2D MoS2 Research Articles

Photovoltaic induced self-powered gas sensor based on 2D MoS2 incorporated NbSe2 nanorods heterostructure for NH3 gas sensing at room temperature

Two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted significant attention for their optical and gas-sensing applications due to their exceptional sensitivity. Reliable selectivity and low power consumption are two major requirements for photodetector and gas sensor applications in next-generation electronic devices and the Internet of Things. Self-powered sensors (especially photovoltaic gas sensors) can solve these problems. In this study, for the first time, we report 2D TMDs (NbSe2-MoS2 hybrid) on a SiO2/Si substrate to fabricate photovoltaic self-powered gas sensors. The gas sensors are operated by the photovoltaic effect of the NbSe2-MoS2 nanostructure, which is prepared using the liquid phase exfoliation process. Initially, it was revealed that the present hybrid material exhibits photovoltaic properties under light illumination, with a circuit current of 0.25 µA and a circuit voltage of 34 mV. The NbSe2-MoS2 nanostructure characteristics were then used for NH3 gas sensing at different concentrations, and the gas sensing response was detected from low (8.8 % at 10 ppm) to high (28.8 % at 500 ppm) concentrations. The built-in electric field occurred between the NbSe2-MoS2 junction and eventually operated as a driving force for NbSe2-MoS2 gas sensing without an external bias voltage. The physisorption of gas molecules on their surface prompts a charge-transfer mechanism that improves the gas sensor response. The combined outcome of NbSe2-MoS2 heterostructures could pave way to next-generation gas sensing device fabrications.

2D MoS2 nanosheets supported CoFe2O4 nanoparticles mediated persulfate activation for antibiotic removal

Advanced oxidation technology based on persulfate activation has caused extensive concern in the field of wastewater treatment. Nevertheless, this new technology is limited to the low catalytic efficiency and poor recovery of powder catalysts. Herein, we successfully synthesized MoS2 surface-supported CoFe2O4 nanoparticles composite catalyst employing a simple hydrothermal method. Compared with other systems, the performance of TC degradation was significantly improved by CoFe2O4/MoS2/PS system. Additionally, the influence of solution pH, catalyst dosage, PS dosage, and co-existing ions on the degradation process were studied. Both free radical (O2•−, •OH, SO4•−) and non-free radical (1O2) pathways coexisted in the catalytic degradation of TC on the account of radicals quenching experiments and electron spin resonance (ESR) technique. Additionally, the degradation pollutants were confirmed to display obvious decrease in toxicity based on microbial toxicology tests. Besides, CoFe2O4/MoS2 nanocomposite displays good magnetic recovery performance due to the introduction of CoFe2O4. In summary, this research provides a solid foundation for the application of magnetic CoFe2O4/MoS2 nanocomposite in the treatment of antibiotic wastewater.

MoS2-based polarization-sensitive photodetectors with asymmetric plasmonic structures and decreased detection time

This study analyzes the response time and sensitivity of photosensors that use 2D MoS2 semiconductor films with a high concentration of defects resulting from technological process sequences. In the developed photosensors, we introduce asymmetric plasmonic gratings providing their sensitivity enhancement as well as light polarization sensitivity. The photodetectors, as initially fabricated, exhibit an exceptionally long response time, surpassing a duration of a thousand seconds. This prolonged response time significantly impedes the practical application of these detectors. Nevertheless, the implementation of a specifically designed algorithm enables a dramatic reduction in detection time, by several orders of magnitude in comparison to the response time. It is based on a mathematical model that accounts for the dynamic features of these devices. Our study demonstrates that photodetectors, when enhanced with asymmetric plasmonic gratings, exhibit significantly improved performance metrics. These include a photosensitivity of approximately 60 mA/W and a degree of linear polarization at 0.78. Furthermore, the implementation of our proposed algorithm, which optimizes the calculation of detection time, dramatically reduces the characteristic detection time from over a thousand seconds to just around 10 s.

