WorldWideScience

Sample records for f-absorbed mos2 monolayers

  1. Monolayer MoS2 heterojunction solar cells

    KAUST Repository

    Tsai, Menglin

    2014-08-26

    We realized photovoltaic operation in large-scale MoS2 monolayers by the formation of a type-II heterojunction with p-Si. The MoS 2 monolayer introduces a built-in electric field near the interface between MoS2 and p-Si to help photogenerated carrier separation. Such a heterojunction photovoltaic device achieves a power conversion efficiency of 5.23%, which is the highest efficiency among all monolayer transition-metal dichalcogenide-based solar cells. The demonstrated results of monolayer MoS 2/Si-based solar cells hold the promise for integration of 2D materials with commercially available Si-based electronics in highly efficient devices. © 2014 American Chemical Society.

  2. Conduction quantization in monolayer MoS2

    Science.gov (United States)

    Li, T. S.

    2016-10-01

    We study the ballistic conduction of a monolayer MoS2 subject to a spatially modulated magnetic field by using the Landauer-Buttiker formalism. The band structure depends sensitively on the field strength, and its change has profound influence on the electron conduction. The conductance is found to demonstrate multi-step behavior due to the discrete number of conduction channels. The sharp peak and rectangular structures of the conductance are stretched out as temperature increases, due to the thermal broadening of the derivative of the Fermi-Dirac distribution function. Finally, quantum behavior in the conductance of MoS2 can be observed at temperatures below 10 K.

  3. Thermal conductivity of bulk and monolayer MoS2

    KAUST Repository

    Gandi, Appala

    2016-02-26

    © Copyright EPLA, 2016. We show that the lattice contribution to the thermal conductivity of MoS2 strongly dominates the carrier contribution in a broad temperature range from 300 to 800 K. Since theoretical insight into the lattice contribution is largely missing, though it would be essential for materials design, we solve the Boltzmann transport equation for the phonons self-consistently in order to evaluate the phonon lifetimes. In addition, the length scale for transition between diffusive and ballistic transport is determined. The low out-of-plane thermal conductivity of bulk MoS2 (2.3 Wm-1K-1 at 300 K) is useful for thermoelectric applications. On the other hand, the thermal conductivity of monolayer MoS2 (131 Wm-1K-1 at 300 K) is comparable to that of Si.

  4. Ultrafast photocurrents in monolayer MoS2

    Science.gov (United States)

    Parzinger, Eric; Wurstbauer, Ursula; Holleitner, Alexander W.

    Two-dimensional transition metal dichalcogenides such as MoS2 have emerged as interesting materials for optoelectronic devices. In particular, the ultrafast dynamics and lifetimes of photoexcited charge carriers have attracted great interest during the last years. We investigate the photocurrent response of monolayer MoS2 on a picosecond time scale utilizing a recently developed pump-probe spectroscopy technique based on coplanar striplines. We discuss the ultrafast dynamics within MoS2 including photo-thermoelectric currents and the impact of built-in fields due to Schottky barriers as well as the Fermi level pinning at the contact region. We acknowledge support by the ERC via Project 'NanoREAL', the DFG via excellence cluster 'Nanosystems Initiative Munich' (NIM), and through the TUM International Graduate School of Science and Engineering (IGSSE) and BaCaTeC.

  5. Enhanced photoresponse of monolayer molybdenum disulfide (MoS2) based on microcavity structure

    Science.gov (United States)

    Lu, Yanan; Yang, Guofeng; Wang, Fuxue; Lu, Naiyan

    2018-05-01

    There is an increasing interest in using monolayer molybdenum disulfide (MoS2) for optoelectronic devices because of its inherent direct band gap characteristics. However, the weak absorption of monolayer MoS2 restricts its applications, novel concepts need to be developed to address the weakness. In this work, monolayer MoS2 monolithically integrates with plane microcavity structure, which is formed by the top and bottom chirped distributed Bragg reflector (DBR), is demonstrated to improve the absorption of MoS2. The optical absorption is 17-fold enhanced, reaching values over 70% at work wavelength. Moreover, the monolayer MoS2-based photodetector device with microcavity presents a significantly increased photoresponse, demonstrating its promising prospects in MoS2-based optoelectronic devices.

  6. A Route to Permanent Valley Polarization in Monolayer MoS2

    KAUST Repository

    Singh, Nirpendra

    2016-10-24

    Realization of permanent valley polarization in Cr-doped monolayer MoS2 is found to be unfeasible because of extended moment formation. Introduction of an additional hole is suggested as a viable solution. V-doped monolayer MoS2 is demonstrated to sustain permanent valley polarization and therefore can serve as a prototype material for valleytronics.

  7. The Interface between Gd and Monolayer MoS2: A First-Principles Study

    KAUST Repository

    Zhang, Xuejing; Mi, Wenbo; Wang, Xiaocha; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    We analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface

  8. Controlled synthesis of high-quality crystals of monolayer MoS2 for nanoelectronic device application

    DEFF Research Database (Denmark)

    Yang, Xiaonian; Li, Qiang; Hu, Guofeng

    2016-01-01

    . Monolayer MoS2 so far can be obtained by mechanical exfoliation or chemical vapor deposition (CVD). However, controllable synthesis of large area monolayer MoS2 with high quality needs to be improved and their growth mechanism requires more studies. Here we report a systematical study on controlled...... synthesis of high-quality monolayer MoS2 single crystals using low pressure CVD. Large-size monolayer MoS2 triangles with an edge length up to 405 mu m were successfully synthesized. The Raman and photoluminescence spectroscopy studies indicate high homogenous optical characteristic of the synthesized...... monolayer MoS2 triangles. The transmission electron microscopy results demonstrate that monolayer MoS2 triangles are single crystals. The back-gated field effect transistors (FETs) fabricated using the as-grown monolayer MoS2 show typical n-type semiconductor behaviors with carrier mobility up to 21.8 cm(2...

  9. Exciton-dominant Electroluminescence from a Diode of Monolayer MoS2

    Science.gov (United States)

    2014-05-14

    injected electrons and holes, is a reliable technique to study exciton recombination processes in monolayer MoS2, including val- ley and spin excitation...temperature. After superimposing a white light scattering image of the de - vice, we find that the electroluminescence is localized at the edge of the...We find the emerged feature (labeled NX) peaks at 550 nm with energy of 2.255 eV. In low dimensional system, like monolayer MoS2, Coulomb interactions

  10. Atomic-Monolayer MoS2 Band-to-Band Tunneling Field-Effect Transistor

    KAUST Repository

    Lan, Yann Wen

    2016-09-05

    The experimental observation of band-to-band tunneling in novel tunneling field-effect transistors utilizing a monolayer of MoS2 as the conducting channel is demonstrated. Our results indicate that the strong gate-coupling efficiency enabled by two-dimensional materials, such as monolayer MoS2, results in the direct manifestation of a band-to-band tunneling current and an ambipolar transport.

  11. Enhanced monolayer MoS2/InP heterostructure solar cells by graphene quantum dots

    Science.gov (United States)

    Wang, Peng; Lin, Shisheng; Ding, Guqiao; Li, Xiaoqiang; Wu, Zhiqian; Zhang, Shengjiao; Xu, Zhijuan; Xu, Sen; Lu, Yanghua; Xu, Wenli; Zheng, Zheyang

    2016-04-01

    We demonstrate significantly improved photovoltaic response of monolayer molybdenum disulfide (MoS2)/indium phosphide (InP) van der Waals heterostructure induced by graphene quantum dots (GQDs). Raman and photoluminescence measurements indicate that effective charge transfer takes place between GQDs and MoS2, which results in n-type doping of MoS2. The doping effect increases the barrier height at the MoS2/InP heterojunction, thus the averaged power conversion efficiency of MoS2/InP solar cells is improved from 2.1% to 4.1%. The light induced doping by GQD provides a feasible way for developing more efficient MoS2 based heterostructure solar cells.

  12. Doping effect on monolayer MoS2 for visible light dye degradation - A DFT study

    Science.gov (United States)

    Cheriyan, Silpa; Balamurgan, D.; Sriram, S.

    2018-04-01

    The electronic and optical properties of, Nitrogen (N), Cobalt (Co), and Co-N co-doped monolayers of MoS2 has been studied by using density functional theory (DFT) for visible light photocatalytic activity. From the calculations, it has been observed that the band gap of monolayer MoS2 has been reduced while doping. However, the band gaps of pristine and N doped MoS2 monolayers only falls in the visible region while for Co and Co-N co-doped systems, the band gap shifted to IR region. The optical calculation also confirms the results. The formation energy values of the doped system reaveal that MoS2 monolayer drops its stability while doping. To evaluate the photocatalytic response, band edge potentials of pristine and N-MoS2 are calculated, and the observed results show that compared to N-doped MoS2 monolayer, pure MoS2 is highly suitable for visible light photocatalytic dye degradation.

  13. Strain engineering in monolayer WS2, MoS2, and the WS2/MoS2 heterostructure

    KAUST Repository

    He, Xin; Li, Hai; Zhu, Zhiyong; Dai, Zhenyu; Yang, Yang; Yang, Peng; Zhang, Qiang; Li, Peng; Schwingenschlö gl, Udo; Zhang, Xixiang

    2016-01-01

    Mechanically exfoliated monolayers of WS2, MoS2 and their van der Waals heterostructure were fabricated on flexible substrate so that uniaxial tensile strain can be applied to the two-dimensional samples. The modification of the band structure under strain was investigated by micro-photoluminescence spectroscopy at room temperature as well as by first-principles calculations. Exciton and trion emissions were observed in both WS2 and the heterostructure at room temperature, and were redshifted by strain, indicating potential for applications in flexible electronics and optoelectronics.

  14. Strain engineering in monolayer WS2, MoS2, and the WS2/MoS2 heterostructure

    KAUST Repository

    He, Xin

    2016-10-27

    Mechanically exfoliated monolayers of WS2, MoS2 and their van der Waals heterostructure were fabricated on flexible substrate so that uniaxial tensile strain can be applied to the two-dimensional samples. The modification of the band structure under strain was investigated by micro-photoluminescence spectroscopy at room temperature as well as by first-principles calculations. Exciton and trion emissions were observed in both WS2 and the heterostructure at room temperature, and were redshifted by strain, indicating potential for applications in flexible electronics and optoelectronics.

