MoS2 Surface Research Articles

Solution Processed NiO/MoS2 Heterostructure Nanocomposite for Supercapacitor Electrode Application

Metal oxide and metal dichalcogenide heterostructure composites are promising candidates for electrochemical use. In this study, a hybrid heterostructure composite electrode material was made using a straightforward hydrothermal process using transition metal oxide (NiO) and metal dichalcogenide (MoS2). The surface of the flower-like structured MoS2 was grown with granular structured NiO, and this heterostructure composite exhibited considerably improved specific capacitance when compared to the pure NiO and MoS2 materials. The pseudocapacitive performance was effectively supported by the heterostructure combination of transition metal oxide (TMOs) and metal dichalcogenide (MDC), which greatly improved ion transport within the material and storage. At a current density of 1 A/g, the prepared heterostructure composite electrode material exhibited a specific capacitance of 289 F/g, and, after 2000 cycles, the capacitance retained 101% of its initial value. The symmetric device was constructed and put through tests using LED light. This finding opens up a new avenue for the quickly increasing the field of heterostructure materials.

The exfoliation of bulk MoS2 by a three-roller mill for high-performance potassium ion batteries

Due to the large radius and the high diffusion barrier, it is difficult to perform a large-scale application without finding suitable anodic materials. In this work, the MoS2@C nanosheets are obtained by a three-roller grinder. With this technology, the bulk MoS2 can be thinned to form a nanosheet structure, and the phenolic resin attached to the MoS2 surface can form a carbon layer after carbonization to ultimately obtain MoS2@C. As the anode for potassium ion batteries (KIBs), the MoS2@C electrode shows a highly reversible discharge capacity of 382 mAh/g at 0.1 A/g after 50 cycles. This efficient preparation method opens a new path for 2D nanocomposites with the high-performance K+ storage applications.

Effect of Different Solvents on Morphology and Gas-Sensitive Properties of Grinding-Assisted Liquid-Phase-Exfoliated MoS2 Nanosheets.

Grinding-assisted liquid-phase exfoliation is a widely used method for the preparation of two-dimensional nanomaterials. In this study, N-methylpyrrolidone and acetonitrile, two common grinding solvents, were used during the liquid-phase exfoliation for the preparation of MoS2 nanosheets. The morphology and structure of MoS2 nanosheets were analyzed via scanning electron microscopy, X-ray diffraction, and Raman spectroscopy. The effects of grinding solvents on the gas-sensing performance of the MoS2 nanosheets were investigated for the first time. The results show that the sensitivities of MoS2 nanosheet exfoliation with N-methylpyrrolidone were 2.4-, 1.4-, 1.9-, and 2.7-fold higher than exfoliation with acetonitrile in the presence of formaldehyde, acetone, and ethanol and 98% relative humidity, respectively. MoS2 nanosheet exfoliation with N-methylpyrrolidone also has fast response and recovery characteristics to 50-1000 ppm of CH2O. Accordingly, although N-methylpyrrolidone cannot be removed completely from the surface of MoS2, it has good gas sensitivity compared with other samples. Therefore, N-methylpyrrolidone is preferred for the preparation of gas-sensitive MoS2 nanosheets in grinding-assisted liquid-phase exfoliation. The results provide an experimental basis for the preparation of two-dimensional materials and their application in gas sensors.

Mathematical modelling of angle dependent polarization raman spectroscopy of molybdenum disulfide before and after adding strain agent

Molybdenum disulphide (MoS2) is a layered 2D semiconductor material with a tunable optical bandgap. Its optoelectrical properties make it a good choice for use in 2D devices, such as single-photon emitters. In this study, we investigated the properties of thin layers of MoS2 deposited on a silicon (Si) substrate. MoS2 flakes were passivated and transferred to a particular spot on the substrate by employing a dry mechanical technique. With the assumption that incorporating nematic liquid crystal 5CB on the surface of MoS2 can produce a reconfigurable strain (such as compressive or tensile), then investigating whether 5CB will respond differently or even in the same way with planar aligned molecules. To create a single photon emitter from a 5CB nematic liquid crystal, physical defects in MoS2 must be introduced. The atomic thickness and structural properties of the transferred flake were determined using Raman Spectroscopy. 5CB has increased the angle dependence of A1g and E2g mode in polyvinyl alcohol planar cells. 5CB nematic liquid altered the optical properties of MoS2 and produced compressive strain inside the lattice structure. Our theoretically anticipated model fits the experimental data with reasonable precision.