Tunable lattice thermal conductivity of 2D MoSe2 via biaxial strain: a comparative study between the monolayer and bilayer

Tunable lattice thermal conductivity of 2D MoSe2 via biaxial strain: a comparative study between the monolayer and bilayer

2D MoS2 monolayers integration with metal oxide-based artificial synapses

In this study, we report on a memristive device structure wherein monolayers of two-dimensional (2D) molybdenum disulfide (MoS2) are integrated with an ultrathin yttrium oxide (Y2O3) layer to simulate artificial synapses functionality. The proposed physical simulation methodology is implemented in COMSOL Multiphysics tool and is based on the minimization of free energy of the used materials at the applied input voltage. The simulated device exhibits a stable bipolar resistive switching and the switching voltages is significantly reduced by increasing the number of MoS2 layers, which is key to conventional low-power computing and neuromorphic applications. The device is shown to perform synaptic functionalities under various applied bias conditions. The resulting synaptic weight decreases almost linearly with the increasing number of MoS2 layers due to the increase in the device thickness. The simulation outcomes pave the way for the development of optimised metal oxide-based memristive devices through their integration with semiconducting 2D materials. Also, the 2D MoS2 integration can enable the optoelectronic operation of this memory device.

From Light to Dark: Dancing with Electrons in Colloidal 2D MoS2 Nanosheets.

Extending the lifetime of photogenerated electrons in semiconductor systems is an important criterion for the conversion of light into storable energy. We have now succeeded in storing electrons in a photoirradiated colloidal molybdenum disulfide (MoS2) suspension, showcasing its unique reversible photoresponsive behavior. The dampened A and B excitonic peaks indicate the accumulation of photogenerated electrons and the minimization of interactions between MoS2 interlayers. The stored electrons were quantitatively extracted by titrating with a ferrocenium ion in the dark, giving ca. 0.2 electrons per MoS2 formula unit. The emergence of the photoinduced A1g* Raman mode and the decrease in zeta potential after irradiation suggest intercalation of counterions to maintain overall charge balance upon electron storage. These results provide insights into the mechanism of photogenerated electron storage in 2D materials and pave the way for the potential application of colloidal 2D materials in electron storage.

The effect of photodissociation of confined water on photoemission behaviors of monolayer MoS2

The effects of confined water on the photoluminescence of 2D MoS2 depending on the type of isotope, substrate, and surface termination were investigated. The monolayer MoS2 film showed quenched photoluminescence intensity when exposed to water, whereas it was not observed upon exposure to heavy water. This result is attributed to the overtone vibrational energy transfer between 2D MoS2 and water. Furthermore, the investigation of the photoluminescence in 2D MoS2 depending on the surface characteristics indicated that it can be controlled by the adsorbed water on the substrate. Real-time photoluminescence measurements revealed that the two types of adsorbed water affected the variation in the optical properties and that the orientation of the adsorbed water was also significant for reverting to the intrinsic 2D MoS2 by catalytic photodissociation process through exciton-to-vibronic transfer, facilitated in a confined space. Our results indicate that the substrate surface is crucial for controlling the adsorbed water formed during wet-transfer process. Therefore, this study is effective for applications that utilize large-scale two-dimensional materials.

Trifluoromethylation of 2D Transition Metal Dichalcogenides: A Mild Functionalization and Tunable p‐Type Doping Method

AbstractChemical modification is a powerful strategy for tuning the electronic properties of 2D semiconductors. Here we report the electrophilic trifluoromethylation of 2D WSe2 and MoS2 under mild conditions using the reagent trifluoromethyl thianthrenium triflate (TTT). Chemical characterization and density functional theory calculations reveal that the trifluoromethyl groups bind covalently to surface chalcogen atoms as well as oxygen substitution sites. Trifluoromethylation induces p‐type doping in the underlying 2D material, enabling the modulation of charge transport and optical emission properties in WSe2. This work introduces a versatile and efficient method for tailoring the optical and electronic properties of 2D transition metal dichalcogenides.

Trifluoromethylation of 2D Transition Metal Dichalcogenides: A Mild Functionalization and Tunable p-Type Doping Method.

