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Construction of flower-like MoS2/Ag2S/Ag Z-scheme photocatalysts with enhanced visible-light photocatalytic activity for water purification
摘要： Flower-like MoS2/Ag2S/Ag nanocomposites have been elaborately designed and synthesized successfully for the first time. The prepared MoS2/Ag2S/Ag nanocomposites as a novel photocatalysts present effective photocatalytic performance for the photodegradation of congo red (CR), tetracycline hydrochloride (TC-HCl) and disinfection for Pseudomonas aeruginosa (P. aeruginosa). For the photodegradation of TC-HCl, the effect of the pH of the initial solution and photocatalysts dosage was investigated. Furthermore, intermediates of TC-HCl degradation were verified by GC–MS analysis and the possible pathway of the photodegradation was also proposed. The electron paramagnetic resonance (EPR) technique and trapping experiments verified the electron transport path is Z-scheme system (PS-C-PS). Among them, Ag as an electron mediator enhanced the electron transmission rate and accelerated the separation efficiency of photogenerated carriers.
关键词： MoS2/Ag2S/Ag,Photocatalytic,Tetracycline hydrochloride,Water disinfection,Z-scheme
更新于2025-09-23 15:23:52
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Topology and polarity of dislocation cores dictate the mechanical strength of monolayer MoS2
摘要： In contrast to homoelemental graphene showing common dislocation dipole with pentagon-heptagon (5|7) core, heteroelemental MoS2 is observed to contain diverse dislocation cores that tune the chemical and physical properties. Yet, how the inevitable dislocation cores in MoS2 affect the mechanical behaviours remains virtually unexplored. Herein, we report direct atomistic simulations of mechanical characteristics of isolated dislocation-embedded MoS2 monolayers under tensile load. All isolated dislocation cores in MoS2 monolayer rise polar stress-concentration, while those with larger Burgers vector are less energetically-favorable configurations but show local wrinkling behaviour. It is revealed that the intrinsic tensile strength of MoS2 is dictated by topology and polarity of dislocation cores. There is a strong inverse correlation between the maximum residual stresses induced by the dislocation cores and the strength of MoS2 monolayers. Mechanical failure initiates from the bond at dislocation polygon on which side there is a missing atomic chain. Armchair-oriented 4|8 dislocation exhibits sole brittle failure, however, dual brittle/ductile fractures occur in zigzag-oriented dislocations; Mo-S-Mo angle-oriented crack is brittle, while the S-Mo-S angle-oriented crack becomes ductile. Our findings shed sights on mechanical design of heteroelemental 2D materials via dislocation engineering for practical application.
关键词： Mechanical strength,Fracture characteristics,Monolayer MoS2,Molecular dynamics simulations,Dislocation cores
更新于2025-09-23 15:23:52
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Optical thickness identification of few-layer MoS <sub/>2</sub> deposited by chemical vapor deposition
摘要： The physical and optoelectronic properties of MoS2 are closely related to their thickness. Few-layer molybdenum disulfide (MoS2) has been intensively studied for its potential applications. In this work, monolayer and few-layer MoS2 nanosheets with large size and high crystallization quality were successfully prepared by chemical vapor deposition (CVD). Then, the layer number of CVD-grown MoS2 nanosheets were identified for the first time by extracting the R channel contrast of the optical image of the sample with ImageJ software. Compared with Raman spectra and PL spectra, this method can identify the layer number of CVD-grown MoS2 nanosheets efficiently and accurately, which provides a simple and feasible method for the study of the layer number of CVD-grown MoS2 nanosheets and can help us exploiting their applications in the future.
关键词： Thickness identification,chemical vapor deposition,MoS2,optical microscopy,Raman spectroscopy
更新于2025-09-23 15:23:52
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Facile strategy for controllable synthesis of hierarchical hollow MoS2 microspheres with enhanced photocatalytic properties
摘要： Tailored design of photocatalysts with complicated hollow structures is of great importance for promoting environmental remediation. In this paper, monodispersed hierarchical hollow MoS2 microspheres have been prepared via a facile and economical hydrothermal method with the assistance of surfactant (polyethylene-polypropylene glycol (F68)). The unusual design displays three important features: large specific surface area, strong light absorption, and rich catalytic active sites. The specific surface area of the hierarchical hollow MoS2 microspheres is 21.75 m2g-1, which is higher than that of MoS2 particles (4.05 m2g-1) and commercial MoS2 (2.84 m2g-1). Meanwhile, the hierarchical hollow MoS2 microspheres possess strong light absorption around a broadband wavelength from 200 nm to 800 nm. Furthermore, the ordered MoS2 nanosheets which assemble to the outer surface of the hierarchical hollow MoS2 microspheres display rich catalytic active sites, which are beneficial in promoting the fast transport of charge carriers during the process of photocatalytic reaction. As a result, the photodegradation activity test demonstrates that the hierarchical hollow MoS2 microspheres exhibit excellent photocatalytic activity and recycling stability. The reaction rate constant of the hierarchical hollow MoS2 microspheres for the photodegradation of RhB is 25.32 and 18.18 times faster than that of MoS2 particles and commercial MoS2, respectively.