Label-Free Sensing of Biomolecular Adsorption and Desorption Dynamics by Interfacial Second Harmonic Generation.

Observing interfacial molecular adsorption and desorption dynamics in a label-free manner is fundamentally important for understanding spatiotemporal transports of matter and energy across interfaces. Here, we report a label-free real-time sensing technique utilizing strong optical second harmonic generation of monolayer 2D semiconductors. BSA molecule adsorption and desorption dynamics on the surface of monolayer MoS2 in liquid environments have been all-optically observed through time-resolved second harmonic generation (SHG) measurements. The proposed SHG detection scheme is not only interface specific but also expected to be widely applicable, which, in principle, undertakes a nanometer-scale spatial resolution across interfaces.

MoS2 nanosheets embedded in α-FeOOH as an efficient cathode for enhanced MFC-electro-Fenton performance in wastewater treatment

Microbial fuel cell-electro-Fenton system (MEF) has attracted attention due to refractory organic pollutants removal, where H2O2 is in-situ produced without external energy supply. Enhancement of H2O2 production and the activation of H2O2 to ·OH are the keys to improve degradation performance. Development of bifunctional catalytic cathode is a viable strategy. Herein, the α-FeOOH/MoS2 nanocomposites was fabricated by a novel facile hydrothermal method based on molybdenite-exfoliated MoS2 nanosheets suspension, which was used as modified cathode in a MEF system. The obtained α-FeOOH/1 wt%MoS2 cathode exhibited highest power density of 292.38 mW/m2, which was about 3.7 and 1.7 times higher than that of graphite plate and α-FeOOH, respectively. Doping of MoS2 nanosheets significantly enhanced electrocatalytic activity of the cathode and promoted in-situ H2O2 generation. Meanwhile, the exposed reductive Mo4+ on the surface of MoS2 could greatly facilitate the conversion cycle of Fe(III)/Fe(II), leading to the efficient activation of H2O2 into ·OH. The MEF with α-FeOOH/1 wt%MoS2 cathode exhibited excellent degradation and mineralization performance for MB, rhodamine B and tetracycline hydrochloride at optimized reaction condition. Furthermore, the MEF can simultaneously achieve MB oxidation and Cr(VI) reduction, and the corresponding removal ratio can reach up to 91.45% and 100%, respectively. Based on simple preparation method as well as recyclability and excellent catalytic property, the α-FeOOH/MoS2 composite catalyst is considered as a promising MEF cathode for efficient wastewater treatment.

Tailoring Interfacial Charge Transfer of Epitaxially Grown Ir Clusters for Boosting Hydrogen Oxidation Reaction

AbstractThe sluggish kinetics of hydrogen oxidation reaction (HOR) is one of the critical challenges for anion exchange membrane fuel cells. Here, we report epitaxial growth of Ir nanoclusters (<2 nm) on a MoS2 surface (Ir/MoS2) and optimize the alkaline HOR activity via tailoring interfacial charge transfer between Ir clusters and MoS2. The electron transfer from MoS2 to Ir clusters can effectively prevent the oxidation of Ir clusters, which is not the case for carbon‐supported Ir nanoclusters (Ir/C) synthesized using the same method. Moreover, the HOR performance of the Ir/MoS2 can be further optimized by tuning the hydrogen binding energy (HBE) via a precise annealing treatment. A substantial exchange current density of 1.28 mA cmECSA−2 is achieved in the alkaline medium, which is ∼10 times over that of Ir/C. The HOR mass‐specific activity of Ir/MoS2 heterostructure is as high as 182 mA mgIr−1. The experimental results and density functional theory calculations reveal that the significant improved HOR activity is attributed to the decreased HBE, which highlights epitaxial growth is an effective way for boosting catalytic activity of heterostructured catalysts.

