Optically probing the interaction between monolayer MoS<Subscript>2</Subscript> and single-wall carbon nanotube

Owing to outstandingly tunable optoelectronic properties, hybrid materials consisting of atomic scale thickness of two dimensional (2D) transition metal dichalcogenides (TMDs) and one dimensional (1D) nanowires have been attracting steady interests over the last several years. In this research for the first time we report optically probing the interaction between monolayer MoS₂ and single-wall carbon nanotube (SWCNT). By using Raman and photoluminescence measurements, we found the charge transfer between MoS₂ and SWCNT is sensitive to the intensity of light field. We also demonstrate that SWCNT acts as p-type dopants at physical contact with monolayer MoS₂. Our study gives new insight into the interaction between monolayer MoS₂ and SWCNT, which may allow new phenomena and ideas for novel low dimensional hybrid materials.     

Electronic and optical properties of single-layer MoS<Subscript>2</Subscript>

The electronic structures of a MoS₂ monolayer are investigated with the all-electron first principle calculations based on the density functional theory (DFT) and the spin-orbital couplings (SOCs). Our results show that the monolayer MoS₂ is a direct band gap semiconductor with a band gap of 1.8 eV. The SOCs and d-electrons in Mo play a very significant role in deciding its electronic and optical properties. Moreover, electronic elementary excitations are studied theoretically within the diagrammatic self-consistent field theory. Under random phase approximation, it shows that two branches of plasmon modes can be achieved via the conduction-band transitions due to the SOCs, which are different from the plasmons in a two-dimensional electron gas and graphene owing to the quasi-linear energy dispersion in single-layer MoS₂. Moreover, the strong optical absorption up to 10⁵ cm^-1 and two optical absorption edges I and II can be observed. This study is relevant to the applications of monolayer MoS₂ as an advanced photoelectronic device.     

The effect of carrier gas flow rate on the growth of MoS<Subscript>2</Subscript> nanoflakes prepared by thermal chemical vapor deposition

Molybdenum disulfide nanoflakes (MoS₂) are superior material for their semiconducting properties. For bulk and monolayer MoS₂ the band gap changes from indirect-to-direct, respectively. So, it exhibits promising prospects in the applications of optoelectronics and valleytronics, such as solar cells, transistors, photodetectors, etc. In this research, the influence of different Ar flow rates as the carrier gas, is investigated for growing MoS₂ nanoflakes on silicon substrates using one-step thermal chemical vapor deposition by simultaneously evaporating of solid sources like sulfur and molybdenum trioxide powders. The structural and optical properties of the obtained nanoflakes are assessed by using X-ray diffraction pattern, scanning electron microscopy, UV–visible absorption, photoluminescence and Raman spectroscopy. It is shown that, Ar gas flow rate is strongly affects on the final products as few-layer MoS₂ structures. Moreover, the abundance of MoS₂ in comparison to MoO₂ and MoO₃ structures, in the obtained nanoflakes, is influenced by the Ar flow rate.     

Recent progress in the electrolytes for improving the cycling stability of LiNi<Subscript>0.5</Subscript>Mn<Subscript>1.5</Subscript>O<Subscript>4</Subscript> high-voltage cathode

High-voltage spinel LiNi_0.5Mn_1.5O₄ has been considered one of the most promising cathode materials for lithium-ion power batteries used in electrical vehicles (EVs) or hybrid electrical vehicles (HEVs) because the high voltage plateau at around 4.7 V makes its energy density (658 Wh kg^?1) 30 and 25 % higher than that of conventional pristine spinel LiMn₂O₄ (440 Wh kg^?1) or olivine LiFePO₄ (500 Wh kg^?1) materials, respectively. Unfortunately, LiNi_0.5Mn_1.5O₄-based batteries with LiPF₆-based carbonate electrolytes always suffer from severe capacity deterioration and poor thermostability because of the oxidization of organic carbonate solvents and decomposition of LiPF₆, especially at elevated temperatures and water-containing environment. The major goal of this review is to highlight the recent advancements in the development of advanced electrolytes for improving the cycling stability and rate capacity of LiNi_0.5Mn_1.5O₄-based batteries. Finally, an insight into the future research and further development of advanced electrolytes for LiNi_0.5Mn_1.5O₄-based batteries is discussed.     