Chemical modification is a powerful strategy for tuning the electronic properties of 2D semiconductors. Here we report the electrophilic trifluoromethylation of 2D WSe2 and MoS2 under mild conditions using the reagent trifluoromethyl thianthrenium triflate (TTT). Chemical characterization and density functional theory calculations reveal that the trifluoromethyl groups bind covalently to surface chalcogen atoms as well as oxygen substitution sites. Trifluoromethylation induces p-type doping in the underlying 2D material, enabling the modulation of charge transport and optical emission properties in WSe2. This work introduces a versatile and efficient method for tailoring the optical and electronic properties of 2D transition metal dichalcogenides.

Epitaxial Growth of GaN Films on Chemical-Vapor-Deposited 2D MoS2 Layers by Plasma-Assisted Molecular Beam Epitaxy.

The van der Waals epitaxy of wafer-scale GaN on 2D MoS2 and the integration of GaN/MoS2 heterostructures were investigated in this report. GaN films have been successfully grown on 2D MoS2 layers using three different Ga fluxes via a plasma-assisted molecular beam epitaxy (PA-MBE) system. The substrate for the growth was a few-layer 2D MoS2 deposited on sapphire using chemical vapor deposition (CVD). Three different Ga fluxes were provided by the gallium source of the K-cell at temperatures of 825, 875, and 925 °C, respectively. After the growth, RHEED, HR-XRD, and TEM were conducted to study the crystal structure of GaN films. The surface morphology was obtained using FE-SEM and AFM. Chemical composition was confirmed by XPS and EDS. Raman and PL spectra were carried out to investigate the optical properties of GaN films. According to the characterizations of GaN films, the van der Waals epitaxial growth mechanism of GaN films changed from 3D to 2D with the increase in Ga flux, provided by higher temperatures of the K-cell. GaN films grown at 750 °C for 3 h with a K-cell temperature of 925 °C demonstrated the greatest crystal quality, chemical composition, and optical properties. The heterostructure of 3D GaN on 2D MoS2 was integrated successfully using the low-temperature PA-MBE technique, which could be applied to novel electronics and optoelectronics.

Effect of lattice defects on electronic structure and thermoelectric properties of 2D monolayer MoS2

Molybdenum disulfide (MoS2) is considered as a promising economical and non-toxic thermoelectric material due to its low thermal conductivity and high Seebeck coefficient. However, its power factor is not ideal, which limits its energy conversion efficiency in thermoelectric applications. In this paper, the electronic structure of pure and lattice-defect MoS2 2D monolayer is studied by using the first principles method and non-equilibrium Green's function (DFT-NEGF). The effects of atom substitution and vacancy defect on the thermoelectric properties of MoS2 2D monolayer are also investigated. The result shows that the S-vacancy changes the bandgap by introducing donor and acceptor levels, while the substitution of Se and Te atoms slightly increases the bandgap value. In the case of n-type doping, the ZT value of the S atom substituted MoS2 reaches 1.19 at 300 K, while the Te atom substitution MoS2 has a higher ZT value of almost 2.26 at 800 K. The analysis shows that the thermal conductivity of MoS2 decreases due to the presence of S-vacancy, while the atomic substitution of Se and Te increases the power factor of MoS2. This work may provide a new method and theoretical guidance for achieving high performance of thermoelectric devices in the energy industry.

Scalable molten salt strategy synthesis of large-size 2D MoS2(1-x)Se2x alloy for boosting potassium-ion storage performance

Owing to the lamellar structure and large theoretical specific capacity, transition metal dichalcogenides (TMDs) are promising anodes for potassium ion batteries (KIBs). However, the development and application of TMDs are greatly confined by the inferior conductivity and structure integrity. Herein, a two-dimensional (2D) MoS2(1-x)Se2x ternary alloy supported by carbon nanosheets (MoS2(1-x)Se2x/C) is designed to boost their electrochemical performance in KIBs. Owing to the unique 2D structure, the assistance of carbon, as well as the synergistic effect of S and Se, the MoS2(1-x)Se2x/C gets many obvious merits as: abundant K+ diffusion path, enhanced structure stability and improved conductivity. Thus, our designed MoS2(1-x)Se2x/C obtains the high reversible capacity (279.93 mAh/g at 0.2 A/g), excellent rate performance and long-cycling capability for KIBs. Even cycling for 500 times at the high current density of 1 A/g, a large reversible capacity of 257.94 mAh/g is kept. Moreover, the energy storage mechanisms of MoS2(1-x)Se2x during potassiation and depotassiation process are revealed. Our work provides a new insight into the modification of TMDs anode for potassium ion batteries.