  15. Strongly luminescent monolayered MoS2 prepared by effective ultrasound exfoliation.

    Science.gov (United States)

    Štengl, Václav; Henych, Jiří

    2013-04-21

    Intense ultrasound in a pressurized batch reactor was used for preparation of monolayered MoS2 nanosheets from natural mineral molybdenite. Exfoliation of bulk MoS2 using ultrasound is an attractive route to large-scale preparation of monolayered crystals. To evaluate the quality of delamination, methods like X-ray diffraction, Raman spectroscopy and microscopic techniques (TEM and AFM) were employed. From single- or few-layered products obtained from intense sonication, MoS2 quantum dots (MoSQDs) were prepared by a one-pot reaction by refluxing exfoliated nanosheets of MoS2 in ethylene glycol under atmospheric pressure. The synthesised MoSQDs were characterised by photoluminescence spectroscopy and laser-scattering particle size analysis. Our easy preparation leads to very strongly green luminescing quantum dots.

  16. Wafer-scale synthesis of monolayer and few-layer MoS2 via thermal vapor sulfurization

    Science.gov (United States)

    Robertson, John; Liu, Xue; Yue, Chunlei; Escarra, Matthew; Wei, Jiang

    2017-12-01

    Monolayer molybdenum disulfide (MoS2) is an atomically thin, direct bandgap semiconductor crystal potentially capable of miniaturizing optoelectronic devices to an atomic scale. However, the development of 2D MoS2-based optoelectronic devices depends upon the existence of a high optical quality and large-area monolayer MoS2 synthesis technique. To address this need, we present a thermal vapor sulfurization (TVS) technique that uses powder MoS2 as a sulfur vapor source. The technique reduces and stabilizes the flow of sulfur vapor, enabling monolayer wafer-scale MoS2 growth. MoS2 thickness is also controlled with great precision; we demonstrate the ability to synthesize MoS2 sheets between 1 and 4 layers thick, while also showing the ability to create films with average thickness intermediate between integer layer numbers. The films exhibit wafer-scale coverage and uniformity, with electrical quality varying depending on the final thickness of the grown MoS2. The direct bandgap of grown monolayer MoS2 is analyzed using internal and external photoluminescence quantum efficiency. The photoluminescence quantum efficiency is shown to be competitive with untreated exfoliated MoS2 monolayer crystals. The ability to consistently grow wafer-scale monolayer MoS2 with high optical quality makes this technique a valuable tool for the development of 2D optoelectronic devices such as photovoltaics, detectors, and light emitters.

  17. Ultrafast Transient Terahertz Conductivity of Monolayer MoS 2 and WSe 2 Grown by Chemical Vapor Deposition

    KAUST Repository

    Docherty, Callum J.

    2014-11-25

    We have measured ultrafast charge carrier dynamics in monolayers and trilayers of the transition metal dichalcogenides MoS2 and WSe2 using a combination of time-resolved photoluminescence and terahertz spectroscopy. We recorded a photoconductivity and photoluminescence response time of just 350 fs from CVD-grown monolayer MoS2, and 1 ps from trilayer MoS2 and monolayer WSe2. Our results indicate the potential of these materials as high-speed optoelectronic materials.

  18. Ultrafast Transient Terahertz Conductivity of Monolayer MoS 2 and WSe 2 Grown by Chemical Vapor Deposition

    KAUST Repository

    Docherty, Callum J.; Parkinson, Patrick; Joyce, Hannah J.; Chiu, Ming-Hui; Chen, Chang-Hsiao; Lee, Ming-Yang; Li, Lain-Jong; Herz, Laura M.; Johnston, Michael B.

    2014-01-01

    We have measured ultrafast charge carrier dynamics in monolayers and trilayers of the transition metal dichalcogenides MoS2 and WSe2 using a combination of time-resolved photoluminescence and terahertz spectroscopy. We recorded a photoconductivity and photoluminescence response time of just 350 fs from CVD-grown monolayer MoS2, and 1 ps from trilayer MoS2 and monolayer WSe2. Our results indicate the potential of these materials as high-speed optoelectronic materials.

  19. Synthesis of Monolayer MoS2 by Chemical Vapor Deposition

    Science.gov (United States)

    Withanage, Sajeevi; Lopez, Mike; Dumas, Kenneth; Jung, Yeonwoong; Khondaker, Saiful

    Finite and layer-tunable band gap of transition metal dichalcogenides (TMDs) including molybdenum disulfide (MoS2) are highlighted over the zero band gap graphene in various semiconductor applications. Weak interlayer Van der Waal bonding of bulk MoS2 allows to cleave few to single layer MoS2 using top-down methods such as mechanical and chemical exfoliation, however few micron size of these flakes limit MoS2 applications to fundamental research. Bottom-up approaches including the sulfurization of molybdenum (Mo) thin films and co-evaporation of Mo and sulfur precursors received the attention due to their potential to synthesize large area. We synthesized monolayer MoS2 on Si/SiO2 substrates by atmospheric pressure Chemical Vapor Deposition (CVD) methods using sulfur and molybdenum trioxide (MoO3) as precursors. Several growth conditions were tested including precursor amounts, growth temperature, growth time and flow rate. Raman, photoluminescence (PL) and atomic force microscopy (AFM) confirmed monolayer islands merging to create large area were observed with grain sizes up to 70 μm without using any seeds or seeding promoters. These studies provide in-depth knowledge to synthesize high quality large area MoS2 for prospective electronics applications.

  20. Observation of Room-Temperature Magnetoresistance in Monolayer MoS2 by Ferromagnetic Gating.

    Science.gov (United States)

    Jie, Wenjing; Yang, Zhibin; Zhang, Fan; Bai, Gongxun; Leung, Chi Wah; Hao, Jianhua

    2017-07-25

    Room-temperature magnetoresistance (MR) effect is observed in heterostructures of wafer-scale MoS 2 layers and ferromagnetic dielectric CoFe 2 O 4 (CFO) thin films. Through the ferromagnetic gating, an MR ratio of -12.7% is experimentally achieved in monolayer MoS 2 under 90 kOe magnetic field at room temperature (RT). The observed MR ratio is much higher than that in previously reported nonmagnetic metal coupled with ferromagnetic insulator, which generally exhibited MR ratio of less than 1%. The enhanced MR is attributed to the spin accumulation at the heterostructure interface and spin injection to the MoS 2 layers by the strong spin-orbit coupling effect. The injected spin can contribute to the spin current and give rise to the MR by changing the resistance of MoS 2 layers. Furthermore, the MR effect decreases as the thickness of MoS 2 increases, and the MR ratio becomes negligible in MoS 2 with thickness more than 10 layers. Besides, it is interesting to find a magnetic field direction dependent spin Hall magnetoresistance that stems from a combination of the spin Hall and the inverse spin Hall effects. Our research provides an insight into exploring RT MR in monolayer materials, which should be helpful for developing ultrathin magnetic storage devices in the atomically thin limit.

  1. Strictly monolayer large continuous MoS2 films on diverse substrates and their luminescence properties

    International Nuclear Information System (INIS)

    Mohapatra, P. K.; Deb, S.; Singh, B. P.; Vasa, P.; Dhar, S.

    2016-01-01

    Despite a tremendous interest on molybdenum disulfide as a thinnest direct band gap semiconductor, single step synthesis of a large area purely monolayer MoS 2 film has not yet been reported. Here, we report a CVD route to synthesize a continuous film of strictly monolayer MoS 2 covering an area as large as a few cm 2 on a variety of different substrates without using any seeding material or any elaborate pretreatment of the substrate. This is achieved by allowing the growth to take place in the naturally formed gap between a piece of SiO 2 coated Si wafer and the substrate, when the latter is placed on top of the former inside a CVD reactor. We propose a qualitative model to explain why the MoS 2 films are always strictly monolayer in this method. The photoluminescence study of these monolayers shows the characteristic excitonic and trionic features associated with monolayer MoS 2 . In addition, a broad defect related luminescence band appears at ∼1.7 eV. As temperature decreases, the intensity of this broad feature increases, while the band edge luminescence reduces

  2. The Interface between Gd and Monolayer MoS2: A First-Principles Study

    KAUST Repository

    Zhang, Xuejing

    2014-12-08

    We analyze the electronic structure of interfaces between two-, four- and six-layer Gd(0001) and monolayer MoS2 by first-principles calculations. Strong chemical bonds shift the Fermi energy of MoS2 upwards into the conduction band. At the surface and interface the Gd f states shift to lower energy and new surface/interface Gd d states appear at the Fermi energy, which are strongly hybridized with the Mo 4d states and thus lead to a high spin-polarization (ferromagnetically ordered Mo magnetic moments of 0.15 μB). Gd therefore is an interesting candidate for spin injection into monolayer MoS2.

  3. Stretching and breaking of monolayer MoS2—an atomistic simulation

    International Nuclear Information System (INIS)

    Lorenz, Tommy; Joswig, Jan-Ole; Seifert, Gotthard

    2014-01-01

    We report on the simulation of the nanoindentation process of monolayer MoS 2 using molecular-dynamics simulations and a density-functional based tight-binding method. A circular sheet of MoS 2 with clamped boundaries was indented by a slowly moved tip, which deformed and finally pierced the layer. We found the Young’s modulus of monolayer MoS 2 to be 262 GPa, which is in good agreement with experimental observations. Furthermore, the energetic and structural behavior during the indentation process was analyzed. Elasticity theory supplies the necessary equations to explain the experiment. Thereby, the nature of the linear term in the force-deflection relation is discussed. (letter)

  4. Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems

    KAUST Repository

    Cheng, Yingchun; Guo, Z. B.; Mi, W. B.; Schwingenschlö gl, Udo; Zhu, Zhiyong

    2013-01-01

    Using first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS2 doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number

  5. Scanning tunneling spectroscopy of MoS2 monolayer in presence of ethanol gas

    Science.gov (United States)

    Hosseini, Seyed Ali; Iraji zad, Azam; Berahman, Masoud; Aghakhani Mahyari, Farzaneh; Shokouh, Seyed Hossein Hosseini

    2018-04-01

    Due to high surface to volume ratio and tunable band gap, two dimensional (2D) layered materials such as MoS2, is good candidate for gas sensing applications. This research mainly focuses on variation of Density of States (DOS) of MoS2 monolayes caused by ethanol adsorption. The nanosheets are synthesized by liquid exfoliation, and then using Scanning Tunneling Spectroscopy (STS) and Density Functional Theory (DFT), local electronic characteristic such as DOS and band gap in non-vacuum condition are analyzed. The results show that ethanol adsorption enhances DOS and deform orbitals near the valence and conduction bands that increase transport of carriers on the sheet.