关键词： Unusual design,Photocatalysts,MoS2,Rich catalytic sites,Large surface area,Broadband absorption
更新于2025-09-23 15:23:52
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Dual-responsive molybdenum disulfide/copper sulfide-based delivery systems for enhanced chemo-photothermal therapy
摘要： Molybdenum disul?de (MoS2)-based drug delivery systems have shown considerable potential in cancer nanomedicines. In this work, a multifunctional nanoplatform comprising MoS2 nanosheets decorated with copper sul?de (CuS) and further functionalized with polyethylene glycol (PEG) is reported. The resultant material has a particle size of approximately 115 nm, and can be loaded with doxorubicin (DOX) to a loading capacity of 162.3 mg DOX per g of carrier. Drug release is triggered by two stimuli (near infrared (NIR) irradiation and pH), and the carrier is shown to have excellent colloidal stability. The presence of both MoS2 and CuS leads to very high photothermal conversion ef?ciency (higher than with MoS2 alone). In vitro experiments revealed that the blank CuS-MoS2-SH-PEG carrier is biocompatible, but that the synergistic application of chemo-photothermal therapy (in the form of CuS-MoS2-SH-PEG loaded with DOX and NIR irradiation) led to greater cell death than either chemotherapy (CuS-MoS2-SH-PEG(DOX) but no NIR) or photothermal therapy (CuS-MoS2-SH-PEG with NIR). A cellular uptake study demonstrated that the nanoplatform can ef?ciently enter tumor cells, and that uptake is enhanced when NIR is applied. Overall, the functionalized MoS2 material developed in this work exhibits great potential as an ef?cient system for dual responsive drug delivery and synergistic chemo-photothermal therapy. The route employed in our work thus provides a strategy to enhance photothermal ef?cacy for transition metal dichalcogenide drug delivery systems.
关键词： Chemotherapy,Drug delivery,MoS2,Photothermal therapy,Synergistic therapy
更新于2025-09-23 15:23:52
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TiO2/MoS2 heterojunctions-decorated carbon fibers with broad-spectrum response as weaveable photocatalyst/photoelectrode
摘要： The development of efficient and recyclable photocatalysts with wide spectrum response has drawn much attention. Herein, we prepared TiO2/MoS2 heterostructures on carbon fibers (CFs) by a two-step hydrothermal method. CFs/TiO2/MoS2 exhibits a strong and wide absorption spectrum from ultraviolet to near-infrared region (> 1200 nm). Under the irradiation of visible-light, CFs/TiO2/MoS2 could degrade 97.6% Rhodamine B (RhB) after 100 min, 94.2% Acid Orange 7 (AO7) or 93.4% tetracycline hydrochloride (TC) after 60 min, and 88.7% 4-chlorophenol (4-CP) after 180 min. Moreover, CFs/TiO2/MoS2 bundles can be further weaved into a cloth (area: 4 × 4 cm2). CFs/TiO2/MoS2 cloth as a working electrode exhibits significant photocurrent (7.53 × 10?6 A/cm2) and enhanced photoelectrocatalytic efficiency (100% TC) comparing with only photocatalysis (90.7% TC) or electrocatalysis (47% TC). In particular, CFs/TiO2/MoS2 cloth shows excellent stability. Therefore, CFs/TiO2/MoS2 cloth has great potential to be used as flexible and weaveable photocatalyst/photoelectrode for degrading various pollutants.
关键词： Photoelectrocatalysis,Photocatalyst,Carbon fibers,Visible-light,TiO2/MoS2
更新于2025-09-23 15:23:52
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MoS <sub/>2</sub> thin films from a (N <i> <sup>t</sup></i> Bu) <sub/>2</sub> (NMe <sub/>2</sub> ) <sub/>2</sub> Mo and 1-propanethiol atomic layer deposition process
摘要： Potential commercial applications for transition metal dichalcogenide (TMD) semiconductors such as MoS2 rely on unique material properties that are only accessible at monolayer to few-layer thickness regimes. Therefore, production methods that lend themselves to the scalable and controllable formation of TMD films on surfaces are desirable for high volume manufacturing of devices based on these materials. The authors have developed a new thermal atomic layer deposition process using bis(tert-butylimido)-bis(dimethylamido)molybdenum and 1-propanethiol to produce MoS2-containing amorphous films. They observe a self-limiting reaction behavior with respect to both the Mo and S precursors at a substrate temperature of 350 °C. Film thickness scales linearly with precursor cycling, with growth per cycle values of ≈0.1 nm/cycle. As-deposited films are smooth and contain nitrogen and carbon impurities attributed to poor ligand elimination from the Mo source. Upon high-temperature annealing, a large portion of the impurities are removed, and the authors obtain few-layer crystalline 2H-MoS2 films.