Tune the photoresponse of monolayer MoS2 by decorating CsPbBr3 perovskite nanoparticles

Tuning the photoresponse of monolayer MoS2 could extend its potential application in many fields, however, it is still a challenge. In this study, CsPbBr3 nanoparticles were prepared and spin-coated on the surface of monolayer MoS2 to fabricate hybrid CsPbBr3/MoS2 photodetectors. By combing the photoelectrical property of the CsPbBr3, the synergistic effect has been systematically studied from its carrier mobility, photoresponse and detectivity. It was found that nanofilm-coating of CsPbBr3 would impede the photoelectric performance due to the electron-hole recombination facilitated by the defects at the interface of CsPbBr3 and MoS2 films. While the nanoparticles decorating was observed to significantly improve the conductivity of the monolayer MoS2, which also increased the on/off ratio of the MoS2 transistor from 8.2 × 103 to 4.4 × 104, and enhanced the carrier mobility from 0.090 cm2 V−1 s−1 to 0.202 cm2 V−1 s−1, ascribing to a mixed electron recombination-injection process. Furthermore, the CsPbBr3 nanofilm would decrease the responsivity to 136 and 178 A/W under the light wavelength of 400 and 500 nm, respectively, while decorating CsPbBr3 nanoparticles improve the photoresponse to 948 and 883 A/W with the detectivity at the level of 1011 Jones. This work may provide an easy and cost-efficient way to tune the photoresponse of MoS2 photodetectors.

Assessment of two-dimensional materials on the biological membrane permeability of Epirubicin anti-cancer drug

Since the applications of graphene (GNS) and Molybdenum disulfide (MoS2) in biomedicine are limited due to low intrinsic solubility in aqueous media, non-covalently modification of the surface of graphene and MoS2 by polymers is known as a strategy to increase solubility and biocompatibility. Hence, we are applied molecular dynamics (MD) simulations to evaluated drug carrier efficiency of GNS and MoS2 for loading of Epirubicin (EPIR) drug in the presence of Poly(N-isopropyl acrylamide) (PNIPAM) polymer. The dominance of the hydrophobic force between drug and nanosheets especially during the interaction of EPIR molecules with MoS2 is found. Changing degree of polymerization from two monomers to ten monomers leads to increasing the hydrophobic interaction of PNIPAM with two-dimensional materials which is associated with a progressive decrease of the hydrophobic interaction of EPIR-GNS/EPIR-MoS2. The delivery of Epirubicin loaded on GNS/MoS2 in the absence and presence of PNIPAM molecules across membrane is also investigated. After entering of MoS2 loaded by EPIR drugs in the presence and absence of PNIPAM molecules into the center of bilayer, the mechanical damage of the membrane is observed. Whereas, the ability of GNS to interact with lipid molecules of membrane is weak and only some lipids extract from the membrane.

Oxidation and hydrogenation of monolayer MoS2 with compositing agent under environmental exposure: The ReaxFF Mo/Ti/Au/O/S/H force field development and applications

An atomistic modeling tool is essential to an in-depth understanding upon surface reactions of transition metal dichalcogenides (TMDs), such as molybdenum disulfide (MoS2), with the presence of compositing agents, including Ti and Au, under different environmental exposures. We report a new ReaxFF reactive force field parameter set for Mo, Ti, Au, O, S, and H interactions. We apply the force field in a series of molecular dynamics (MD) simulations to unravel the impact of the Ti dopant on the oxidation/hydrogenation behaviors of MoS2 surface. The simulation results reveal that, in the absence of Ti clusters, the MoS2 surface is ruptured and oxidized at elevated temperatures through a process of adsorption followed by dissociation of the O2 molecules on the MoS2 surface during the temperature ramp. When the MoS2 surface is exposed to H2O molecules, surface hydrogenation is most favored, followed by oxidation, then hydroxylation. The introduction of Ti clusters to the systems mitigates the oxidation/hydrogenation of MoS2 at a low or intermediate temperature by capturing the O2/H2O molecules and locking the O/H-related radicals inside the clusters. However, OH− and H3O+ are emitted from the Ti clusters in the H2O environment as temperature rises, and the accelerating hydrogenation of MoS2 is consequently observed at an ultra-high temperature. These findings indicate an important but complex role of Ti dopants in mitigating the oxidation and hydrogenation of MoS2 under different environmental exposures. The possible mechanisms of oxidation and hydrogenation revealed by MD simulations can give an insight to the design of oxidation resistant TMDs and can be useful to the optical, electronic, magnetic, catalytic, and energy harvesting industries.