Engineering surface state density of monolayer CVD grown 2D MoS2 for enhanced photodetector performance.

This study demonstrates the effect of nitrogen doping on the surface state densities (Nss) of monolayer MoS2 and its effect on the responsivity and the response time of the photodetector. Our experimental results shows that by doping monolayer MoS2 by nitrogen, the surface state (Nss) increases thereby increasing responsivity. The mathematical model included in the paper supports the relation of photocurrent gain and its dependency on trap level which states that the increasing the trap density increases the photocurrent gain and the same is observed experimentally. The experimental results at room temperature revealed that nitrogen doped MoS2 have a high NSS of 1.63 X 1013 states/m2/eV compared to undoped MoS2 of 4.2 x 1012 states/m2/eV. The increase in Nss in turn is the cause for rise in trap states which eventually increases the value of photo responsivity from 65.12 A/W (undoped MoS2) to 606.3 A/W (nitrogen doped MoS2). The response time calculated for undoped MoS2 was 0.85 sec and for doped MoS2 was 0.35 sec. Finally, to verify the dependence of surface states on the responsivity, the surface states were varied by varying temperature and it was observed that upon increment in temperature, the surface states decreases which causes the responsivity values also to decrease.

Thickness-dependent electronic relaxation dynamics in solution-phase redox-exfoliated MoS2 heterostructures.

Electronic relaxation dynamics of solution-phase redox-exfoliated molybdenum disulfide (MoS2) monolayer and multilayer ensembles are described. MoS2 was exfoliated using polyoxometalate (POM) reductants. This process yields a colloidal heterostructure consisting of MoS2 2D sheet multilayers with surface-bound POM complexes. Using two-dimensional electronic spectroscopy, transient bleaching and photoinduced absorption signals were detected at excitation/detection energies of 1.82/1.87 and 1.82/1.80eV, respectively. Approximate 100-fs bandgap renormalization (BGR) and subsequent defect- and phonon-mediated relaxation on the picosecond timescale were resolved for several MoS2 thicknesses spanning from 1 to 2 L to ∼20 L. BGR rates were independent of sample thickness and slightly slower than observations for chemical vapor deposition-grown MoS2 monolayers. However, defect-mediated relaxation accelerated ∼10-fold with increased sample thicknesses. The relaxation rates increased from 0.33 ± 0.05 to 1.2 ± 0.1 and 3.1 ± 0.4ps-1 for 1-2 L, 3-4 L, and 20 L fractions. The thicknesses-dependent relaxation rates for POM-MoS2 heterostructures were modeled using a saturating exponential function that showed saturation at thirteen MoS2 layers. The results suggest that the increased POM surface coverage leads to larger defect density in the POM-MoS2 heterostructure. These are the first descriptions of the influence of sample thickness on electronic relaxation rates in solution-phase redox-exfoliated POM-MoS2 heterostructures. Outcomes of this work are expected to impact the development of solution-phase exfoliation of 2D metal-chalcogenide heterostructures.

Mixed-Dimensional van der Waals Heterostructure (2D ReS2/0D MoS2 Quantum Dots)-Based Broad Spectral Range with Ultrahigh-Responsive Photodetector.

