Zigzag Direction Research Articles

Sensing-performance improvement of 2D MoSH based gas sensors for detecting NO, NO2, and NH3 gas molecules

Nitrogen group oxide is one of the major pollutants in the air, and its accurate and rapid detection is essential for environmental protection and human health. Therefore, it is of great significance to develop high-performance new line sensor for Nitrogen group oxide. Here, we investigate the potential of monolayer 2D MoSH materials as candidates for NO gas sensing using a combination of density functional theory and non-equilibrium functions to construct nanodevices based on MoSH monolayer, and theoretically study the adsorption behavior of MoSH monolayer to NO, NO2, and NH3 gas molecules. The results indicate that MoSH monolayer exhibit metallicity, and nanodevices based on 2D MoSH monolayer exhibit anisotropic transport properties and significant negative differential resistance effects(NDR). More interestingly, gas sensors based on MoSH monolayers exhibit typical chemical adsorption of NO, NO2, and NH3 gas molecules, and the anisotropic transport properties still maintain, but significant differences of sensitivity appear for these three gas molecules. Specifically, the MoSH based gas sensor has the highest sensitivity to NO, reaching 93.1% and 76.3% along the armchair and zigzag directions, respectively. These results show that 2D MoSH monolayer is an excellent gas-sensing material with excellent application prospects for NO gas detection.

Photodetector Based on Elemental Ferroelectric Black Phosphorus-like Bismuth.

Two-dimensional ferroelectric materials have emerged as a promising candidate for the development of next-generation photodetectors owing to their inherent photogalvanic effect (PGE) and strong light-matter interactions. Recently, the first-ever elemental-based ferroelectric material, black-phosphorus-like Bi (BP-Bi), has been successfully synthesized. In this work, we investigate the PGE of the monolayer (ML) BP-Bi by using ab initio quantum transport simulation. We find that the photocurrent of the ML BP-Bi in the ferroelectric direction (armchair) is significantly larger than that in the vertical ferroelectric direction [zigzag (ZZ)]. For example, despite the comparable optical absorption rates of BP-Bi in the armchair (ARM) and ZZ directions, the maximum photocurrent (133 mA/W) in the ARM direction is 2 orders of magnitude greater than that (4.70 mA/W) in the ZZ direction. The asymmetry is attributed to the breaking and existence of the mirror inversion symmetries along the ARM and ZZ directions, respectively. Our work paves the way for the research of the low-dimensional ferroelectric photodetector.

Edge-dependent photogalvanic effect in 1T′-ReS2-based polarization self-powered photodetectors

Polarization photodetectors with linear/circular photogalvanic effect (L/CPGE) have garnered significant attention due to their wide range of application prospects. However, few kinds of photodetectors are adept at distinguishing between LPGE and CPGE. Here, we investigated a type of polarization-sensitive photodetector based on 1T′-ReS2 nanoribbon (1T′-ReS2 NR) within the framework of density functional theory. It is found that the CPGE photocurrent of 1T′-ReS2 NR along the zigzag direction can be 102 to 103 times larger than that of LPGE. Moreover, the sensitivity to polarized light of 1T′-ReS2 NR can be significantly enhanced. The extinction ratio can be up to 55, which is 4.6 times higher than that the 1T′-ReS2 monolayer. Remarkably, the introduction of magnetism through edge effects enables 1T′-ReS2 NR photodetector to achieve a spin injection efficiency close to 100%. Our results provide an avenue for the design of high-photosensitivity and low-power spintronic devices.

Molecular Dynamics Simulation of Temperature and Defect-Induced Change of the Mechanical Properties of PBCF-Graphene Nanosheet

This study employs Molecular Dynamics (MD) simulations to investigate the mechanical properties of a Poly-Butadiene-Cyclooctatetraene-Framework (PBCF) graphene nanosheet, a two-dimensional sp2 hybridized honeycomb carbon allotrope. The simulations considered the effects of temperature and defects on the nanosheets' behavior. The mechanical properties examined include the stress-strain behavior, Young's modulus, ultimate stress, as well as stress distribution within nanosheet prior to final fracture during tensile loading. PCBF-graphene nanosheets have a Young's modulus of 841.76 GPa (armchair) and 753.15 GPa (zigzag), with higher stiffness in the armchair orientation. The material behaves brittle in the zigzag direction and ductile in the armchair, highlighting its anisotropic mechanical properties. Temperature significantly impacts mechanical properties, with both Young's modulus and ultimate stress decreasing as temperature rises. Zigzag nanosheets are more sensitive to these changes. Initially, the armchair PBCF-graphene nanosheet has higher Young's modulus, but at elevated temperatures, the zigzag nanosheet surpasses it.