  6. Piezoelectricity enhancement and bandstructure modification of atomic defect-mediated MoS2 monolayer.

    Science.gov (United States)

    Yu, Sheng; Rice, Quinton; Neupane, Tikaram; Tabibi, Bagher; Li, Qiliang; Seo, Felix Jaetae

    2017-09-13

    Piezoelectricity appears in the inversion asymmetric crystal that converts mechanical deformation to electricity. Two-dimensional transition metal dichalcolgenide (TMDC) monolayers exhibit the piezoelectric effect due to inversion asymmetry. The intrinsic piezoelectric coefficient (e 11 ) of MoS 2 is ∼298 pC m -1 . For the single atomic shift of Mo of 20% along the armchair direction, the piezoelectric coefficient (e 11 ) of MoS 2 with 5 × 5 unit cells was enhanced up to 18%, and significantly modified the band structure. The single atomic shift in the MoS 2 monolayer also induced new energy levels inside the forbidden bandgap. The defect-induced energy levels for a Mo atom shift along the armchair direction are relatively deeper than that for a S atom shift along the same direction. This indicates that the piezoelectricity and band structure of MoS 2 can be engineered by a single atomic shift in the monolayer with multi unit cells for piezo- and opto-electric applications.

  7. Andreev reflection in monolayer MoS2

    Science.gov (United States)

    Majidi, Leyla; Rostami, Habib; Asgari, Reza

    2014-01-01

    Andreev reflection in a monolayer molybdenum disulfide superconducting-normal (S/N) hybrid junction is investigated. We find, by using a modified Dirac Hamiltonian and the scattering formalism, that the perfect Andreev reflection happens at normal incidence with p-doped S and N regions. The probability of the Andreev reflection and the resulting Andreev conductance, in this system, are demonstrated to be large in comparison with the corresponding gapped graphene structure. We further investigate the effect of a topological term (β ) in the Hamiltonian and show that it results in an enhancement of the Andreev conductance with p-doped S and N regions, while in the corresponding structure with an n-doped S region it is strongly reducible in comparison. This effect can be explained in terms of the dependence of the Andreev reflection probability on the sign of β and the chemical potential in the superconducting region.

  8. Research Update: Spin transfer torques in permalloy on monolayer MoS2

    Directory of Open Access Journals (Sweden)

    Wei Zhang

    2016-03-01

    Full Text Available We observe current induced spin transfer torque resonance in permalloy (Py grown on monolayer MoS2. By passing rf current through the Py/MoS2 bilayer, field-like and damping-like torques are induced which excite the ferromagnetic resonance of Py. The signals are detected via a homodyne voltage from anisotropic magnetoresistance of Py. In comparison to other bilayer systems with strong spin-orbit torques, the monolayer MoS2 cannot provide bulk spin Hall effects and thus indicates the purely interfacial nature of the spin transfer torques. Therefore our results indicate the potential of two-dimensional transition-metal dichalcogenide for the use of interfacial spin-orbitronics applications.

  9. Possible doping strategies for MoS 2 monolayers: An ab initio study

    KAUST Repository

    Dolui, Kapildeb; Rungger, Ivan; Das Pemmaraju, Chaitanya; Sanvito, Stefano

    2013-01-01

    Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable p-type dopant, while Re is the donor with the lowest activation energy. When dopants are simply adsorbed on a monolayer we find that alkali metals shift the Fermi energy into the MoS2 conduction band, making the system n type. Finally, the adsorption of charged molecules is considered, mimicking an ionic liquid environment. We find that molecules adsorption can lead to both n- and p-type conductivity, depending on the charge polarity of the adsorbed species. © 2013 American Physical Society.

  10. Possible doping strategies for MoS 2 monolayers: An ab initio study

    KAUST Repository

    Dolui, Kapildeb

    2013-08-14

    Density functional theory is used to systematically study the electronic properties of doped MoS2 monolayers, where the dopants are incorporated both via S/Mo substitution or as adsorbates. Among the possible substitutional dopants at the Mo site, Nb is identified as suitable p-type dopant, while Re is the donor with the lowest activation energy. When dopants are simply adsorbed on a monolayer we find that alkali metals shift the Fermi energy into the MoS2 conduction band, making the system n type. Finally, the adsorption of charged molecules is considered, mimicking an ionic liquid environment. We find that molecules adsorption can lead to both n- and p-type conductivity, depending on the charge polarity of the adsorbed species. © 2013 American Physical Society.

  11. Anomalous lattice vibrations of monolayer MoS 2 probed by ultraviolet Raman scattering

    KAUST Repository

    Liu, Hsiang Lin; Guo, Huaihong; Yang, Teng; Zhang, Zhidong; Kumamoto, Yasuaki; Shen, Chih Chiang; Hsu, Yu Te; Li, Lain-Jong; Saito, Riichiro; Kawata, Satoshi

    2015-01-01

    We present a comprehensive Raman scattering study of monolayer MoS2 with increasing laser excitation energies ranging from the near-infrared to the deep-ultraviolet. The Raman scattering intensities from the second-order phonon modes are revealed to be enhanced anomalously by only the ultraviolet excitation wavelength 354 nm. We demonstrate theoretically that such resonant behavior arises from a strong optical absorption that forms near the Γ point and of the band structure and an inter-valley resonant electronic scattering by the M-point phonons. These results advance our understanding of the double resonance Raman scattering process in low-dimensional semiconducting nanomaterials and provide a foundation for the technological development of monolayer MoS2 in the ultraviolet frequency range. © the Owner Societies 2015.

  12. Tunable thermoelectricity in monolayers of MoS2 and other group-VI dichalcogenides

    KAUST Repository

    Tahir, M

    2014-10-31

    We study the thermoelectric properties of monolayers of MoS2 and other group-VI dichalcogenides under circularly polarized off-resonant light. Analytical expressions are derived for the Berry phase mediated magnetic moment, orbital magnetization, as well as thermal and Nernst conductivities. Tuning of the band gap by off-resonant light enhances the spin splitting in both the valence and conduction bands and, thus, leads to a dramatic improvement of the spin and valley thermoelectric properties.

  13. Tunable thermoelectricity in monolayers of MoS2 and other group-VI dichalcogenides

    KAUST Repository

    Tahir, M; Schwingenschlö gl, Udo

    2014-01-01

    We study the thermoelectric properties of monolayers of MoS2 and other group-VI dichalcogenides under circularly polarized off-resonant light. Analytical expressions are derived for the Berry phase mediated magnetic moment, orbital magnetization, as well as thermal and Nernst conductivities. Tuning of the band gap by off-resonant light enhances the spin splitting in both the valence and conduction bands and, thus, leads to a dramatic improvement of the spin and valley thermoelectric properties.

  14. Activating basal-plane catalytic activity of two-dimensional MoS2 monolayer with remote hydrogen plasma

    KAUST Repository

    Cheng, Chia-Chin; Lu, Ang-Yu; Tseng, Chien-Chih; Yang, Xiulin; Hedhili, Mohamed N.; Chen, Min-Cheng; Wei, Kung-Hwa; Li, Lain-Jong

    2016-01-01

    that account for a small percentage of the surface area, rather than the basal planes, of MoS2 monolayer have been confirmed as their active catalytic sites. As a result, extensive efforts have been developing in activating the basal planes of MoS2

  15. Photovoltaic heterojunctions of fullerenes with MoS2 and WS2 monolayers

    KAUST Repository

    Gan, Liyong

    2014-04-17

    First-principles calculations are performed to explore the geometry, bonding, and electronic structures of six ultrathin photovoltaic heterostructures consisting of pristine and B- or N-doped fullerenes and MoS2 or WS2 monolayers. The fullerenes prefer to be attached with a hexagon parallel to the monolayer, where B and N favor proximity to the monolayer. The main electronic properties of the subsystems stay intact, suggesting weak interfacial interaction. Both the C60/MoS 2 and C60/WS2 systems show type-II band alignments. However, the built-in potential in the former case is too small to effectively drive electron-hole separation across the interface, whereas the latter system is predicted to show good photovoltaic performance. Unfortunately, B and N doping destroys the type-II band alignment on MoS2 and preserves it only in one spin channel on WS2, which is unsuitable for excitonic solar cells. Our results suggest that the C60/WS 2 system is highly promising for excitonic solar cells. © 2014 American Chemical Society.

  16. Adsorption studies of alcohol molecules on monolayer MoS_2 nanosheet—A first-principles insights

    International Nuclear Information System (INIS)

    Nagarajan, V.; Chandiramouli, R.

    2017-01-01

    Highlights: • The adsorption of methanol, ethanol & 1-propanol on MoS_2 nanosheet are studied. • The PDOS & band structure confirms adsorption of alcohol vapors on MoS_2 nanosheet. • The adsorption of 1-propanol vapor on MoS_2 nanosheet is more favorable. • The alcohol molecules adsorption on MoS_2 nanosheet is explored in atomistic level. - Abstract: The electronic and adsorption properties of three different alcohol molecules namely methanol, ethanol and 1-propanol vapors on MoS_2 nanosheet is investigated using DFT method. The structural stability of MoS_2 nanosheet is ascertained with formation energy. The adsorption properties of alcohol molecules on MoS_2 base material is discussed in terms of average energy gap variation, Mulliken charge transfer, energy band gap and adsorption energy. The prominent adsorption sites of methanol, ethanol and 1-propanol vapors on MoS_2 nanosheet are studied in atomistic level. The projected density of states (PDOS) spectrum gives the clear insights on the electronic properties of MoS_2 nanosheet. The PDOS and energy band structure confirmed the adsorption of alcohol vapors on MoS_2 nanosheet. The variation in the band structure and PDOS is noticed upon adsorption of methanol, ethanol and 1-propanol molecules on MoS_2 nanosheet. The PDOS spectrum also reveals the variation in peak maxima owing to transfer of electron between alcohol molecules and MoS_2 base material. The adsorption of 1-propanol vapor on MoS_2 nanosheet is observed to be more favorable than other alcohol molecules. The findings confirm that monolayer MoS_2 nanosheet can be used to detect the presence of alcohol vapors in the environment.

  17. Atomic Scale Simulation on the Anti-Pressure and Friction Reduction Mechanisms of MoS2 Monolayer

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2018-04-01

    Full Text Available MoS2 nanosheets can be used as solid lubricants or additives of lubricating oils to reduce friction and resist wear. However, the atomic scale mechanism still needs to be illustrated. Herein, molecular simulations on the indentation and scratching process of MoS2 monolayer supported by Pt(111 surface were conducted to study the anti-pressure and friction reduction mechanisms of the MoS2 monolayer. Three deformation stages of Pt-supported MoS2 monolayer were found during the indentation process: elastic deformation, plastic deformation and finally, complete rupture. The MoS2 monolayer showed an excellent friction reduction effect at the first two stages, as a result of enhanced load bearing capacity and reduced deformation degree of the substrate. Unlike graphene, rupture of the Pt-supported MoS2 monolayer was related primarily to out-of-plane compression of the monolayer. These results provide a new insight into the relationship between the mechanical properties and lubrication properties of 2D materials.