The remarkable properties of two-dimensional (2D) materials have led to significant advancements in photodetection and optoelectronics research. Currently, there are many successful methods that are employed to improve the responsivity of photodetectors, but the limited spectral range of the device remains a limitation. This work demonstrates the development of a mixed-dimensional (2D/0D) hybrid photodetector device fabricated using chemical vapor deposition (CVD)-grown monolayer ReS2 and solution-processed MoS2 quantum dots (QDs). The mixed dimensionality of 2D (ReS2) and zero-dimensional (0D) MoS2 QDs assist in improving the spectral range of the device [ultraviolet (360 nm) to near-infrared (780 nm)]. Further, due to the work function difference between ReS2 and MoS2 QDs, the built-in electric field across the mixed-dimensional interface promotes effective charge separation and migration, resulting in improved responsivities of the device. The calculated responsivities of the fabricated photodetector are 5.4 × 102, 3.3 × 102, and 2.6 × 102 A/W when subjected to visible, UV, and NIR light illumination, which is remarkable when compared to the existing reports on broadband photodetection. The mixed-dimensionality heterostructure coupled with contact engineering paves the way for highly responsive broadband photodetectors for potential applications in security, healthcare, etc.

Tuning the electrocatalytic activity of MoS2 nanosheets via the in situ hybridization with ruthenium and graphene network

The quest for highly efficient, stable, and non-precious electrocatalysts as alternatives to Pt in the hydrogen evolution reaction (HER) at ambient temperature is paramount. Two-dimensional (2D) layered transition metal dichalcogenides (TMDs), notably MoS2, have emerged as promising noble-metal-free candidates. However, MoS2′s limited active edge sites and sluggish electron transfer kinetics present challenges in achieving efficient HER activity under both acidic and basic conditions. In this study, we introduce a composite catalyst composed of 2D MoS2 nanosheets enveloped by graphene networks, with uniform dispersion of ruthenium (Ru) nanoparticles within the extended 2D structure. This ternary hybrid catalyst exhibits excellent catalytic activity, with a low onset overpotential of 60 mV at 10 mA cm−2, a small Tafel slope of 38 mV dec-1, and remarkable durability during continuous 10-hour operation at 100 mV potential in 1.0 M KOH, without substantial activity loss. The conductive graphene support effectively prevents the restacking of exfoliated MoS2 nanosheets, enhancing mass transport and charge transfer kinetics. Ru incorporation induces the partial phase transformation of MoS2 from its trigonal (2H) to octahedral (1 T) phase, concurrently generating sulfur vacancies. The induced phase transformation not only activates the inert basal planes of MoS2 but also reduces the energy barrier for the adsorption/desorption of H* intermediates. Beyond the structural advantages, the intrinsic synergistic effects, primarily related to electronic structure modulation and defect engineering, contribute significantly to the enhanced electrochemical HER performance. In summary, this study not only introduces an efficient, cost-effective alternative to Pt-based electrocatalysts but also lays the foundation for designing other TMD-based hybrid catalysts, characterized by abundant exposed active sites and reduced barriers for hydrogen binding energy, thereby advancing electrochemical hydrogen production.

Resonant Raman Scattering Study of Strain and Defects in Chemical Vapor Deposition Grown MoS2 Monolayers.

The development of bottom-up synthesis routes for semiconducting transition metal dichalcogenides (TMDs) and the assessment of their defects are of paramount importance to achieve their applications. TMD monolayers grown by chemical vapor deposition (CVD) can be subjected to significant strain and, here, Raman and photoluminescence spectroscopies are combined to characterize strain in over one hundred MoS2 monolayer samples grown by CVD. The frequency changes of phonons as a function of strain are analyzed, and used to extract the Grüneisen parameter of both zone-center and edge phonons. Additionally, the intensity of the defect-induced longitudinal acoustic (LA) and transverse acoustic(TA) Raman bands are discussed in relation to strain and electronic doping. The experimental mode-Grüneisen parameters obtained are compared with those calculated by density functional theory (DFT), to better characterize the type of strain and its resulting effects on Grüneisen parameters. The findings indicate that the use of Raman spectra to determine defect densities in 2D MoS2 must be always conducted considering strain effects. To the best of the authors' knowledge, this work constitutes the first report on double resonance Raman processes studied as a function of strain in 2D-MoS2. The new approach to obtain the Grüneisen parameter from zone-edge phonons in MoS2 can also be extended to other 2D semiconducting TMDs.