Van der Waals GeSe with Strain- and Gate-Tunable Linear Dichroism for Wearable Electronics.

The direct detection of light polarization poses a crucial challenge in the field of optoelectronics and photonics. Herein, the tunable linear dichroism (LD) in GeSe-based polarized photodetectors is presented through electronic and structural asymmetry modulation, and demonstrate their application prospects in wearable electronics. An improvement in the dichroic ratio up to 34% is achieved under a gate voltage of 20V, and the improvement reaches 44% by applying a tensile strain along the zigzag direction. Theoretical calculations reveal that the gate regulation of barrier height between GeSe and Au electrodes is responsible for the electrical-tunable LD, while the anisotropic optical absorption in response to strains leads to the strain-tunable LD. Moreover, flexible GeSe transistors are developed for wearable applications including motion sensors and glucose monitors. This study offers viable approaches for modulating the optical anisotropy of low-dimensional materials and emphasizes the versatility of van der Waals materials for practical applications in wearable electronic devices.

High thermoelectric performances of monolayer GeTe allotropes

Aiming at finding wide-temperature-zone thermoelectric (TE) materials, five kinds of monolayer GeTe allotropes including the newly designedγ-,δ-, andɛ-GeTe monolayers and the usualα- andβ-GeTe ones are constructed. By using the density functional theory and the nonequilibrium Green's function method, all their electronic properties and TE transport properties are comparatively investigated. It is found that the room-temperature figure of meritZTof theγ-GeTe (ɛ-GeTe) along the armchair (zigzag) direction can amount to 4.5 (3.5), which is further increased to 7.15 (5.91) at 700 K. TheseZTvalues are much higher than the other IV-VI compounds usually withZT < 3, indicating that the armchairγ-GeTe and the zigzagɛ-GeTe we designed here can be used as superior wide-temperature-zone and high-performance TE materials in the temperature range from 300 K to 700 K. Moreover, with the increase of temperature, theZTpeaks will become wider in width and move towards the position of zero chemical potential, which will make the GeTe-based TE devices work at low bias voltages more efficiently. This work should be an important reference on the way to the stage ofZT⩾4, which will motivate more explorations into the high-performance TE materials working in a wider temperature scope.

Mechanical properties of TPDH-graphene: atomistic aspect

Abstract TPDH-graphene is a new type of two-dimensional carbon material predicted by first-principles calculations to have tetragonal (T), pentagonal (P), decagonal (D) and hexagonal (H) carbon ring structures. First-principles calculations show that this special structure gives it excellent mechanical properties and promising applications in nanoelectronics. In this paper, a comprehensive test of its mechanical properties was carried out using the classical molecular dynamics (MD), mainly exploring the effects of factors such as tensile direction and temperature on its mechanical properties, and exploring the effects of introducing rectangular and circular defects on its mechanical properties. The results show that: TPDH-graphene exhibits significant anisotropy in zigzag and armchair directions, and the material exhibits some tensile toughness in armchair direction; the mechanical properties of the material are weakened at higher temperatures; the adding of defects leads to the reduction of the mechanical properties of the material in different directions to different degrees, and the The tensile toughness in the armchair direction is weakened by the addition of defects.

Utilizing armchair and zigzag nanoribbons for improved detection of SO2 Toxicity with graphene biosensor