  18. Activating basal-plane catalytic activity of two-dimensional MoS2 monolayer with remote hydrogen plasma

    KAUST Repository

    Cheng, Chia-Chin

    2016-09-10

    Two-dimensional layered transition metal dichalcogenide (TMD) materials such as Molybdenum disufide (MoS2) have been recognized as one of the low-cost and efficient electrocatalysts for hydrogen evolution reaction (HER). The crystal edges that account for a small percentage of the surface area, rather than the basal planes, of MoS2 monolayer have been confirmed as their active catalytic sites. As a result, extensive efforts have been developing in activating the basal planes of MoS2 for enhancing their HER activity. Here, we report a simple and efficient approach-using a remote hydrogen-plasma process-to creating S-vacancies on the basal plane of monolayer crystalline MoS2; this process can generate high density of S-vacancies while mainly maintaining the morphology and structure of MoS2 monolayer. The density of S-vacancies (defects) on MoS2 monolayers resulted from the remote hydrogen-plasma process can be tuned and play a critical role in HER, as evidenced in the results of our spectroscopic and electrical measurements. The H2-plasma treated MoS2 also provides an excellent platform for systematic and fundamental study of defect-property relationships in TMDs, which provides insights for future applications including electrical, optical and magnetic devices. © 2016 Elsevier Ltd.

  19. Phase transition and field effect topological quantum transistor made of monolayer MoS2

    Science.gov (United States)

    Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F. M.

    2018-06-01

    We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q 2) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q 2 diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q 2 diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor.

  20. Nanoporous MoS2 monolayer as a promising membrane for purifying hydrogen and enriching methane

    Science.gov (United States)

    Zhang, Yadong; Meng, Zhaoshun; Shi, Qi; Gao, Haiqi; Liu, Yuzhen; Wang, Yunhui; Rao, Dewei; Deng, Kaiming; Lu, Ruifeng

    2017-09-01

    We present a theoretical prediction of a highly efficient membrane for hydrogen purification and natural gas upgrading, i.e. laminar MoS2 material with triangular sulfur-edged nanopores. We calculated from first principles the diffusion barriers of H2 and CO2 across monolayer MoS2 to be, respectively, 0.07 eV and 0.17 eV, which are low enough to warrant their great permeability. The permeance values for H2 and CO2 far exceed the industrially accepted standard. Meanwhile, such a porous MoS2 membrane shows excellent selectivity in terms of H2/CO, H2/N2, H2/CH4, and CO2/CH4 separation (>103, >  103, >  106, and  >  104, respectively) at room temperature. We expect that the findings in this work will expedite theoretical or experimental exploration on gas separation membranes based on transition metal dichalcogenides.

  1. Atom-Dependent Edge-Enhanced Second-Harmonic Generation on MoS2 Monolayers.

    Science.gov (United States)

    Lin, Kuang-I; Ho, Yen-Hung; Liu, Shu-Bai; Ciou, Jian-Jhih; Huang, Bo-Ting; Chen, Christopher; Chang, Han-Ching; Tu, Chien-Liang; Chen, Chang-Hsiao

    2018-02-14

    Edge morphology and lattice orientation of single-crystal molybdenum disulfide (MoS 2 ) monolayers, a transition metal dichalcogenide (TMD), possessing a triangular shape with different edges grown by chemical vapor deposition are characterized by atomic force microscopy and transmission electron microscopy. Multiphoton laser scanning microscopy is utilized to study one-dimensional atomic edges of MoS 2 monolayers with localized midgap electronic states, which result in greatly enhanced optical second-harmonic generation (SHG). Microscopic S-zigzag edge and S-Mo Klein edge (bare Mo atoms protruding from a S-zigzag edge) terminations and the edge-atom dependent resonance energies can therefore be deduced based on SHG images. Theoretical calculations based on density functional theory clearly explain the lower energy of the S-zigzag edge states compared to the corresponding S-Mo Klein edge states. Characterization of the atomic-scale variation of edge-enhanced SHG is a step forward in this full-optical and high-yield technique of atomic-layer TMDs.

  2. Quantum mechanical rippling of a MoS2 monolayer controlled by interlayer bilayer coupling.

    Science.gov (United States)

    Zheng, Yi; Chen, Jianyi; Ng, M-F; Xu, Hai; Liu, Yan Peng; Li, Ang; O'Shea, Sean J; Dumitrică, T; Loh, Kian Ping

    2015-02-13

    Nanoscale corrugations are of great importance in determining the physical properties of two-dimensional crystals. However, the mechanical behavior of atomically thin films under strain is not fully understood. In this Letter, we show a layer-dependent mechanical response of molybdenum disulfide (MoS(2)) subject to atomistic-precision strain induced by 2H-bilayer island epitaxy. Dimensional crossover in the mechanical properties is evidenced by the formation of star-shaped nanoripple arrays in the first monolayer, while rippling instability is completely suppressed in the bilayer. Microscopic-level quantum mechanical simulations reveal that the nanoscale rippling is realized by the twisting of neighboring Mo-S bonds without modifying the chemical bond length, and thus invalidates the classical continuum mechanics. The formation of nanoripple arrays significantly changes the electronic and nanotribological properties of monolayer MoS(2). Our results suggest that quantum mechanical behavior is not unique for sp(2) bonding but general for atomic membranes under strain.

  3. Photoluminescence wavelength variation of monolayer MoS2 by oxygen plasma treatment

    International Nuclear Information System (INIS)

    Kim, Min Su; Nam, Giwoong; Park, Seki; Kim, Hyun; Han, Gang Hee; Lee, Jubok; Dhakal, Krishna P.; Leem, Jae-Young; Lee, Young Hee; Kim, Jeongyong

    2015-01-01

    We performed nanoscale confocal photoluminescence (PL), Raman, and absorption spectral imaging measurements to investigate the optical and structural properties of molybdenum disulfide (MoS 2 ) monolayers synthesized by chemical vapor deposition method and subjected to oxygen plasma treatment for 10 to 120 s under high vacuum (1.3 × 10 −3 Pa). Oxygen plasma treatment induced red shifts of ~ 20 nm in the PL emission peaks corresponding to A and B excitons. Similarly, the peak positions corresponding to A and B excitons of the absorption spectra were red-shifted following oxygen plasma treatment. Based on the confocal PL, absorption, and Raman microscopy results, we suggest that the red-shifting of the A and B exciton peaks originated from shallow defect states generated by oxygen plasma treatment. - Highlights: • Effects of oxygen plasma on optical properties of monolayer MoS 2 were investigated. • Confocal photoluminescence, Raman, and absorption spectral maps are presented. • Wavelength tuning up to ~ 20 nm for the peak emission wavelength was achieved

  4. Electronic and magnetic properties of 3d-metal trioxides superhalogen cluster-doped monolayer MoS2: A first-principles study

    International Nuclear Information System (INIS)

    Li, Dan; Niu, Yuan; Zhao, Hongmin; Liang, Chunjun; He, Zhiqun

    2014-01-01

    Utilizing first-principle calculations, the structural, electronic, and magnetic properties of monolayer MoS 2 doped with 3d transition-metal (TM) atoms and 3d-metal trioxides (TMO 3 ) superhalogen clusters are investigated. 3d-metal TMO 3 superhalogen cluster-doped monolayers MoS 2 almost have negative formation energies except CoO 3 and NiO 3 doped monolayer MoS 2 , which are much lower than those of 3d TM-doped structures. 3d-metal TMO 3 superhalogen clusters are more easily embedded in monolayer MoS 2 than 3d-metal atoms. MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic, and the total magnetic moments are approximately 1.0, 2.0, 3.0, and 4.0 μB per supercell, respectively. MnO 3 and FeO 3 incorporated into monolayer MoS 2 become semiconductors, whereas CoO 3 and NiO 3 incorporated into monolayer MoS 2 become half-metallic. Our studies demonstrate that the half-metallic ferromagnetic nature of 3d-metal TMO 3 superhalogen clusters-doped monolayer MoS 2 has a great potential for MoS 2 -based spintronic device applications. -- Highlights: •TMO 3 superhalogen clusters incorporated into monolayer MoS 2 were investigated. •TMO 3 doped structures have much lower formation energies than TM doped structures. •TMO 3 cluster-doped MoS 2 are thermodynamically favored. •Significant charge transfers between O atoms and Mo atoms in TMO 3 doped structures. •MnO 3 , FeO 3 , CoO 3 , and NiO 3 incorporated into monolayer MoS 2 are magnetic.

  5. Transfer matrix approach to electron transport in monolayer MoS2/MoO x heterostructures

    Science.gov (United States)

    Li, Gen

    2018-05-01

    Oxygen plasma treatment can introduce oxidation into monolayer MoS2 to transfer MoS2 into MoO x , causing the formation of MoS2/MoO x heterostructures. We find the MoS2/MoO x heterostructures have the similar geometry compared with GaAs/Ga1‑x Al x As semiconductor superlattice. Thus, We employ the established transfer matrix method to analyse the electron transport in the MoS2/MoO x heterostructures with double-well and step-well geometries. We also considere the coupling between transverse and longitudinal kinetic energy because the electron effective mass changes spatially in the MoS2/MoO x heterostructures. We find the resonant peaks show red shift with the increasing of transverse momentum, which is similar to the previous work studying the transverse-momentum-dependent transmission in GaAs/Ga1‑x Al x As double-barrier structure. We find electric field can enhance the magnitude of peaks and intensify the coupling between longitudinal and transverse momentums. Moreover, higher bias is applied to optimize resonant tunnelling condition to show negative differential effect can be observed in the MoS2/MoO x system.

  6. Carrier and polarization dynamics in monolayer MoS2: temperature and power dependence

    Science.gov (United States)

    Urbaszek, Bernhard; Lagarde, D.; Bouet, L.; Amand, T.; Marie, X.; Zhu, C. R.; Liu, B. L.; Tan, P. H.