High-efficiency destruction of aromatic VOC mixtures in a MoS2 cocatalytic Fe3+/PMS reaction

Advanced oxidation processes (AOPs) has been intensively applied for the treatment of single VOCs but rarely for that of mixture in a wet scrubber system. However, a multitude of VOCs are present simultaneously in industries. This work first studied the degradation of a typical toxic aromatic VOC (AVOC, chlorobenzene, styrene, toluene) mixture in a MoS2 cocatalytic Fe3+/PMS (peroxymonosulfate) reaction. Extensive HO, SO4- and O2- from the efficient activation of PMS and molecular O2 cooperated well in the simultaneous removal of multiple AVOCs. The degradation of AVOCs in the mixture was significantly affected by the existence of different pollutants. For example, the toluene removal efficiency was 91 % and 74 % in the presence of styrene and chlorobenzene, respectively. Compared with that in the single-pollutant system, chlorobenzene degradation in the presence of toluene was more complex due to the generation of dichlorobenzene and toluene via an e-aq-mediated reaction. The diverse molecular structure, adsorption behavior and ring-opening process of AVOCs on the MoS2 (001) surface accounted for their different degradation performances. Molecular O2 was involved in AVOC mixture degradation and significantly shortened their degradation pathways due to the generation of more reactive benzaldehyde and benzoquinone. The total hazard index (HI) of the purified waste gas was 5.06 × 10-1 and within the safe range for human health. This study is expected to drive great advances in the simultaneous degradation of VOCs mixture by AOPs.

Atomically engineered molybdenum di-sulfide by dual heteroatom doping for accelerating hydrogen evolution reaction on cadmium sulfide nanorods

Two-dimensional transition metal dichalcogenides (TMDs) with layered nanostructures show promise as non-precious, noble-metal-free water splitting/hydrogen evolution substances. In TMDs, catalytic activity depends on exposed edges because basal planes are inactive. Changing basal planes into catalytically active sites is a challenge. Doping MoS2 with transition metals renders the surfaces of its basal planes catalytically active. Herein, we attempt to activate in-plane surface of MoS2 by doping transition metals (Fe and Co) into the crystal structure, which induces the in-plane sites for catalytic processes, and this doped MoS2 adorned to the CdS nanorods. Incorporating heteroatoms aids in the acceleration of catalytic kinetics, as the obtained activity is comparable to that of single metal doped MoS2/CdS. A remarkable hydrogen production rate of 350 mol h−1 and a 58-fold times improvement observed in optimal FeCo–MoS2 loaded CdS nanocomposite compared to that of pure CdS. This enhancement is due to the synergistic of the hetero atom doped MoS2, which enables for the efficient separation of the photogenerated charge carriers and elevates the surface shuttling characteristics for effective hydrogen production. Greater number of edge sites, increased charge carrier transport, and the introduction of new active sites are all responsible for this remarkable photocatalytic activity. For spatial separation and transportation, these concurrent principles can change physiochemical properties including active sites, surface area, band-edge potentials, and electrical conductivity. To the best of our knowledge, the current catalytic system outperforms all other MoS2 based CdS hybrids that have been reported thus far.

THz Broadband Absorber Based on MoS2 with Split Rings and Archimedean Spiral Structures

The MoS2 surface plasmon resonance structure is proposed as a THz absorber in this work. The absorber adopts a double layer structure of Archimedean spirals stacked with split rings. In 1.2–3.0 THz, the absorption is greater than 92%, and the relative absorption bandwidth reached the value of 85.7%. Due to the circular-like symmetry of the unit, the polarization of the absorber is less sensitive to the incident angle within a certain range. When the incident angle is within 60°, the absorption in the bandwidth is still greater than 85%. The design efficiency is also significantly improved by the combined method of the equivalent circuit and finite difference time domain. Our work provides new directions for the design of terahertz devices, which is of great importance for various fields including terahertz imaging, detection and sensing, and especially in 6G communication systems.

Encapsulate lithium sulfide cathodes with carbon-doped MoS2 for fast kinetics in lithium-sulfur batteries, a theoretical study