Graphene nanoribbons (GNRs), with their distinctive structural and electronic characteristics, offer significant potential for use as biosensors in the detection of sulfur dioxide (SO₂) levels. This study employs Density Functional Theory (DFT) to evaluate the sensitivity of armchair graphene nanoribbons (AGNRs) to SO₂ gas. Specifically, we investigate the influence of SO₂ molecules on the electronic and transport characteristics of both pure and Cr-doped zigzag graphene nanoribbons (ZGNRs) and Cr-doped AGNRs. Key electronic properties, including band structure, adsorption energy, and density of states (DOS), were analyzed following SO₂ adsorption. The results indicate that Cr doping leads to significant changes in the electronic properties of AGNRs upon SO₂ exposure, including alterations in the Fermi surface that result in band separation and the formation of a forbidden band. The adsorption energy of Cr-doped AGNR increased from 0.07 eV (pristine AGNR) to 0.55 eV (Cr-doped AGNR), nearly eight times higher, indicating strong chemisorption of SO₂. These findings suggest that Cr-doped AGNRs exhibit high sensitivity to SO₂, making them promising candidates for gas detection. Furthermore, this study reveals that SO₂ adsorption in the armchair direction results in a more pronounced peak-to-valley ratio compared to the zigzag direction, highlighting distinct characteristics in SO₂ adsorption behavior. These findings could facilitate the development of advanced sensors with improved sensitivity and selectivity for environmental monitoring and safety applications.

Theoretical insights of 2D Fe3GeTe2/In2Se3 multiferroic vdW heterostructure based gas sensors for high-performance NO detecting

The impact of the harmful gas NO on the atmospheric environment cannot be ignored, so it is necessary to develop efficient gas sensors to detect and absorb NO at room temperature. In this work, we systematically explored the electron transport properties and gas sensing properties of Fe3GeTe2, In2Se3 monolayers and its multiferroic van der Waals (vdW) heterostructures of Fe3GeTe2/In2Se3 for detecting NO by using density functional theory and nonequilibrium Green's function methods. The calculated adsorption energies, electron localisation functions, band structures and density of states indicate that its a chemisorption for the adsorption of NO on Fe3GeTe2 and a physisorption on In2Se3, while the specific adsorption style is highly dependent on the stacking and molecular adsorption sites of different Fe3GeTe2/In2Se3 structures. In addition, the pristine Fe3GeTe2 monolayer and Fe3GeTe2/In2Se3 based nanodevices realized a significant anisotropy for electron transport along the zigzag and armchair directions, and their anisotropic maximum current ratios in the zigzag to armchair directions were 1.90 and 1.89. Meanwhile, the NO sensitivity ratio of Fe3GeTe2 and Fe3GeTe2/In2Se3 based gas sensors can be up to 79 % and 107 %, respectively. This highlights a notably superior gas-sensitive performance of the Fe3GeTe2/In2Se3 heterostructure compared to the Fe3GeTe2 monolayer gas devices. These findings provide valuable references for the application of multiferroic heterostructures in the field of gas sensors.

Strain-modulated intercalated phases of Pb monolayer with dual periodicity in SiC(0001)-graphene interface

Intercalation of metal atoms at the SiC(0001)-graphene (Gr) interface can provide confined 2D metal layers with interesting electronic properties. The intercalated Pb monolayer (ML) has shown the coexistence of the Gr(10 × 10)-moiré and a stripe phase, which still lacks understanding. Using density functional theory calculation and thermal annealing with ab initio molecular dynamics as motivated by experiment, we have studied the formation energy of Gr/Pb/SiC(0001) for different Pb coverages. Near the coverage of a Pb(111)-like ML mimicking the (10 × 10)-moiré, we find a slightly more stable stripe structure, where one half of the structure has compressive strain with Pb occupying the Si-top sites and the other half has tensile strain with Pb off the Si-top sites. This stripe structure along the Gr zigzag direction has a periodicity of 2.3 nm across the [1 2¯ 10] direction agreeing with the previous observations using scanning tunneling microscopy. Analysis with electron density difference and density of states show the tensile region has a more metallic character than the compressive region, while both are dominated by charge transfer from Pb ML to SiC(0001). The small energy difference between the stripe and Pb(111)-like structures means the two phases are almost degenerate and can coexist, which explains the experimental observations.

Fano resonances in gated phosphorene junctions

Fano resonances appear in plenty of physical phenomena due to the interference phenomena of a continuum spectrum and discrete states. In gated bilayer graphene junctions, the chiral matching at oblique incidence between the spectrum of electron states outside the electrostatic barrier and hole bound states inside it gives rise to an asymmetric line shape in the transmission as a function of the energy or Fano resonance. Here, we show that Fano resonances are also possible in gated phosphorene junctions along the zigzag direction. The special pseudospin texture of the charge carriers in the zigzag direction allows at oblique incidence the interference phenomena of the spectrum of electron states outside the electrostatic barrier with hole bound states inside it, giving rise to an asymmetric Fano line shape in the transmission. Due to the energy scale of the electrostatic barriers in phosphorene ultra thin barriers are required to observe the Fano resonance phenomenon. The preservation of the pseudospin texture with the closing of the phosphorene band gap opens the possibility to observe Fano resonances in smaller and wider electrostatic barriers. The asymmetric Fano line shape is susceptible to the transverse wave vector, the strength and width of the electrostatic barrier. Additionally, the conductance shows a characteristic mark in the position where the Fano resonances take place. The similarities and differences with respect to Fano resonances in bilayer graphene are also addressed.