    2014-03-01

    In monolayer (ML) MoS2 optical transitions across the direct bandgap are governed by chiral selection rules, allowing optical k-valley initialization. Here we present the first time resolved photoluminescence (PL) polarization measurements in MoS2 MLs, providing vital information on the electron valley dynamics. Using quasi-resonant excitation of the A-exciton transitions, we can infer that the PL decays within τ ~= 4ps. The PL polarization of Pc ~ 60 % remains nearly constant in time for experiments from 4K - 300K, a necessary condition for the success of future Valley Hall experiments. τ does not vary significantly over this temperature range. This is surprising when considering the decrease of Pc in continuous wave experiments when going from 4K to 300K reported in the literature. By tuning the laser following the shift of the A-exciton resonance with temperature we are able to recover at 300K ~ 80 % of the polarization observed at 4K. For pulsed laser excitation, we observe a decrease of Pc with increasing laser power at all temperatures.

  7. Electrical response of monolayer MoS2 to vapors of aliphatic alcohols

    Science.gov (United States)

    Sepulveda, Pablo; Ramos, Idalia; Naylor, Carl; Johnson, A. T. Charlie; Pinto, Nicholas

    Monolayer MoS2 crystals were used to sense vapors of Methanol, Ethanol and 1-Propanol. Due to the large surface area, these sensors are expected to show rapid response and recovery times. The current through the sensor was monitored as a function of time with a constant applied voltage. This current decreased in the presence of the sensing gas and recovered upon its removal. Our results show that the response time gets longer as the size of the alcohol increases, but the recovery time stays approximately the same (~20s) regardless of the size of the alcohol. The sensitivity was also seen to decrease as the size of the alcohol increased. These observations could be associated with the slower diffusion of the larger alcohol molecules into the MoS2 crystal. The sensors are also fairly robust since the same sensor was used in all of the measurements after annealing in air at 70C for 10 minutes. Additional sensing measurements as a function of gas concentration will also be presented. This work was supported by NSF under Grants DMR-PREM-1523463 and DMR-RUI-1360772.

  8. MoS2 monolayer catalyst doped with isolated Co atoms for the hydrodeoxygenation reaction

    Science.gov (United States)

    Liu, Guoliang; Robertson, Alex W.; Li, Molly Meng-Jung; Kuo, Winson C. H.; Darby, Matthew T.; Muhieddine, Mohamad H.; Lin, Yung-Chang; Suenaga, Kazu; Stamatakis, Michail; Warner, Jamie H.; Tsang, Shik Chi Edman

    2017-08-01

    The conversion of oxygen-rich biomass into hydrocarbon fuels requires efficient hydrodeoxygenation catalysts during the upgrading process. However, traditionally prepared CoMoS2 catalysts, although efficient for hydrodesulfurization, are not appropriate due to their poor activity, sulfur loss and rapid deactivation at elevated temperature. Here, we report the synthesis of MoS2 monolayer sheets decorated with isolated Co atoms that bond covalently to sulfur vacancies on the basal planes that, when compared with conventionally prepared samples, exhibit superior activity, selectivity and stability for the hydrodeoxygenation of 4-methylphenol to toluene. This higher activity allows the reaction temperature to be reduced from the typically used 300 °C to 180 °C and thus allows the catalysis to proceed without sulfur loss and deactivation. Experimental analysis and density functional theory calculations reveal a large number of sites at the interface between the Co and Mo atoms on the MoS2 basal surface and we ascribe the higher activity to the presence of sulfur vacancies that are created local to the observed Co-S-Mo interfacial sites.

  9. Plasmonic Gold Nanorods Coverage Influence on Enhancement of the Photoluminescence of Two-Dimensional MoS2 Monolayer

    KAUST Repository

    Lee, Kevin C. J.

    2015-11-17

    The 2-D transition metal dichalcogenide (TMD) semiconductors, has received great attention due to its excellent optical and electronic properties and potential applications in field-effect transistors, light emitting and sensing devices. Recently surface plasmon enhanced photoluminescence (PL) of the weak 2-D TMD atomic layers was developed to realize the potential optoelectronic devices. However, we noticed that the enhancement would not increase monotonically with increasing of metal plasmonic objects and the emission drop after the certain coverage. This study presents the optimized PL enhancement of a monolayer MoS2 in the presence of gold (Au) nanorods. A localized surface plasmon wave of Au nanorods that generated around the monolayer MoS2 can provide resonance wavelength overlapping with that of the MoS2 gain spectrum. These spatial and spectral overlapping between the localized surface plasmon polariton waves and that from MoS2 emission drastically enhanced the light emission from the MoS2 monolayer. We gave a simple model and physical interpretations to explain the phenomena. The plasmonic Au nanostructures approach provides a valuable avenue to enhancing the emitting efficiency of the 2-D nano-materials and their devices for the future optoelectronic devices and systems.

  10. Plasmonic Gold Nanorods Coverage Influence on Enhancement of the Photoluminescence of Two-Dimensional MoS2 Monolayer

    KAUST Repository

    Lee, Kevin C. J.; Chen, Yi-Huan; Lin, Hsiang-Yu; Cheng, Chia-Chin; Chen, Pei-Ying; Wu, Ting-Yi; Shih, Min-Hsiung; Wei, Kung-Hwa; Li, Lain-Jong; Chang, Chien-Wen

    2015-01-01

    The 2-D transition metal dichalcogenide (TMD) semiconductors, has received great attention due to its excellent optical and electronic properties and potential applications in field-effect transistors, light emitting and sensing devices. Recently surface plasmon enhanced photoluminescence (PL) of the weak 2-D TMD atomic layers was developed to realize the potential optoelectronic devices. However, we noticed that the enhancement would not increase monotonically with increasing of metal plasmonic objects and the emission drop after the certain coverage. This study presents the optimized PL enhancement of a monolayer MoS2 in the presence of gold (Au) nanorods. A localized surface plasmon wave of Au nanorods that generated around the monolayer MoS2 can provide resonance wavelength overlapping with that of the MoS2 gain spectrum. These spatial and spectral overlapping between the localized surface plasmon polariton waves and that from MoS2 emission drastically enhanced the light emission from the MoS2 monolayer. We gave a simple model and physical interpretations to explain the phenomena. The plasmonic Au nanostructures approach provides a valuable avenue to enhancing the emitting efficiency of the 2-D nano-materials and their devices for the future optoelectronic devices and systems.

  11. First-principle study of hydrogenation on monolayer MoS2

    International Nuclear Information System (INIS)

    Xu, Yong; Li, Yin; Chen, Xi; Zhang, Ru; Zhang, Chunfang; Lu, Pengfei

    2016-01-01

    The structural and electronic properties of hydrogenation on 1H-MoS 2 and 1T-MoS 2 have been systematically explored by using density functional theory (DFT) calculations. Our calculated results indicate an energetically favorable chemical interaction between H and MoS 2 monolayer for H adsorption when increasing concentration of H atoms. For 1H-MoS 2 , single H atom adsorption creates midgap approaching the Fermi level which increases the n-type carrier concentration effectively. As a consequence, its electrical conductivity is expected to increase significantly. For 1T-MoS 2 , H atoms adsorption can lead to the opening of a direct gap of 0.13 eV compared to the metallic pristine 1T-MoS 2 .

  12. Giant valley drifts in uniaxially strained monolayer MoS2

    KAUST Repository

    Zhang, Qingyun

    2013-12-30

    Using first-principles calculations, we study the electronic structure of monolayer MoS2 under uniaxial strain. We show that the energy valleys drift far off the corners of the Brillouin zone (K points), about 12 times the amount observed in graphene. Therefore, it is essential to take this effect into consideration for a correct identification of the band gap. The system remains a direct band gap semiconductor up to 4% uniaxial strain, while the size of the band gap decreases from 1.73 to 1.54 eV. We also demonstrate that the splitting of the valence bands due to inversion symmetry breaking and spin-orbit coupling is not sensitive to strain.

  13. Prediction of two-dimensional diluted magnetic semiconductors: Doped monolayer MoS2 systems

    KAUST Repository

    Cheng, Yingchun

    2013-03-05

    Using first-principles calculations, we propose a two-dimensional diluted magnetic semiconductor: monolayer MoS2 doped by transition metals. Doping of transition metal atoms from the IIIB to VIB groups results in nonmagnetic states, since the number of valence electrons is smaller or equal to that of Mo. Doping of atoms from the VIIB to IIB groups becomes energetically less and less favorable. Magnetism is observed for Mn, Fe, Co, Zn, Cd, and Hg doping, while for the other dopants from these groups it is suppressed by Jahn-Teller distortions. Analysis of the binding energies and magnetic properties indicates that (Mo,X)S2 (X=Mn, Fe, Co, and Zn) are promising systems to explore two-dimensional diluted magnetic semiconductors.

  14. Photoinduced quantum spin and valley Hall effects, and orbital magnetization in monolayer MoS2

    KAUST Repository

    Tahir, M.

    2014-09-22

    We theoretically demonstrate that 100% valley-polarized transport in monolayers of MoS2 and other group-VI dichalcogenides can be obtained using off-resonant circularly polarized light. By tuning the intensity of the off-resonant light the intrinsic band gap in one valley is reduced, while it is enhanced in the other valley, enabling single valley quantum transport. As a consequence, we predict (i) enhancement of the longitudinal electrical conductivity, accompanied by an increase in the spin polarization of the flowing electrons, (ii) enhancement of the intrinsic spin Hall effect, together with a reduction of the intrinsic valley Hall effect, and (iii) enhancement of the orbital magnetic moment and orbital magnetization. These mechanisms provide appealing opportunities to the design of nanoelectronics based on dichalcogenides.

  15. Silicon Mie resonators for highly directional light emission from monolayer MoS2

    Science.gov (United States)

    Cihan, Ahmet Fatih; Curto, Alberto G.; Raza, Søren; Kik, Pieter G.; Brongersma, Mark L.

    2018-05-01

    Controlling light emission from quantum emitters has important applications, ranging from solid-state lighting and displays to nanoscale single-photon sources. Optical antennas have emerged as promising tools to achieve such control right at the location of the emitter, without the need for bulky, external optics. Semiconductor nanoantennas are particularly practical for this purpose because simple geometries such as wires and spheres support multiple, degenerate optical resonances. Here, we start by modifying Mie scattering theory developed for plane wave illumination to describe scattering of dipole emission. We then use this theory and experiments to demonstrate several pathways to achieve control over the directionality, polarization state and spectral emission that rely on a coherent coupling of an emitting dipole to optical resonances of a silicon nanowire. A forward-to-backward ratio of 20 was demonstrated for the electric dipole emission at 680 nm from a monolayer MoS2 by optically coupling it to a silicon nanowire.