Activating 2D MoS2 by loading 2D Cu–S nanoplatelets for improved visible light photocatalytic hydrogen evolution, drug degradation, and CO2 reduction

Finding reliable photocatalysts capable of driving reactions using only sunlight is more needed than ever. A variety of strategies to harvest sunlight and convert it into chemical energy have been successfully utilized such as synthesizing nanostructures, using metal nanoparticles, doping, and others. In this work, we discover a facile way to anchor CuS nanoplatelets on 2D MoS2 by the solvothermal method using ethylene glycol (EG) as both a reduction agent and an exfoliating agent of bulk MoS2. Using CuS as a co-catalysis on MoS2 with their huge surface areas, led to improved photocatalytic activity for three different applications including H2 evolution, CO2 reduction, and endosulfan degradation. Specifically, Cu–S@MoS2 3% nanocomposite produced 9.86 μmol g−1 h−1 of H2, 0.48 μmol g−1 h−1 of CO and full decomposition of endosulfan within 6 h. The Cu-loaded MoS2 nanocomposites were thoroughly characterized by spectroscopic (including synchrotron-based spectroscopy) and microscopic methods to understand the formation of Cu–S during the solvothermal process. Moreover, the role of the EG during the synthetic procedure was revealed experimentally and studied theoretically via DFT simulations.

NaCl-assisted chemical vapor deposition growth of MoSe2 and MoSe2/h-BN heterostructure

As a typical two-dimensional (2D) transition metal dichalcogenides (TMDCs), MoSe2 has attracted lots of interest due to its electronic and optical properties in recent years. The controllable synthesis of 2D MoSe2 and its heterostructure is of considerable importance for achieving diverse applications. Herein, we realized the controlled growth of MoSe2 by atmospheric pressure chemical vapor deposition (APCVD) method through using NaCl as the promoter. Raman and photoluminescence (PL) spectroscopy have been used to investigate the optical properties of MoSe2 domains with different layers. The dependence of structures on synthetic parameter is systematically investigated by tuning the growth conditions. On this basis, the monolayer MoSe2 was constructed on CVD-grown hexagonal boron nitride (h-BN) by an all-CVD approach. Detailed characterizations indicate that MoSe2 deposited on h-BN exhibits improved optical properties as compared to those on SiO2/Si. Our results could enrich the understanding for growth of TMDCs, advocating further investigation of their intrinsic properties and a variety of device applications.

Facile construction of MoS2 decorated CdS hybrid heterojunction with enhanced hydrogen generation performance

Promoting the charge separation to improve photocatalytic performance of semiconductor photocatalysts is very important in the field of artificial photosynthesis. Here, a novel MoS2/CdS 2D–2D ultrathin nanosheet heterostructure was fabricated via a one-pot solvothermal route. The obtained 2D–2D MoS2/CdS nanojunction has not only provided large contact areas, but also shortened the charge transport distance, resulting in significantly enhanced photocatalytic H2 evolution property. The composites that were synthesized were examined using X-ray diffraction (XRD), Field emission scanning electron microscope (FESEM), Transmission electron microscope (TEM), UV-vis diffuse reflectance spectra (DRS), Photoluminescence (PL) and X-ray photoelectron spectra (XPS) analysis. By optimizing the 2D MoS2 amounts in the heterojunction, the 5 wt.% 2D/2D MoS2/CdS heterojunction displayed the maximal photocatalytic H2 evolution rate of 4449 μmolh−1g−1 under visible light irradiation in the presence of lactic acid as the sacrificial reagent, which was 6 times higher than that of pristine 2D CdS. Based on the photoelectrochemical and photoluminescence spectra tests, it could be deduced that the charge separation and transfer of 2D/2D MoS2/CdS heterojunction was tremendously improved, and the recombination of photoinduced electron-hole pairs was effectively impeded. Moreover, the 2D MoS2 was used as a cocatalyst to provide the abundant active sites and lower the overpotential for H2 generation reaction. The current work would offer an insight to fabricate the 2D/2D heterojunction photocatalysts for splitting H2O into H2.