关键词： atomic layer deposition,MoS2,thin films,transition metal dichalcogenides,annealing,precursors
更新于2025-09-23 15:23:52
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Suppression of Electrochemically Driven Phase Transition in Nanostructured MoS2 Pseudocapacitors Probed Using Operando X-ray Diffraction
摘要： Pseudocapacitors with non-diffusion-limited charge storage mechanisms allow for fast kinetics that exceed conventional battery materials. It has been demonstrated that nanostructuring conventional battery materials can induce pseudocapacitive behavior. In our previous study, we found that assemblies of metallic 1T MoS2 nanocrystals show faster charge storage compared to the bulk material. Quantitative electrochemistry demonstrated that the current response is capacitive. In this work, we perform a series of operando X-ray diffraction studies upon electrochemical cycling to show that the high capacitive response of metallic 1T MoS2 nanocrystals is due to suppression of the standard first-order phase transition. In bulk MoS2, a phase transition between 1T and triclinic phases (LixMoS2) is observed during lithiation and delithiation in both the galvanostatic traces (as distinctive plateaus) and the X-ray diffraction patterns with the appearance of the additional peaks. MoS2 nanocrystal assemblies, on the other hand, show none of these features. We hypothesize that the reduced MoS2 crystallite size suppresses the first-order phase transition and gives rise to solid solution-like behavior, potentially due to the unfavorable formation of nucleation sites in confined space. Overall, we find that nanostructuring MoS2 suppresses the 1T-Triclinc phase transition and shortens Li-ion diffusion path lengths, allowing MoS2 nanocrystal assemblies to behave as nearly ideal pseudocapacitors.
关键词： intercalation pseudocapacitor,pseudocapacitance,MoS2,phase transition suppression,porous electrodes,nanocrystal assemblies,fast charging
更新于2025-09-23 15:23:52
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Probing interlayer excitons in a vertical van der Waals p-n junction using scanning probe microscopy technique
摘要： Two dimensional (2D) semiconductors feature exceptional optoelectronic properties controlled by strong confinement in one dimension. In this contribution, we studied interlayer excitons in a vertical p-n junction made of bilayer n-type MoS2 and few layers of p-type GaSe using current sensing atomic force microscopy (CSAFM). The p-n interface is prepared by mechanical exfoliation onto highly ordered pyrolytic graphite (HOPG). Thus the heterostructure creates an ideal layered system with HOPG serving as the bottom contact for the electrical characterization. Home-built Au tips are used as the top contact in CSAFM mode. During the basic diode characterization, the p-n interface shows strong rectification behavior with a rectification ratio of 104 at ±1 V. The I-V characteristics reveal pronounced photovoltaic effects with a fill factor of 0.55 by an excitation below the band gap. This phenomenon can be explained by the dissociation of interlayer excitons at the interface. The possibility of the interlayer exciton formation is indicated by density functional theory (DFT) calculations on this heterostructure: the valence band of GaSe and the conduction band of MoS2 contribute to an interface-specific state at an energy of about 1.5 eV. The proof of excitonic transitions to that state is provided by photoluminescence measurements at the p-n interface. Finally, photocurrent mapping at the interface under an excitation wavelength of 785 nm provides evidence of efficient extraction of such excitons. Our results demonstrate a pathway towards a two dimensional device for future optoelectronics and light harvesting assisted by interlayer excitons in a van der Waals heterostructure.
关键词： optoelectronics,van der Waals heterojunction,GaSe,density functional theory,MoS2,interlayer exciton,p-n junction
更新于2025-09-23 15:23:52
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Adsorption of hazardous gases in nuclear islands on monolayer MoS2 sheet
摘要： Monitoring and removing the hazardous gases (such as radioactive gases and hydrogen) in the nuclear islands are full with enormous challenges, although the two methods can improve the safety level of the nuclear power plant. Due to its excellent electronic and chemical properties, two dimensional materials are considered as the candidate for monitoring and removing the hazardous gases in the nuclear islands. In this paper, the adsorption of the hazardous gases on monolayer MoS2 sheet was investigated by using the first principles calculation method. The adsorption energy, total charge transfer, and density of states (DOS) were calculated to understand the adsorption mechanism and sensing performance of the monolayer MoS2 sheet to the hazardous gases. The results show that an attractive interaction exists between the hazardous gases and the monolayer MoS2 sheet. The magnitude of the adsorption energy demonstrates that physisorption dominates the adsorption of the hazardous gas molecules on the monolayer MoS2 sheet, but the adsorption of the dissociated H/I atom belongs to chemisorption. The DOS shows that the orbitals, H 1s and I 5p, play a crucial role in the adsorption, and the change of the electronic structure indicates that the monolayer MoS2 sheet might be a promising material which is used for monitoring the gaseous radioactive iodine in the nuclear islands.
关键词： Hydrogen,Hazardous gases,Radioactive gases,First principles calculation,Monolayer MoS2 sheet
更新于2025-09-23 15:23:52