  16. Photoinduced quantum spin and valley Hall effects, and orbital magnetization in monolayer MoS2

    KAUST Repository

    Tahir, M.; Manchon, Aurelien; Schwingenschlö gl, Udo

    2014-01-01

    We theoretically demonstrate that 100% valley-polarized transport in monolayers of MoS2 and other group-VI dichalcogenides can be obtained using off-resonant circularly polarized light. By tuning the intensity of the off-resonant light the intrinsic band gap in one valley is reduced, while it is enhanced in the other valley, enabling single valley quantum transport. As a consequence, we predict (i) enhancement of the longitudinal electrical conductivity, accompanied by an increase in the spin polarization of the flowing electrons, (ii) enhancement of the intrinsic spin Hall effect, together with a reduction of the intrinsic valley Hall effect, and (iii) enhancement of the orbital magnetic moment and orbital magnetization. These mechanisms provide appealing opportunities to the design of nanoelectronics based on dichalcogenides.

  17. Broadband and high absorption in Fibonacci photonic crystal including MoS2 monolayer in the visible range

    Science.gov (United States)

    Ansari, Narges; Mohebbi, Ensiyeh

    2018-03-01

    2D molybdenum disulfide MoS2, has represented potential applications in optoelectronic devices based on their promising optical absorption responses. However, for practical applications, absorption should increase furthermore in a wide wavelength window. In this paper, we design Fibonacci photonic crystals (PCs) based on Si, SiO2 and MoS2 monolayer and we calculate their absorption responses based on the transfer matrix method. The optical refractive index of the MoS2 monolayer was determined based on the Lorentz-Drude-Gauss model. Effects of Fibonacci order, periodicity, incident light angle and polarization are included in our calculations. Finally, an absorption as large as 90% in a wide optical wavelength range is achieved for both polarizations and incident angle down to 60°. Our results are useful for designing photonic devices with high absorption efficiency.

  18. Controllable Growth of Monolayer MoS2 and MoSe2 Crystals Using Three-temperature-zone Furnace

    Science.gov (United States)

    Zheng, Binjie; Chen, Yuanfu

    2017-12-01

    Monolayer molybdenum disulfide (MoS2) and molybdenum diselenide (MoSe2) have attracted a great attention for their exceptional electronic and optoelectronic properties among the two dimensional family. However, controllable synthesis of monolayer crystals with high quality needs to be improved urgently. Here we demonstrate a chemical vapor deposition (CVD) growth of monolayer MoS2 and MoSe2 crystals using three-temperature-zone furnace. Systematical study of the effects of growth pressure, temperature and time on the thickness, morphology and grain size of crystals shows the good controllability. The photoluminescence (PL) characterizations indicate that the as-grown monolayer MoS2 and MoSe2 crystals possess excellent optical qualities with very small full-width-half-maximum (FWHM) of 96 me V and 57 me V, respectively. It is comparable to that of exfoliated monolayers and reveals their high crystal quality. It is promising that our strategy should be applicable for the growth of other transition metal dichalcogenides (TMDs) monolayer crystals.

  19. Salt-assisted clean transfer of continuous monolayer MoS2 film for hydrogen evolution reaction

    Science.gov (United States)

    Cho, Heung-Yeol; Nguyen, Tri Khoa; Ullah, Farman; Yun, Jong-Won; Nguyen, Cao Khang; Kim, Yong Soo

    2018-03-01

    The transfer of two-dimensional (2D) materials from one substrate to another is challenging but of great importance for technological applications. Here, we propose a facile etching and residue-free method for transferring a large-area monolayer MoS2 film continuously grown on a SiO2/Si by chemical vapor deposition. Prior to synthesis, the substrate is dropped with water- soluble perylene-3, 4, 9, 10-tetracarboxylic acid tetrapotassium salt (PTAS). The as-grown MoS2 on the substrate is simply dipped in water to quickly dissolve PTAS to yield the MoS2 film floating on the water surface, which is subsequently transferred to the desired substrate. The morphological, optical and X-ray photoelectron spectroscopic results show that our method is useful for fast and clean transfer of the MoS2 film. Specially, we demonstrate that monolayer MoS2 film transferred onto a conducting substrate leads to excellent performance for hydrogen evolution reaction with low overpotential (0.29 V vs the reversible hydrogen electrode) and Tafel slope (85.5 mV/decade).

  20. Valley qubit in a gated MoS2 monolayer quantum dot

    Science.gov (United States)

    Pawłowski, J.; Żebrowski, D.; Bednarek, S.

    2018-04-01

    The aim of the presented research is to design a nanodevice, based on a MoS2 monolayer, performing operations on a well-defined valley qubit. We show how to confine an electron in a gate-induced quantum dot within the monolayer, and to perform the not operation on its valley degree of freedom. The operations are carried out all electrically via modulation of the confinement potential by oscillating voltages applied to the local gates. Such quantum dot structure is modeled realistically. Through these simulations we investigate the possibility of realization of a valley qubit in analogy with a realization of the spin qubit. We accurately model the potential inside the nanodevice accounting for proper boundary conditions on the gates and space-dependent materials permittivity by solving the generalized Poisson's equation. The time evolution of the system is supported by realistic self-consistent Poisson-Schrödinger tight-binding calculations. The tight-binding calculations are further confirmed by simulations within the effective continuum model.

  1. Tunable Electrical and Optical Characteristics in Monolayer Graphene and Few-Layer MoS2 Heterostructure Devices.

    Science.gov (United States)

    Rathi, Servin; Lee, Inyeal; Lim, Dongsuk; Wang, Jianwei; Ochiai, Yuichi; Aoki, Nobuyuki; Watanabe, Kenji; Taniguchi, Takashi; Lee, Gwan-Hyoung; Yu, Young-Jun; Kim, Philip; Kim, Gil-Ho

    2015-08-12

    Lateral and vertical two-dimensional heterostructure devices, in particular graphene-MoS2, have attracted profound interest as they offer additional functionalities over normal two-dimensional devices. Here, we have carried out electrical and optical characterization of graphene-MoS2 heterostructure. The few-layer MoS2 devices with metal electrode at one end and monolayer graphene electrode at the other end show nonlinearity in drain current with drain voltage sweep due to asymmetrical Schottky barrier height at the contacts and can be modulated with an external gate field. The doping effect of MoS2 on graphene was observed as double Dirac points in the transfer characteristics of the graphene field-effect transistor (FET) with a few-layer MoS2 overlapping the middle part of the channel, whereas the underlapping of graphene have negligible effect on MoS2 FET characteristics, which showed typical n-type behavior. The heterostructure also exhibits a strongest optical response for 520 nm wavelength, which decreases with higher wavelengths. Another distinct feature observed in the heterostructure is the peak in the photocurrent around zero gate voltage. This peak is distinguished from conventional MoS2 FETs, which show a continuous increase in photocurrent with back-gate voltage. These results offer significant insight and further enhance the understanding of the graphene-MoS2 heterostructure.

  2. Large Work Function Modulation of Monolayer MoS2 by Ambient Gases.

    Science.gov (United States)

    Lee, Si Young; Kim, Un Jeong; Chung, JaeGwan; Nam, Honggi; Jeong, Hye Yun; Han, Gang Hee; Kim, Hyun; Oh, Hye Min; Lee, Hyangsook; Kim, Hyochul; Roh, Young-Geun; Kim, Jineun; Hwang, Sung Woo; Park, Yeonsang; Lee, Young Hee

    2016-06-28

    Although two-dimensional monolayer transition-metal dichalcogenides reveal numerous unique features that are inaccessible in bulk materials, their intrinsic properties are often obscured by environmental effects. Among them, work function, which is the energy required to extract an electron from a material to vacuum, is one critical parameter in electronic/optoelectronic devices. Here, we report a large work function modulation in MoS2 via ambient gases. The work function was measured by an in situ Kelvin probe technique and further confirmed by ultraviolet photoemission spectroscopy and theoretical calculations. A measured work function of 4.04 eV in vacuum was converted to 4.47 eV with O2 exposure, which is comparable with a large variation in graphene. The homojunction diode by partially passivating a transistor reveals an ideal junction with an ideality factor of almost one and perfect electrical reversibility. The estimated depletion width obtained from photocurrent mapping was ∼200 nm, which is much narrower than bulk semiconductors.

  3. Compressive strain induced enhancement in thermoelectric-power-factor in monolayer MoS2 nanosheet

    International Nuclear Information System (INIS)

    Dimple; Jena, Nityasagar; De Sarkar, Abir

    2017-01-01

    Strain and temperature induced tunability in the thermoelectric properties in monolayer MoS 2 (ML-MoS 2 ) has been demonstrated using density functional theory coupled to semi-classical Boltzmann transport theory. Compressive strain, in general and uniaxial compressive strain (along the zig-zag direction), in particular, is found to be most effective in enhancing the thermoelectric power factor, owing to the higher electronic mobility and its sensitivity to lattice compression along this direction. Variation in the Seebeck coefficient and electronic band gap with strain is found to follow the Goldsmid–Sharp relation. n-type doping is found to raise the relaxation time-scaled thermoelectric power factor higher than p-type doping and this divide widens with increasing temperature. The relaxation time-scaled thermoelectric power factor in optimally n-doped ML-MoS 2 is found to undergo maximal enhancement under the application of 3% uniaxial compressive strain along the zig-zag direction, when both the ( direct ) electronic band gap and the Seebeck coefficient reach their maximum, while the electron mobility drops down drastically from 73.08 to 44.15 cm 2 V −1 s −1 . Such strain sensitive thermoelectric responses in ML-MoS 2 could open doorways for a variety of applications in emerging areas in 2D-thermoelectrics, such as on-chip thermoelectric power generation and waste thermal energy harvesting. (paper)

  4. Valley- and spin-polarized oscillatory magneto-optical absorption in monolayer MoS2 quantum rings

    Science.gov (United States)

    Oliveira, D.; Villegas-Lelovsky, L.; Soler, M. A. G.; Qu, Fanyao

    2018-03-01

    Besides optical valley selectivity, strong spin-orbit interaction along with Berry curvature effects also leads to unconventional valley- and spin-polarized Landau levels in monolayer transition metal dichalcogenides (TMDCs) under a perpendicular magnetic field. We find that these unique properties are inherited to the magneto-optical absorption spectrum of the TMDC quantum rings (QRs). In addition, it is robust against variation of the magnetic flux and of the QR geometry. In stark contrast to the monolayer bulk material, the MoS2 QRs manifest themselves in both the optical valley selectivity and unprecedented size tunability of the frequency of the light absorbed. We also find that when the magnetic field setup is changed, the phase transition from Aharonov-Bohm (AB) quantum interference to aperiodic oscillation of magneto-optical absorption spectrum takes place. The exciton spectrum in a realistic finite thickness MoS2 QR is also discussed.