From layers to nanotubes: Transition metal disulfides TMS<Subscript>2</Subscript>

MoS₂ and WS₂ layered transition-metal dichalcogenides are indirect band gap semiconductors in their bulk forms. Thinned to a monolayer, they undergo a transition and become direct band gap materials. Layered structures of that kind can be folded to form nanotubes. We present here the electronic structure comparison between bulk, monolayered and tubular forms of transition metal disulfides using first-principle calculations. Our results show that armchair nanotubes remain indirect gap semiconductors, similar to the bulk system, while the zigzag nanotubes, like monolayers, are direct gap materials, what suggests interesting potential applications in optoelectronics.     

Photodeposition of ultrathin MoS<Subscript>2</Subscript> nanosheets onto cubic CdS for efficient photocatalytic H<Subscript>2</Subscript> evolution

In this work, the photocatalyst composed of ultrathin MoS₂ nanosheets onto the surface of cubic CdS nanoparticles with an average diameter of 7~10 nm has been successfully fabricated through a facile and mild photodeposition route. The ultrathin MoS₂ nanosheets as a cocatalyst were demonstrated to greatly boost photocatalytic H₂ evolution over cubic CdS upon visible light irradiation. It was clearly revealed that both the cubic CdS substrate and structure of ultrathin MoS₂ nanosheets play critical roles in the observed efficient H₂ evolution. The cubic CdS offers a strong adherence for ultrathin MoS₂ nanosheets to form a well contact interface, across which the photogenerated charge transfer and charge separation are achieved. The ultrathin MoS₂ nanosheets introduce a high density of unsaturated active S atoms for H₂ evolution.     

Surface Plasmon Polaritons in MoS<Subscript>2</Subscript> Nanostructures

The surface plasmon polaritons (SPPs) in monolayer MoS₂ nanostructures are theoretically investigated in detail. Our study shows that the strong SPPs are induced in gigahertz (GHz) frequency range. The frequencies of SPPs are very sensitive on the substrates in the nanostructures. Moreover, the frequency of such SPPs can be controlled by varying the electron densities. Our study can be applied to understand the recent experimental results and is relevant to the applications of plasmonic nano-devices based on MoS₂.     

Alkali-metal-embedded in monolayer MoS<Subscript>2</Subscript>: optical properties and work functions

Embedding alkali-metal in monolayer MoS₂ has been investigated by using first principles with density functional theory. The calculation of the electronic and optical properties indicates that alkali-metal was embedded in monolayer MoS₂ appearing almost metallic behavior, and the MoS₂ layer shows clear p-type doping behavior. The covalent bonding appears between the alkali-metal atoms and defective MoS₂. More importantly, embedding alkali-metal can increase the work function for monolayer MoS₂. Furthermore, the absorption spectrum of monolayer MoS₂ is red shifted because of alkali metal embedding. Accordingly, this study will provide the theoretical basis for producing the alkali-metal-doped monolayer MoS₂ radiation shielding and photoelectric devices.     

Generation of MoS<Subscript>2</Subscript> quantum dots by laser ablation of MoS<Subscript>2</Subscript> particles in suspension and their photocatalytic activity for H<Subscript>2</Subscript> generation

MoS₂ quantum dots (QDs) have been obtained in colloidal suspensions by 532 nm laser ablation (7 ns fwhp/pulse, 50 mJ/pulse) of commercial MoS₂ particles in acetonitrile. High-resolution transmission electron microscopy images show a lateral size distribution from 5 to 20 nm, but a more homogeneous particle size of 20 nm can be obtained by silica gel chromatography purification in acetonitrile. MoS₂ QDs obtained by laser ablation are constituted by 3–6 MoS₂ layers (1.8–4 nm thickness) and exhibit photoluminescence whose λ_PL varies from 430 to 530 nm depending on the excitation wavelength. As predicted by theory, the confinement effect and the larger periphery in MoS₂ QDs increasing the bandgap and having catalytically active edges are reflected in an enhancement of the photocatalytic activity for H₂ generation upon UV–Vis irradiation using CH₃OH as sacrificial electron donor due to the increase in the reduction potential of conduction band electrons and the electron transfer kinetics.     