Infrared optoelectronics in twisted black phosphorus

Electrons and holes, fundamental charge carriers in semiconductors, dominate optical transitions and detection processes. Twisted van der Waals (vdW) heterostructures offer an effective approach to manipulate radiation, separation, and collection processes of electron-hole pairs by creating an atomically sharp interface. Here, we demonstrate that twisted interfaces in vdW layered black phosphorus (BP), an infrared semiconductor with highly anisotropic crystalline structure and properties, can significantly alter both recombination and separation processes of electron-hole pairs. On the one hand, the twisted interface breaks the symmetry of optical transition states resulting in infrared light emission of originally symmetry-forbidden optical states along the zigzag direction. On the other hand, spontaneous electronic polarization/bulk photovoltaic effect is generated at the twisted interface enabling effective separation of electron-hole pairs without external voltage bias. This is supported by first-principles calculations and repeated experiments at various twisted angles from 0 to 90°. Importantly, these phenomena can be observed in twisted heterostructures with thickness beyond two-dimensional. Our results suggest that the engineering of vdW twisted interfaces is an effective strategy for manipulating the optoelectronic properties of materials and constructing functional devices.

Strain-tunable lattice and energy gap in bulk black phosphorus

This study employs an optimized model to investigate the lattice deformation and band structure evolutions induced by the tensile strain along the zigzag direction of bulk black phosphorus (bulk BP) and the physical mechanisms behind it. It has been found that the tensile strain leads to the lattice expansion along the zigzag direction, while contracting along the armchair direction, and the out-of-plane lattice undergoes sequential expansion and contraction. This is also accompanied by an increasing and decreasing of the bulk energy gap and eventually reaching zero. Furthermore, one hopping factor has been proposed to connecting the interlayer spacing and the interlayer interaction, which successfully explains the strain-induced evolutions of the bulk energy gap. This work provides a theoretical reference for the strain-induced band engineering of bulk BP.

Molecular dynamics study of mechanical stability of Ti4C3 MXene subjected to chirality, temperature, strain rate, and point-vacancy for Lithium-ion batteries

Two-dimensional Ti4C3 MXene has recently emerged as a promising electrode for Lithium-ion batteries (LIBs) because of its outstanding ion-transport abilities and high Li-absorbability. This study employed molecular dynamics simulation to explore the mechanical stability of Ti4C3 MXene subjected to various temperatures, strain rates, and vacancy concentrations. A slightly superior tensile strength and elasticity modulus have been observed along zigzag directions, measuring 148.14 GPa and 29.17 GPa, respectively. On the other hand, armchair-oriented Ti4C3 MXene shows a considerably greater fracture strain of 0.259 due to its strain-hardening tendency at lower temperatures. Elevated temperature decreases both fracture strength and fracture strain, which is opposite to the effect of strain rate. Armchair loading has been revealed to be more sensitive to strain rate than its counter direction. Unlike temperature and strain rate, point vacancy significantly deteriorates the elastic modulus of Ti4C3 MXene. Carbon vacancies are more probable than titanium vacancies, which have less formation energy. The atomistic deformation profile supports the predicted values of fracture strain from stress-strain behavior. This in-depth study offers a detailed understanding of the mechanical behavior of Ti4C3 MXene under diverse circumstances, which will aid further experimental study and be beneficial for adopting Ti4C3 as anode materials in LIBs.

Susceptible Detection of Organic Molecules Based on C3B/Graphene and C3N/Graphene van der Waals Heterojunction Gas Sensors.