  5. Origin of the n -type and p -type conductivity of MoS 2 monolayers on a SiO 2 substrate

    KAUST Repository

    Dolui, Kapildeb; Rungger, Ivan; Sanvito, Stefano

    2013-01-01

    Ab initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO 2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect

  6. First-principles studies of Te line-ordered alloys in a MoS2 monolayer

    Science.gov (United States)

    Andriambelaza, N. F.; Mapasha, R. E.; Chetty, N.

    2018-04-01

    The thermodynamic stability, structural and electronic properties of Te line-ordered alloys are investigated using density functional theory (DFT) methods. Thirty four possible Te line-ordered alloy configurations are found in a 5×5 supercell of a MoS2 monolayer. The calculated formation energies show that the Te line-ordered alloy configurations are thermodynamically stable at 0 K and agree very well with the random alloys. The lowest energy configurations at each concentration correspond to the configuration where the Te atom rows are far apart from each other (avoiding clustering) within the supercell. The variation of the lattice constant at different concentrations obey Vegard's law. The Te line-ordered alloys fine tune the band gap of a MoS2 monolayer although deviating from linearity behavior. Our results suggest that the Te line-ordered alloys can be an effective way to modulate the band gap of a MoS2 monolayer for nanoelectronic, optoelectronic and nanophotonic applications.

  7. Unravelling merging behaviors and electrostatic properties of CVD-grown monolayer MoS2 domains

    International Nuclear Information System (INIS)

    Hao, Song; Yang, Bingchu; Gao, Yongli

    2016-01-01

    The presence of grain boundaries is inevitable for chemical vapor deposition (CVD)-grown MoS 2 domains owing to various merging behaviors, which greatly limits its potential applications in novel electronic and optoelectronic devices. It is therefore of great significance to unravel the merging behaviors of the synthesized polygon shape MoS 2 domains. Here we provide systematic investigations of merging behaviors and electrostatic properties of CVD-grown polycrystalline MoS 2 crystals by multiple means. Morphological results exhibit various polygon shape features, ascribed to polycrystalline crystals merged with triangle shape MoS 2 single crystals. The thickness of triangle and polygon shape MoS 2 crystals is identical manifested by Raman intensity and peak position mappings. Three merging behaviors are proposed to illustrate the formation mechanisms of observed various polygon shaped MoS 2 crystals. The combined photoemission electron microscopy and kelvin probe force microscopy results reveal that the surface potential of perfect merged crystals is identical, which has an important implication for fabricating MoS 2 -based devices.

  8. CMOS-compatible batch processing of monolayer MoS2 MOSFETs

    Science.gov (United States)

    Xiong, Kuanchen; Kim, Hyun; Marstell, Roderick J.; Göritz, Alexander; Wipf, Christian; Li, Lei; Park, Ji-Hoon; Luo, Xi; Wietstruck, Matthias; Madjar, Asher; Strandwitz, Nicholas C.; Kaynak, Mehmet; Lee, Young Hee; Hwang, James C. M.

    2018-04-01

    Thousands of high-performance 2D metal-oxide-semiconductor field effect transistors (MOSFETs) were fabricated on wafer-scale chemical vapor deposited MoS2 with fully-CMOS-compatible processes such as photolithography and aluminum metallurgy. The yield was greater than 50% in terms of effective gate control with less-than-10 V threshold voltage, even for MOSFETs having deep-submicron gate length. The large number of fabricated MOSFETs allowed statistics to be gathered and the main yield limiter to be attributed to the weak adhesion between the transferred MoS2 and the substrate. With cut-off frequencies approaching the gigahertz range, the performances of the MOSFETs were comparable to that of state-of-the-art MoS2 MOSFETs, whether the MoS2 was grown by a thin-film process or exfoliated from a bulk crystal.

  9. Grain size effect of monolayer MoS2 transistors characterized by second harmonic generation mapping

    KAUST Repository

    Lin, Chih-Pin

    2015-08-27

    We investigated different CVD-synthesized MoS2 films, aiming to correlate the device characteristics with the grain size. The grain size of MoS2 can be precisely characterized through nondestructive second harmonic generation mapping based on the degree of inversion symmetry. The devices with larger grains at the channel region show improved on/off current ratio, which can be explained by the less carrier scattering caused by the grain boundaries.

  10. Adsorption of alkali, alkaline-earth, simple and 3d transition metal, and nonmetal atoms on monolayer MoS2

    Directory of Open Access Journals (Sweden)

    X. D. Li

    2015-05-01

    Full Text Available Single adsorption of different atoms on pristine two-dimensional monolayer MoS2 have been systematically investigated by using density functional calculations with van der Waals correction. The adatoms cover alkali metals, alkaline earth metals, main group metal, 3d-transition metals, coinage metal and nonmetal atoms. Depending on the adatom type, metallic, semimetallic or semiconducting behavior can be found in direct bandgap monolayer MoS2. Additionally, local or long-range magnetic moments of two-dimensional MoS2 sheet can also attained through the adsorption. The detailed atomic-scale knowledge of single adsorption on MoS2 monolayer is important not only for the sake of a theoretical understanding, but also device level deposition technological application.

  11. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    KAUST Repository

    Park, Soohyung; Mutz, Niklas; Schultz, Thorsten; Blumstengel, Sylke; Han, Ali; Aljarb, Areej; Li, Lain-Jong; List-Kratochvil, Emil J W; Amsalem, Patrick; Koch, Norbert

    2018-01-01

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron–hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  12. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    KAUST Repository

    Park, Soohyung

    2018-01-03

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron–hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  13. Direct determination of monolayer MoS2 and WSe2 exciton binding energies on insulating and metallic substrates

    Science.gov (United States)

    Park, Soohyung; Mutz, Niklas; Schultz, Thorsten; Blumstengel, Sylke; Han, Ali; Aljarb, Areej; Li, Lain-Jong; List-Kratochvil, Emil J. W.; Amsalem, Patrick; Koch, Norbert

    2018-04-01

    Understanding the excitonic nature of excited states in two-dimensional (2D) transition-metal dichalcogenides (TMDCs) is of key importance to make use of their optical and charge transport properties in optoelectronic applications. We contribute to this by the direct experimental determination of the exciton binding energy (E b,exc) of monolayer MoS2 and WSe2 on two fundamentally different substrates, i.e. the insulator sapphire and the metal gold. By combining angle-resolved direct and inverse photoelectron spectroscopy we measure the electronic band gap (E g), and by reflectance measurements the optical excitonic band gap (E exc). The difference of these two energies is E b,exc. The values of E g and E b,exc are 2.11 eV and 240 meV for MoS2 on sapphire, and 1.89 eV and 240 meV for WSe2 on sapphire. On Au E b,exc is decreased to 90 meV and 140 meV for MoS2 and WSe2, respectively. The significant E b,exc reduction is primarily due to a reduction of E g resulting from enhanced screening by the metal, while E exc is barely decreased for the metal support. Energy level diagrams determined at the K-point of the 2D TMDCs Brillouin zone show that MoS2 has more p-type character on Au as compared to sapphire, while WSe2 appears close to intrinsic on both. These results demonstrate that the impact of the dielectric environment of 2D TMDCs is more pronounced for individual charge carriers than for a correlated electron-hole pair, i.e. the exciton. A proper dielectric surrounding design for such 2D semiconductors can therefore be used to facilitate superior optoelectronic device function.

  14. Origin of the n -type and p -type conductivity of MoS 2 monolayers on a SiO 2 substrate

    KAUST Repository

    Dolui, Kapildeb

    2013-04-02

    Ab initio density functional theory calculations are performed to study the electronic properties of a MoS2 monolayer deposited over a SiO 2 substrate in the presence of interface impurities and defects. When MoS2 is placed on a defect-free substrate, the oxide plays an insignificant role since the conduction band top and the valence band minimum of MoS2 are located approximately in the middle of the SiO2 band gap. However, if Na impurities and O dangling bonds are introduced at the SiO2 surface, these lead to localized states, which modulate the conductivity of the MoS2 monolayer from n- to p-type. Our results show that the conductive properties of MoS2 deposited on SiO 2 are mainly determined by the detailed structure of the MoS 2/SiO2 interface, and suggest that doping the substrate can represent a viable strategy for engineering MoS2-based devices. © 2013 American Physical Society.

  15. Band structure and orbital character of monolayer MoS2 with eleven-band tight-binding model

    Science.gov (United States)

    Shahriari, Majid; Ghalambor Dezfuli, Abdolmohammad; Sabaeian, Mohammad

    2018-02-01

    In this paper, based on a tight-binding (TB) model, first we present the calculations of eigenvalues as band structure and then present the eigenvectors as probability amplitude for finding electron in atomic orbitals for monolayer MoS2 in the first Brillouin zone. In these calculations we are considering hopping processes between the nearest-neighbor Mo-S, the next nearest-neighbor in-plan Mo-Mo, and the next nearest-neighbor in-plan and out-of-plan S-S atoms in a three-atom based unit cell of two-dimensional rhombic MoS2. The hopping integrals have been solved in terms of Slater-Koster and crystal field parameters. These parameters are calculated by comparing TB model with the density function theory (DFT) in the high-symmetry k-points (i.e. the K- and Γ-points). In our TB model all the 4d Mo orbitals and the 3p S orbitals are considered and detailed analysis of the orbital character of each energy level at the main high-symmetry points of the Brillouin zone is described. In comparison with DFT calculations, our results of TB model show a very good agreement for bands near the Fermi level. However for other bands which are far from the Fermi level, some discrepancies between our TB model and DFT calculations are observed. Upon the accuracy of Slater-Koster and crystal field parameters, on the contrary of DFT, our model provide enough accuracy to calculate all allowed transitions between energy bands that are very crucial for investigating the linear and nonlinear optical properties of monolayer MoS2.

  16. Tuning the Electronic Properties, Effective Mass and Carrier Mobility of MoS2 Monolayer by Strain Engineering: First-Principle Calculations

    Science.gov (United States)

    Phuc, Huynh V.; Hieu, Nguyen N.; Hoi, Bui D.; Hieu, Nguyen V.; Thu, Tran V.; Hung, Nguyen M.; Ilyasov, Victor V.; Poklonski, Nikolai A.; Nguyen, Chuong V.