A primary exploration to quasi-two-dimensional rare-earth ferromagnetic particles: holmium-doped MoS<Subscript>2</Subscript> sheet as room-temperature magnetic semiconductor

Recently, two-dimensional materials and nanoparticles with robust ferromagnetism are even of great interest to explore basic physics in nanoscale spintronics. More importantly, room-temperature magnetic semiconducting materials with high Curie temperature is essential for developing next-generation spintronic and quantum computing devices. Here, we develop a theoretical model on the basis of density functional theory calculations and the Ruderman-Kittel-Kasuya-Yoshida theory to predict the thermal stability of two-dimensional magnetic materials. Compared with other rare-earth (dysprosium (Dy) and erbium (Er)) and 3d (copper (Cu)) impurities, holmium-doped (Ho-doped) single-layer 1H-MoS₂ is proposed as promising semiconductor with robust magnetism. The calculations at the level of hybrid HSE06 functional predict a Curie temperature much higher than room temperature. Ho-doped MoS₂ sheet possesses fully spin-polarized valence and conduction bands, which is a prerequisite for flexible spintronic applications.     

Enhanced lithium-ion storage and hydrogen evolution reaction catalysis of MoS<Subscript>2</Subscript>/graphene nanoribbons hybrids with loose interlaced three-dimension structure

Molybdenum disulfide hybridized with graphene nanoribbon (MoS₂/GNR) was prepared by mild method. MoS₂/GNR hybrids interlace loosely into a three-dimension structure. GNR hybridization can improve the dispersity of MoS₂, reduce the grain size of MoS₂ to 3–6 nm, increase the specific surface area, and broaden the interlamellar spacing of MoS₂ (002) plane to 0.67–0.73 nm, which facilitates the transportation of Li⁺ ions for lithium-ion battery. MoS₂/GNR hybrids have better cyclic durability, higher specific discharge capacity, and superior rate performance than MoS₂. The electrocatalytic activity in hydrogen evolution reaction shows that MoS₂/GNR hybrids have the lower overpotential and the larger current density with a negligible current loss after 2000 cycles. Hybridizing with GNRs enhances both the lithium-ion electrochemical storage and the electrocatalytic activity of MoS₂.

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Graphical abstract MoS₂/GNR hybrid prepared by a mild method is interlaced loosely into a three-dimension structure. Superior electrochemical performances of MoS₂/GNR hybrids than MoS₂ have been highlighted for the potential application for long- term durability energy-storage devices and HER electrocatalytic materials.

     

MoO2@MoS2 Nanoarchitectures for High‐Loading Advanced Lithium‐Ion Battery Anodes

The capacity loading per unit area is of importance as specific capacity while evaluating the lithium‐ion battery anode. However, the low conductivity of several advanced anode materials (such as molybdenum sulfide, MoS₂) prohibits the wide application of materials. Nanostructural engineering becomes a key to overcome the obstacles. A one‐step in situ conversion reaction is employed to synthesize molybdenum oxide (MoO₂)–MoS₂ core–shell nanoarchitectures (MoO₂@MoS₂) by partially sulfiding MoO₂ into MoS₂ using sulfur. The MoO₂@MoS₂ displays a 3D architecture constructed by hundreds of MoS₂ ultrathin sheets with several layers arranged and fixed to an MoO₂ particle vertically with the size in the range of 200–500 nm. MoO₂ acts as the molybdenum source for the synthesis of MoS₂, as well as the conductive substrate. The designed 3D architectures with empty space between MoS₂ layers can prevent the damage originated from volume change of MoS₂ undergoing charge/discharge process. The lithium storage capacities of the MoO₂@MoS₂ 3D architectures are higher and the stability has been significantly improved compared to pure MoS₂. 4 mAh cm^?2 capacity loading of MoO₂@MoS₂ has been achieved with a specific capacity of more than 1000 mAh g^?1.     