Constructing van der Waals (vdW) heterostructures is a prospective approach that is essential for developing a new generation of functional two-dimensional (2D) materials and designing new conceptual nanodevices. Using density-functional theory combined with a nonequilibrium Green's function approach allows for the theoretical and systematic exploration of the electronic structure, transport properties, and sensitivity of organic small molecules adsorbed on 2D C3B/graphene (Gra) and C3N/Gra vdW heterojunctions. Calculations show the metallic properties of C3B/Gra and C3N/Gra after the formation of heterojunctions. Interestingly, the heterojunctions C3B/Gra (C3N/Gra) for the adsorption of small organic molecules (C2H2, C2H4, CH3OH, CH4, and HCHO) at the C3B (C3N) side are sensitive to the chemisorption of C2H2 and C2H4. Similarly, the Gra/C3B is chemisorbed for both C2H2 and C2H4 when adsorbed on Gra side, while it is only chemisorbed for C2H2 in Gra/C3N. Interestingly, all heterojunctions on different sides are physisorbed for CH3OH, CH4, and HCHO. Furthermore, the calculated I-V curves demonstrate that the devices based on the adsorption of C2H2 and C2H4 at each side of the heterojunction have remarkable anisotropy, in with the current being considerably greater in the zigzag direction than in the armchair direction. More specifically, with C2H2 adsorbed on the Gra side, the sensitivity along the armchair direction is up to 85.0% for Gra/C3B and close to 100% for Gra/C3N. This study reveals that C3B/Gra (C3N/Gra) heterojunctions with high selectivity, high anisotropy, and excellent sensitivity are highly prospective 2D materials for applications, which further contributes new insights into the development of future electronic nanodevices.

Molecular Dynamics Insights into Mechanical Stability, Elastic Properties, and Fracture Behavior of PHOTH-Graphene.

PHOTH-graphene is a newly predicted 2D carbon material with a low-energy structure. However, its mechanical stability and fracture properties are still elusive. The mechanical stability, elastic, and fracture properties of PHOTH-graphene were investigated using classical molecular dynamics (MD) simulations equipped with REBO potential in this study. The influence of orientation and temperature on mechanical properties was evaluated. Specifically, the Young's modulus, toughness, and ultimate stress and strain varied by -26.14%, 36.46%, 29.04%, and 25.12%, respectively, when comparing the armchair direction to the zigzag direction. The percentage reduction in ultimate stress, ultimate strain, and toughness of the material in both directions after a temperature increase of 1000 K (from 200 K to 1200 K) ranged from 56.69% to 91.80%, and the Young's modulus was reduced by 13.63% and 7.25% in both directions, respectively, with Young's modulus showing lower sensitivity. Defects usually weaken the material's strength, but adding random point defects in the range of 3% to 5% significantly increases the ultimate strain of the material. Furthermore, hydrogen atom adsorption induces crack expansion to occur earlier, and the crack tip without hydrogen atom adsorption just began to expand when the strain was 0.135, while the crack tip with hydrogen atom adsorption had already undergone significant expansion. This study provides a reference for the possible future practical application of PHOTH-graphene in terms of mechanical properties and fracture failure.

Unveiling the tunable electronic, optoelectronic, and strain-sensitive gas sensing properties of Janus ZrBrCl: Insights from DFT study

Janus monolayers materials exhibit extraordinary physical and chemical properties because of crystal field changes caused by their asymmetric structures. Here, we investigate the electronic, switching, optoelectronic, and strain-sensitive gas-sensing properties of a Janus ZrBrCl monolayer via density-functional theory and the nonequilibrium Green’s function methods. The electronic properties can be tuned by applying biaxial strain and electric fields. In particular, the band gap can be changed from indirect to direct via applied a + 8 % biaxial tensile strain. It can be transformed from a semiconductor to a metal with an applied −14 % biaxial compressive strain, with a 1011 switching ratio. In addition, a biaxial strain and an electric field can modulate visible light absorption and photocurrents. Under a −12 % biaxial compressive strain, the absorption coefficient increased to 5.26 × 105 cm−1 from the intrinsic 4.08 × 105 cm−1. Across biaxial strains from −4% to + 4 %, the photocurrent density peak displayed red and blue shifts, respectively, with increasing tensile and compressive strains. NH3, NO2, and NO physically adsorb on the Br side of the ZrBrCl monolayer. Maximum gas sensitivity values of a ZrBrCl sensor are 52 % in the zigzag direction and 21 % in the armchair direction. After application of the −14 % biaxial strain, the maximum values respectively increased to 76 % and 179 %. The biaxial compressive strain-sensitive gas-sensing properties are driven by changes in the electrostatic potential difference between the Br and Cl surfaces. These findings indicate promising candidate materials for high-performance switching and optoelectronic devices, and also provide a strategy for improved gas sensors.