Li2S-based lithium-sulfur batteries represent a novel potential energy-storage device with high energy-density and superior safety. Metal sulfide surface coating has been regarded as an effective way to improve electrical and dynamic properties of Li2S cathode. We predict that encapsulate Li2S with MoS2 is a potential cathode material that outperforms Li2S@graphene in some aspects. The poor conductivity of MoS2 can be alleviated by doping carbon atoms, which also serve as the catalytic sites to catalyze the activation of Li2S. The doped C atoms in MoS2 surface greatly enhance the Li2S binding strength via the formation of S−C bonds, a pz-pz interaction that is not available in pristine MoS2. Such strong interaction facilitates the decomposition of adsorbed Li2S, thus lowering the activation voltage in the first charge cycle. Although increase the number of C atoms catalyze the decomposition of Li2S, the compact distribution and collective C atoms may hinder the diffusion of Li ion by forming an electrostatic potential well, split lithium polysulfides (LiPSs) by excessively strong S−C interaction, and raise the rate determining step free energy of the S8 to Li2S conversion during discharge process, thus a balance between them is required. Single carbon atom doped MoS2 model balances these factors and shows an excellent electrochemical performance, including improved conductivity, enhanced LiPSs affinity, lowered Li2S decomposition barrier, facilitated Li ion diffusion and fast kinetics of the conversion of LiPSs. This work is instructive in fabricating Li2S cathode with metal sulfides and doping architectures for practical Li-S batteries.

Synergetic effect of cobalt phosphide cocatalyst modified molybdenum disulfide for boosting photocatalytic performance

BackgroundMolybdenum disulfide (MoS2) has received extensive attention in environmental remediation due to its unique two-dimensional lamellar structure and high specific area. To further improve the photocatalytic performance of MoS2, supported co-catalysts have been proven to be one of the effective modification measures. MethodsThe composite photocatalyst CoP/MoS2 was prepared by a facile self-assembly method. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) confirmed the successful loading of CoP onto the MoS2 surface. The UV-vis results showed that the MoS2 modified by CoP had enhanced absorption capacity for visible light. The photoelectric performance test showed that the synergistic effect of CoP and MoS2 promoted the charge transfer between them and reduced the charge recombination rate. Significant findingsThe CoP/MoS2 composite photocatalyst exhibits a high degradation rate under visible light irradiation. The degradation rate of MBT can reach 97.2% within 80 min, which is 1.6 times that of the original MoS2 photocatalyst. This is mainly due to the efficient charge separation and synergistic effect of CoP and MoS2. The possible decomposition intermediates, photocatalytic pathways and mechanisms are also proposed. This work provides a valuable strategy for developing other semiconductors as co-catalysts to modify MoS2 for efficient photocatalytic applications.

Observation of H2 Evolution and Electrolyte Diffusion on MoS2 Monolayer by In Situ Liquid-Phase Transmission Electron Microscopy.

Unit-cell-thick MoS2 is a promising electrocatalyst for the hydrogen evolution reaction (HER) owing to its tunable catalytic activity, which is determined based on the energetics and molecular interactions of different types of HER active sites. Kinetic responses of MoS2 active sites, including the reaction onset, diffusion of the electrolyte and H2 bubbles, and continuation of these processes, are important factors affecting the catalytic activity of MoS2 . Investigating these factors requires a direct real-time analysis of the HER occurring on spatially independent active sites. Herein, the H2 evolution and electrolyte diffusion on the surface of MoS2 are observed in real time by in situ electrochemical liquid-phase transmission electron microscopy (LPTEM). Time-dependent LPTEM observations reveal that different types of active sites are sequentially activated under the same conditions. Furthermore, the electrolyte flow to these sites is influenced by the reduction potential and site geometry, which affects the bubble detachment and overall HER activity of MoS2 .

Theoretical study on water gas shift mechanism on MoS2 supported single transition metal M (M=Co, Ni, Cu) catalysts

In this paper, a two-dimensional M/MoS2 material system was constructed by supporting transition metal atoms M (M=Co, Ni, Cu) on the surface of MoS2. The structural properties, molecular adsorption and the reaction mechanism for water gas shift reaction (WGSR) were investigated based on DFT calculation. Compared with pristine MoS2, doping transition metal can make M/MoS2 more stable because the charge transfer between metal and MoS2 increases the polarization of Mo and S. The adsorption performance is significantly improved, which is conducive to the forward progress of the reaction. The band gap of materials is narrowed, which motivates MoS2 transforms to metal phase. The supporting metal can increase the charge transfer and the number of active sites in the system, which can effectively reduce the reaction energy barrier of WGS and improve the catalytic activity. The most potential WGSR mechanism of the three materials is the association mechanism, in which the HCOO* intermediate plays the leading role.

Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS2: An Ab-Initio Study.