Regular hexagonal MoS<Subscript>2</Subscript> microflakes grown from MoO<Subscript>3</Subscript> precursor

Regular hexagonal MoS₂ microflakes with high yield were grown from MoO₃ precursor by a sulfurization process using S powders as sulfuration reducer. The precursors, long and smooth MoO₃ microbelts, were synthesized through a direct oxidation reaction of Mo plates in air. X-ray powder diffraction and scanning electron microscopy revealed that the sulfurized products were hexagonal MoS₂ with regular hexagonal flake-like morphology. The results of transmission electron microscopy examinations demonstrated that the microflakes were single crystalline MoS₂. Elemental analysis by EDAX and XPS showed that the microflakes consist of Mo and S with the atomic ratio near to 0.5. Factors influencing the formation of the product were systematically studied. PACS 81.15.Gh; 81.15.Kk; 81.05.Hd; 78.67.Pt; 82.40.Ck     

High-efficiency preparation of oil-dispersible MoS<Subscript>2</Subscript> nanosheets with superior anti-wear property in ultralow concentration

Molybdenum disulfide (MoS₂) nanosheets are a promising lubricant additive for enhanced engine efficiency in cars. However, high-cost production methods and poor dispersion have limited their application in industry. In this study, the ball milling process is demonstrated as a low-cost and high-efficient method for fabrication of oil-dispersible MoS₂ nanosheet, and the ball milling parameters are optimized. Moreover, the lubrication effectiveness of ball-milled MoS₂ nanosheet was also evaluated. Results indicated that well-dispersed MoS₂ nanosheets with a size of 250 nm can be manufactured with optimized surfactants of zinc dialkyldithiphosphates (ZDDP) and polyisobutylene succinimide (PIBS) after being ball milled for 36 h. Tribological results revealed that a friction coefficient of white oil with 0.25% MoS₂ nanosheets reached 0.075, much lower than that of lubricant without nanosheets (0.16). The wear scar radius of 0.015% MoS₂ nanosheets was similar with that of Hertz contact, and the wear scar radius reduction reached 20% compared with that of 1% ZDDP. In addition, EDS and XPS results indicated the formation of a MoS₂ and FeS tribofilm on the wear surface.     

Flower-like MoS<Subscript>2</Subscript> supported on three-dimensional graphene aerogels as high-performance anode materials for sodium-ion batteries

Flower-like MoS₂ supported on three-dimensional graphene aerogel (MoS₂/GA) composite has been prepared by a facile hydrothermal method followed by subsequent heat-treatment process. Each of MoS₂ microflowers is surrounded by the three-dimensional graphene nanosheets. The MoS₂/GA composite is applied as an anode material of sodium-ion batteries (SIBs) and it exhibits high initial discharge/charge capacities of 562.7 and 460 mAh g^?1 at a current density of 0.1 A g^?1 and good cycling performance (348.6 mAh g^?1 after 30 cycles at 0.1 A g^?1). The good Na⁺ storage properties of the MoS₂/GA composite could be attributed to the unique structure which flower-like MoS₂ are homogeneously and tightly decorated on the surface of three-dimensional graphene aerogel. Our results demonstrate that as-prepared MoS₂/GA composite has a great potential prospect as anodes for SIBs.     

The interfacial properties of SrRuO<Subscript>3</Subscript>/MoS<Subscript>2</Subscript> heterojunction: a first-principles study

First-principles calculation was used to study the interfacial properties of theSrRuO₃ (1 1 1)/MoS₂(√3 × √3) heterojunction. It is found that the huge magneticmoments in of monolayer MoS₂ largely originate from the Ru-S hybridization for theRu-terminated interface. Moreover, for the SrO-terminated interface, we studied mainly themetal and semiconductor contact characteristic. The calculated results show that theSchottky barrier height can be significantly reduced to zero for the SrO-terminatedinterface. Schottky barrier heights dominate the transport behavior of theSrRuO₃/MoS₂ interface. Our results not only have potentialapplications in spintronics devices, but also are in favour of the scaling of field effecttransistors.     