Exploring hydrophobicity or hydrophilicity of borophene surface via reactive molecular dynamics simulation

Borophene, a novel two-dimensional material unveiled in 1998, has garnered significant interest among researchers due to its distinct mechanical and electrical characteristics. Efforts to experimentally synthesize borophene continue to captivate researchers’ interest in recent years. Given the current lack of experimental studies on the interaction between water and the borophene surface, molecular dynamics simulation offers a valuable approach for predicting the substance’s reactivity with water. Additionally, such simulations can assess the hydrophilicity and hydrophobicity of borophene, providing valuable insights into its properties. In our current research, we utilized reactive molecular dynamics simulation to investigate the wetting behavior of borophene. Our findings reveal that the borophene surface exhibits hydrophobic characteristics, demonstrating anisotropic wettability. Specifically, the water contact angle was calculated to be 149.11° along the zigzag direction and 148.4° along the armchair direction. The contour map of the interaction energy between a water molecule and the borophene surface revealed a notable energy barrier in the zigzag direction. This barrier contributes to the asymmetric spreading of the water droplet on the surface. Density profiles and radial pair distribution function (RDF) diagrams of the water droplet on the borophene surface further corroborated the hydrophobic nature of borophene by indicating a significant distance between the water droplet and the surface. Moreover, analysis of the number of hydrogen bonds demonstrated that borophene efficiently utilizes nearly all its capacity to form hydrogen bonds. Additionally, we compared the wettability of borophene with that of other two-dimensional materials, such as various graphene allotropes and phosphorene, which have been subjects of recent investigation.

The effect of temperature on the electrical characteristics of zigzag and armchair black phosphorus based 2D MOSFET

Abstract A first time comparative study of the thermal dependence of vital electrical characteristics of 2D MOSFETs based on black phosphorus for both zigzag and armchair orientations is presented in this paper. It is seen that a higher in-plane thermal conductivity in zigzag direction results in a much better on state current performance which comes at the cost of orders of magnitude increase in gate leakage and a reduced on to off state current ratio. The effect of temperature on threshold voltage (VTH), short channel effects like drain induced barrier lowering (DIBL), subthreshold swing (SS), Schottky barrier height ΦSB and transconductance behavior in both zigzag and armchair orientations is thoroughly discussed and the inherent physical mechanisms resulting the variations are also presented. Though increase in temperature is found to deteriorate the SS and drain conductance but at the same time, it is found to improve the short channel performance of the devices under consideration.

Theoretical prediction of chalcogen-based Janus monolayers for self-powered optoelectronic devices

Exploring potential two-dimensional monolayers with large photogalvanic effect (PGE) has been of great importance for developing self-powered optoelectronic devices. In this paper, we systematically investigate the generation of PGE photocurrent in chalcogen-based Janus XYZ monolayers (X/Y/Z = S, Se, Te; X ≠ Y ≠ Z) based on non-equilibrium Green's function formalism with density functional theory. The optimized Janus SSeTe, SeSTe, and TeSeS monolayers in the rectangular phase are shown stable and, respectively, possess 1.54, 1.49, and 1.74 eV indirect bandgaps. Illuminated by linearly polarized light, the PGE photocurrent without bias voltage can be collected in both armchair and zigzag directions. Unlike common Janus 2D materials with C3v symmetry, the photocurrent peak values of Janus XYZ monolayers do not come up with certain polarization angles, while the relations can be fitted by Iph = α sin(2θ) + β cos(2θ) + γ at each photon energy. Meanwhile, the maximum photoresponses of Janus SSeTe, SeSTe, and TeSeS monolayers are 2.02, 3.33, and 4.42 a20/photon, respectively. The relatively large PGE photocurrents and complicated polarization relations result from the lower symmetry of Janus XYZ monolayers. Moreover, the specific polarization angles for maximum photoresponses at each photon energy and the ratio between two transport directions are demonstrated, reflecting the anisotropy. Our results theoretically predict a potential Janus monolayer family for self-powered optoelectronic applications.