Mott–Shottky curve indicates that enhanced catalysis activity is ascribed to the surface of the metastable TiO2(B) with Ti3+ defects and oxygen vacancies as active sites for photocatalytic reaction. In addition, the loading of WO3−x greatly broadened the light absorption range of TiO2(B), meaning that the product responded in the full solar spectrum. [ABSTRACT FROM AUTHOR]

Heterojunction engineering plays an indispensable role in improving gas-sensing performance. However, rational heterojunction engineering to achieve room-temperature NO2 sensing with both high response and rapid recovery is still a challenge. Herein, a 2D/2D heterojunction of g–C3N4/SnS2 is designed to improve the sensing performance of SnS2 and used for ultrasensitive and rapid-recoverable NO2 detection at room temperature. The pristine SnS2 fails to work at room temperature because of its high resistivity and weak adsorption to NO2. After combination with g–C3N4 nanosheets, the g–C3N4/SnS2-based sensor exhibits an extremely high response (503%) and short recovery time (166 s) towards 1 ppm NO2 at room temperature. The improved sensing performance is primarily attributed to the increased adsorption sites and enhanced charge transfer induced by the 2D/2D heterojunctions with large interface contact area. This achievement of g–C3N4/SnS2 2D/2D heterostructures demonstrates a promising pathway for the design of sensitive gas-sensing material based on a 2D/2D heterojunction strategy. [ABSTRACT FROM AUTHOR]

The thermal expansion effect plays an important role in governing the thermal stability or the stable configuration of quasi-two-dimensional atomic layers, where the difference between the thermal expansion coefficient of different kinds of atomic layer in lateral heterostructure may cause strong thermal rippling of the atomic layer. We investigate the thermal expansion phenomenon in the WSe2–MoS2 lateral heterostructure. We find that the thermal expansion coefficient can be enhanced by more than a factor of two via varying the ratio between the WSe2 and MoS2 components in the heterostructure. The underlying mechanism is disclosed to be the buckling of the WSe2 region that is induced by the misfit strain at the coherent interface between WSe2 and MoS2. These findings shall be helpful in handling the thermal stability of functional devices based on the transition-metal dichalcogenide lateral heterostructures and other similar quasi-two-dimensional lateral heterostructures. [ABSTRACT FROM AUTHOR]

In this work, we report the spontaneous formation of NiO nanoparticles-decorated onto smooth SnO2 nanofibers, which is an inexpensive and scalable method for yielding a high composite surface area via a simple two-step synthesis process based on electrospinning and the hydrothermal method. A Nickel Oxide proton-conducting electrolyte is deposited homogeneously over a large surface area in a transparent solution, mixed and decorated onto Tin dioxide nanofibers, as evidenced by cross sectional imaging of the electrospun nanofibers. The composite based on nanoparticle-decorated fibers enlarges the surface area of the exposed electrolyte, which fundamentally improves the overall gas sensing performance. The crystal structure, morphology, and physio-chemical surface state of the NiO/SnO2-based specimen are comprehensively examined using XRD, SEM, TEM, HRTEM, EDX, and photoelectron (XPS) spectroscopy. The composite based on NiO/SnO2 nanoparticle-decorated fibers exhibits an optimistic mesoporous nature with a huge specific area, which is key for superior gas sensors. The result reveals that NiO/SnO2 nanoparticle-decorated fibers with an average size of 180–260 nm in diameter, where the average length of fibers was about 1.5 μm. The composite-based heterojunction of NiO/SnO2 nanoparticle-decorated fibers enhances the adsorption of oxygen molecules, which show fast response, good selectivity and quick recovery speed against ethanol gas at an optimal temperature of about 160 °C. The maximum sensitivity response of the sensor-based composite NiO/SnO2 nanoparticle-decorated fibers was 23.87 in respect of 100 ppm ethanol gas at a low temperature of 160 °C; this is approximately about 7.2 times superior to that of pure SnO2 nanofibers. The superior gas sensing capabilities of a composite based on NiO/SnO2 nanoparticle-decorated fibers may be attributable to the enhanced catalytic effect of the small sized NiO nanoparticles on smooth SnO2 nanofibers, together with the p/n heterojunction effects between NiO and SnO2 heterostructures. [ABSTRACT FROM AUTHOR]

The development of the dry transfer method provides an abundant platform to construct various heterostructures of two-dimensional materials. However, the surface and interface cleanliness are essential to realize high electronical performance of heterostructures devices. Here, we demonstrated thermal annealing effect on the mobility and electrical transport properties of graphene on hexagonal boron nitride heterostructures devices. With different annealing temperature recipes for graphene on hexagonal boron nitride devices, we found annealing temperature at 300 °C can clean resist residual and achieve high mobility. Atomic force microscopy results also present a clean surface and small average root mean square roughness as low as 210 pm. Well defined oscillations and plateaus of electrical transport at low magnetic field indicate a high-quality graphene surface. [ABSTRACT FROM AUTHOR]

Bi2SiO5/Bi4MoO9 photocatalysts with heterostructures were successfully prepared using a one-pot solvothermal route. The effect of the molybdenum source on composite formation is discussed. Under ultraviolet light irradiation, the Bi2SiO5/Bi4MoO9 heterojunction photocatalyst exhibited higher photocatalytic performance than Bi2SiO5 and Bi4MoO9 towards the degradation of ciprofloxacin (CIP). This dramatically enhanced photoactivity can be ascribed to the construction of a heterojunction interface between Bi2SiO5 and Bi4MoO9, which not only suppresses the recombination of photoexcited charge carriers but also enhances light absorption. In addition, from a practical point of view, the the effect of initial CIP concentration and coexisting ions on the photodegradation process using as-prepared Bi2SiO5/Bi4MoO9 heterojunction photocatalysts was explored. Trapping experiments demonstrate that photoexcited holes and superoxide radicals are the main active species in the photodegradation of CIP over Bi2SiO5/Bi4MoO9 heterojunctions. Meanwhile, the conduction band and valence band potentials of Bi2SiO5 and Bi4MoO9 were measured by density functional theory calculation, diffuse reflectance spectroscopy and Mott–Schottky curves. A possible photocatalytic mechanism for CIP degradation over the Bi2SiO5/Bi4MoO9 heterojunction is proposed. [ABSTRACT FROM AUTHOR]

We present a quick and reliable method to cut 2D materials for creating 2D twisted heterostructures and devices. We demonstrate the effectiveness of using a tapered fibre scalpel for cutting graphene. Electrical transport measurements show evidence of the desired twist between the graphene layers fabricated using our technique. Statistics of the number of successfully twisted stacks made using our method is compared with h-BN assisted tear-and-stack method. Also, our method can be used for twisted stack fabrication of materials that are few nanometers thick. Finally, we demonstrate the versatility of the tapered fibre scalpel for other shaping related applications for sensitive 2D materials. [ABSTRACT FROM AUTHOR]

In this paper, the effect of BC3, C3N and substrates on the atomic and electronic properties of MoS2 were systematically investigated using first-principles calculations. Our results show that the MoS2/BC3 and MoS2/C3N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than −4%, transforms it into a metal where the metallic character is maintained for strains larger than −6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/Ĺ, and with increase above +0.8 V/Ĺ, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively. [ABSTRACT FROM AUTHOR]