二维辉钼材料及器件研究进展

经过几十年的发展, 集成电路的特征尺寸将在10–15年内达到其物理极限, 替代材料的研究迫在眉睫. 石墨烯曾被寄予厚望, 但由于其缺乏带隙限制了在数字电路领域的应用. 近年来, 单层及多层辉钼材料由于具有优异的半导体性能, 有可能超过石墨烯成为硅的替代者而引起了微纳电子领域的广泛关注. 本文对近二年国际上辉钼半导体器件研制、辉钼半导体材料的性能 表征及制备方法研究等方面的进展进行了综述, 并对大面积单层材料的研制提出了值得关注的方向. 关键词： 2')" href="#">MoS₂ 辉钼材料 纳米材料 集成电路     

Transport properties of MoS<Subscript>2</Subscript> nanoribbons: edge priority

We report about results from density functional based calculations on structural, electronic and transport properties of one-dimensional MoS₂ nanoribbons with different widths and passivation of their edges. The edge passivation influences the electronic and transport properties of the nanoribbons. This holds especially for nanoribbons with zigzag edges. Nearly independent from the passivation the armchair MoS₂ nanoribbons are semiconductors and their band gaps exhibit an almost constant value of 0.42 eV. Our results illustrate clearly the edge priority on the electronic properties of MoS₂ nanoribbons and indicate problems for doping of MoS₂ nanoribbons.     

Robust Fabrication of Quantum Dots on Few‐Layer MoS2 by Soft Hydrogen Plasma and Post‐Annealing

Apart from unique properties of layered transition‐metal dichalcogenide nanosheets like MoS₂, quantum dots (QDs) from these layered materials promise novel science and applications due to their quantum confinement effect. However, the reported fabrication techniques for such QDs all involve the use of liquid organic solvents and the final material extraction from such liquid dispersions. Here a novel and convenient dry method for the synthesis of MoS₂ quantum dots interspersed on few‐layer MoS₂ using soft hydrogen plasma treatment followed by post‐annealing is demonstrated. The size of MoS₂ nanodots can be well controlled by adjusting the working pressure of hydrogen plasma and post‐thermal annealing. This method relies on the cumulative hydrogen ion bombardment effect which can destroy the hexagonal structure of the top MoS₂ layer and disintegrate the top layer into MoS₂ nanodots and even QDs. Post‐thermal annealing can further reduce the size. Such MoS₂ quantum dots interspersed on few‐layer MoS₂ exhibit two new photoluminescence peaks at around 575 nm because of the quantum confinement effect. This dry method is versatile, scalable, and compatible with the semiconductor manufacturing processes, and can be extended to other layered materials for applications in hydrogen evolution reaction, catalysis, and energy devices.     

Effect of precursor on growth and morphology of MoS2 monolayer and multilayer

The rise of two-dimensional (2D) material is one of the results of successful efforts of researchers which laid the path to the new era of electronics. One of the most exciting materials is MoS₂. Synthesis has been always a major issue as electronic devices need reproducibility along with similar properties for mass productions. Chemical vapor deposition (CVD) is one of the successful methods for 2D materials including graphene. Furthermore, the choice of starting materials for Mo and S source is crucial. The different source has different effects on the layers and morphology of MoS₂ films. In this work, we have extensively studied the CVD technique to grow few layers of MoS₂ with two precursors MoO₃ and MoCl₅, show remarkable changes. The MoO₃ source gives a triangular shaped MoS₂ monolayer while that of MoCl₅ can achieve uniform MoS₂ without triangle. The absence of geometric shapes with MoCl₅ is poorly understood. We tried to explain with MoCl₅ precursor, the formation of continuous monolayer of MoS₂ without any triangle on the basis of chemical reaction formalism mostly due to one step reaction process and formation of MoS₂ from gas phase to the solid phase. The film synthesized by MoCl₅ is more continuous and it would be a good choice for device applications.