Using structural relaxation calculations and first-principles molecular dynamics (FPMD), we performed numerical simulations to explore the interaction of a 2D MoS2 surface and a platinum atom, calculating the optical properties of the resulting material. We explored three initial positions for the interaction of the Pt atom and the pristine MoS2 surface, plus another position between Pt and the MoS2 surface with a sulfur vacancy VS. The surface absorbed the Pt atom in all cases considered, with absorption energies ranging from −2.77 eV to −5.83 eV. We calculated the optical properties and band structure of the two cases with the largest absorption energies (−3.45 eV and −5.83 eV). The pristine MoS2 is a semiconductor with a gap of around 1.80 eV. With the adsorption of the Pt atom (the −3.45 eV case), the material reduces its band gap to 0.95 eV. Additionally, the optical absorption in the visible range is greatly increased. The energy band structure of the 2D MoS2 with a sulfur vacancy VS shows a band gap of 0.74 eV, with consequent changes in its optical properties. After the adsorption of Pt atoms in the VS vacancy, the material has a band gap of 1.06 eV. In this case, the optical absorption in the visible range increases by about eight times. The reflectivity in the infrared range gets roughly doubled for both situations of the Pt-absorbed atom considered. Finally, we performed two FPMD runs at 300 K to test the stability of the cases with the lowest and highest absorption energies observed, confirming the qualitative results obtained with the structural relaxations.

A Solid–Liquid Composite Lubricating “Nano‐Snowboard” for Long‐Acting Treatment of Osteoarthritis

AbstractOsteoarthritis is a chronic inflammatory disease characterized by cartilage degeneration. Anti‐inflammatory therapy has limited effects, and effective reduction of cartilage wear through lubrication is essential. In vivo stability and lubricity of commercial lubricants are insufficient, leading to failure of lubricating treatment and progression of osteoarthritis. To address these issues, new therapeutic methods combining anti‐inflammation and stable high‐performance lubrication are developed. Inspired by the sliding mechanism of snowboards, a “nano‐snowboard” by modifying molybdenum disulfide (MoS2) with a biomimetic phospholipid polymer poly (dopamine methacrylamide‐co‐2‐methacryloyloxyethyl phosphorylcholine) (PDMPC) and loading anti‐inflammatory drug diclofenac sodium (DS), namely MoS2‐PDMPC‐DS, has been synthesized. MoS2 with a 2D layered structure and photothermal properties, serves as solid lubricant and drug carrier. Meanwhile, the modification of PDMPC on the surface of MOS2 avoids the oxidative denaturation of MoS2 in a physiological environment, forming solid–liquid composite lubrication and improving the lubricity and stability of MoS2 in the joint cavity. In vitro and in vivo experiments show that MoS2‐PDMPC‐DS can stay in the joint cavity for more than one week and exert long‐lasting lubrication and anti‐inflammatory effects to treat osteoarthritis effectively. This solid–liquid composite lubricating nano‐snowboard provides a new idea for synergistic anti‐inflammatory and lubricating treatment of osteoarthritis.

Sulfur Vacancies‐Triggered High SERS Activity of Molybdenum Disulfide for Ultrasensitive Detection of Trace Diclofenac

AbstractDue to the efficient photoinduced charge transfer properties of nonmetals, nonmetallic surface‐enhanced Raman scattering (SERS) substrates have been advanced rapidly these years. And among of these, molybdenum disulfide (MoS2) is perceived as one of the most representative nonmetallic SERS substrates due to its abundant active sites. However, its progress in SERS field is severely hindered because of the lower SERS activity. Herein, one type of vacancies‐triggered highly sensitive SERS substrate based on nanostructured MoS2 with sulfur vacancies (VS) is proposed. The VS‐MoS2 substrates are intended to promote the SERS performance through the VS density regulation. Intrinsically, moderate VS can change the bandgap structure of MoS2, thus promoting the separation of internal carriers and enhancing the interaction with target species. Externally, the presence of VS can bring abundant adsorption sites on MoS2 surface, which greatly improves its ability to enrich target molecules. Both internal and external properties make VS‐MoS2 a high SERS activity substrate. Moreover, with the antibiotic contaminant diclofenac as a model probe molecule, the VS‐MoS2 substrate can accurately perceive its nanomolar concentration level with an enhancement factor up to 5.85 × 103. This work demonstrates exciting potential for analysis in real water environments based on nonmetallic SERS applications.