    2018-01-01

    In this paper, we studied the electronic properties, effective masses, and carrier mobility of monolayer MoS_2 using density functional theory calculations. The carrier mobility was considered by means of ab initio calculations using the Boltzmann transport equation coupled with deformation potential theory. The effects of mechanical biaxial strain on the electronic properties, effective mass, and carrier mobility of monolayer MoS_2 were also investigated. It is demonstrated that the electronic properties, such as band structure and density of state, of monolayer MoS_2 are very sensitive to biaxial strain, leading to a direct-indirect transition in semiconductor monolayer MoS_2. Moreover, we found that the carrier mobility and effective mass can be enhanced significantly by biaxial strain and by lowering temperature. The electron mobility increases over 12 times with a biaxial strain of 10%, while the carrier mobility gradually decreases with increasing temperature. These results are very useful for the future nanotechnology, and they make monolayer MoS_2 a promising candidate for application in nanoelectronic and optoelectronic devices.

  17. Valley- and spin-filter in monolayer MoS2

    Science.gov (United States)

    Majidi, Leyla; Zare, Moslem; Asgari, Reza

    2014-12-01

    We propose a valley- and spin-filter based on a normal/ferromagnetic/normal molybdenum disulfide (MoS2) junction where the polarizations of the valley and the spin can be inverted by reversing the direction of the exchange field in the ferromagnetic region. By using a modified Dirac Hamiltonian and the scattering formalism, we find that the polarizations can be tuned by applying a gate voltage and changing the exchange field in the structure. We further demonstrate that the presence of a topological term (β) in the Hamiltonian results in an enhancement or a reduction of the charge conductance depending on the value of the exchange field.

  18. Stability of defects in monolayer MoS_2 and their interaction with O_2 molecule: A first-principles study

    International Nuclear Information System (INIS)

    Zhao, B.; Shang, C.; Qi, N.; Chen, Z.Y.; Chen, Z.Q.

    2017-01-01

    Highlights: • Defects can exist steadily in monolayer MoS_2 and break surface chemical inertness. • Activated surfaces are beneficial to the adsorption of O_2 through the introduction of defect levels. • Adsorbed O_2 on defective surface can dissociate with low activation energy barrier. • Defective system may be a potential substrate to design MoS_2-based gas sensor or catalysts. - Abstract: The stability of various defects in monolayer MoS_2, as well as their interactions with free O_2 molecules were investigated by density functional theory (DFT) calculations coupled with the nudged elastic band (NEB) method. The defects including S vacancy (monosulfur and disulfue vacancies), antisite defect (Mo_S) and external Mo atom can exist steadily in monolayer MoS_2, and introduce defect levels in these defective systems, which breaks the surface chemical inertness and significantly enhances the adsorption capacity for free O_2. The adsorption energy calculations and electronic properties analysis suggest that there is a strong interaction between O_2 molecule and defective system. The adsorbed O_2 on the defective surface can dissociate with a lower activation energy barrier, which produce two active oxygen atoms. Especially, two Mo atoms can occupy one Mo lattice site, and adsorbed O_2 on the top of the Mo atom can then dissociate directly with the lowest activation energy barrier. Hence, our work may provide useful information to design MoS_2-based gas sensor or catalysts.

  19. Optically Discriminating Carrier-Induced Quasiparticle Band Gap and Exciton Energy Renormalization in Monolayer MoS_{2}.

    Science.gov (United States)

    Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J; Schuck, P James

    2017-08-25

    Optoelectronic excitations in monolayer MoS_{2} manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena-critical to both many-body physics exploration and device applications-presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.

  20. Optically Discriminating Carrier-Induced Quasiparticle Band Gap and Exciton Energy Renormalization in Monolayer MoS2

    Science.gov (United States)

    Yao, Kaiyuan; Yan, Aiming; Kahn, Salman; Suslu, Aslihan; Liang, Yufeng; Barnard, Edward S.; Tongay, Sefaattin; Zettl, Alex; Borys, Nicholas J.; Schuck, P. James

    2017-08-01

    Optoelectronic excitations in monolayer MoS2 manifest from a hierarchy of electrically tunable, Coulombic free-carrier and excitonic many-body phenomena. Investigating the fundamental interactions underpinning these phenomena—critical to both many-body physics exploration and device applications—presents challenges, however, due to a complex balance of competing optoelectronic effects and interdependent properties. Here, optical detection of bound- and free-carrier photoexcitations is used to directly quantify carrier-induced changes of the quasiparticle band gap and exciton binding energies. The results explicitly disentangle the competing effects and highlight longstanding theoretical predictions of large carrier-induced band gap and exciton renormalization in two-dimensional semiconductors.

  1. Enhanced magnetic anisotropies of single transition-metal adatoms on a defective MoS2 monolayer.

    Science.gov (United States)

    Cong, W T; Tang, Z; Zhao, X G; Chu, J H

    2015-03-23

    Single magnetic atoms absorbed on an atomically thin layer represent the ultimate limit of bit miniaturization for data storage. To approach the limit, a critical step is to find an appropriate material system with high chemical stability and large magnetic anisotropic energy. Here, on the basis of first-principles calculations and the spin-orbit coupling theory, it is elucidated that the transition-metal Mn and Fe atoms absorbed on disulfur vacancies of MoS2 monolayers are very promising candidates. It is analysed that these absorption systems are of not only high chemical stabilities but also much enhanced magnetic anisotropies and particularly the easy magnetization axis is changed from the in-plane one for Mn to the out-of-plane one for Fe by a symmetry-lowering Jahn-Teller distortion. The results point out a promising direction to achieve the ultimate goal of single adatomic magnets with utilizing the defective atomically thin layers.

  2. Substrate effect on the growth of monolayer dendritic MoS2 on LaAlO3 (100) and its electrocatalytic applications

    Science.gov (United States)

    Li, Cong; Zhang, Yu; Ji, Qingqing; Shi, Jianping; Chen, Zhaolong; Zhou, Xiebo; Fang, Qiyi; Zhang, Yanfeng

    2016-09-01

    In accommodating the rapid development of two-dimensional (2D) nanomaterials, chemical vapor deposition (CVD) has become a powerful tool for their batch production with desirable characteristics, such as high crystal quality, large domain size, and tunable domain shape. The crystallinity and morphology of the growth substrates usually play a crucial role in the CVD synthesis of high-quality monolayer MoS2, a kind of 2D layered material which has ignited huge interest in nanoelectronics, optoelectronics and energy harvesting, etc. Herein, by utilizing a low-pressure chemical vapor deposition (LPCVD) system, we demonstrate a regioselective synthesis of monolayer MoS2 on the corrugated single-crystal LaAlO3 (100) with twin crystal domains induced by the second-order phase transition. Unique dendritic morphologies with tunable nucleation densities were obtained in different regions of the undulated substrate, presenting a strong substrate modulation effect. Interestingly, the exposure of abundant active edge sites along with the rather high nucleation density makes the monolayer dendritic MoS2 a good electrocatalyst for hydrogen evolution reaction (HER), particularly featured by a rather high exchange current density (70.4 μA cm-2). Furthermore, uniform monolayer MoS2 films can also be obtained and transferred to arbitrary substrates. We believe that this work provides a new growth system for the controllable synthesis of 2D layered materials with unique dendritic morphologies, as well as its great application potential in energy conversion and harvesting.

  3. Epitaxial growth of a monolayer WSe2-MoS2 lateral p-n junction with an atomically sharp interface

    KAUST Repository

    Li, Ming Yang

    2015-07-30

    Two-dimensional transition metal dichalcogenides (TMDCs) such as molybdenum sulfide MoS2 and tungsten sulfide WSe2 have potential applications in electronics because they exhibit high on-off current ratios and distinctive electro-optical properties. Spatially connected TMDC lateral heterojunctions are key components for constructing monolayer p-n rectifying diodes, light-emitting diodes, photovoltaic devices, and bipolar junction transistors. However, such structures are not readily prepared via the layer-stacking techniques, and direct growth favors the thermodynamically preferred TMDC alloys. We report the two-step epitaxial growth of lateral WSe2-MoS2 heterojunction, where the edge of WSe2 induces the epitaxial MoS2 growth despite a large lattice mismatch. The epitaxial growth process offers a controllable method to obtain lateral heterojunction with an atomically sharp interface.

  4. Strain tunable magnetic properties of 3d transition-metal ion doped monolayer MoS2: A first-principles study

    Science.gov (United States)

    Zhu, Yupeng; Liang, Xiao; Qin, Jun; Deng, Longjiang; Bi, Lei

    2018-05-01

    In this article, a systematic study on the magnetic properties and strain tunability of 3d transition metal ions (Mn, Fe, Co, Ni) doped MoS2 using first-principles calculations is performed. Antiferromagnetic coupling is observed between Mn, Fe ions and the nearest neighbor Mo ions; whereas ferromagnetic coupling is observed in Co and Ni systems. It is also shown that by applying biaxial tensile strain, a significant change of the magnetic moment is observed in all transition metal doped MoS2 materials with a strain threshold. The changes of total magnetic moment have different mechanisms for different doping systems including an abrupt change of the bond lengths, charge transfer and strain induced structural anisotropy. These results demonstrate applying strain as a promising method for tuning the magnetic properties in transition metal ion doped monolayer MoS2.

  5. Impact and Origin of Interface States in MOS Capacitor with Monolayer MoS2 and HfO2 High-k Dielectric.

    Science.gov (United States)

    Xia, Pengkun; Feng, Xuewei; Ng, Rui Jie; Wang, Shijie; Chi, Dongzhi; Li, Cequn; He, Zhubing; Liu, Xinke; Ang, Kah-Wee

    2017-01-13

    Two-dimensional layered semiconductors such as molybdenum disulfide (MoS 2 ) at the quantum limit are promising material for nanoelectronics and optoelectronics applications. Understanding the interface properties between the atomically thin MoS 2 channel and gate dielectric is fundamentally important for enhancing the carrier transport properties. Here, we investigate the frequency dispersion mechanism in a metal-oxide-semiconductor capacitor (MOSCAP) with a monolayer MoS 2 and an ultra-thin HfO 2 high-k gate dielectric. We show that the existence of sulfur vacancies at the MoS 2 -HfO 2 interface is responsible for the generation of interface states with a density (D it ) reaching ~7.03 × 10 11  cm -2  eV -1 . This is evidenced by a deficit S:Mo ratio of ~1.96 using X-ray photoelectron spectroscopy (XPS) analysis, which deviates from its ideal stoichiometric value. First-principles calculations within the density-functional theory framework further confirms the presence of trap states due to sulfur deficiency, which exist within the MoS 2 bandgap. This corroborates to a voltage-dependent frequency dispersion of ~11.5% at weak accumulation which decreases monotonically to ~9.0% at strong accumulation as the Fermi level moves away from the mid-gap trap states. Further reduction in D it could be achieved by thermally diffusing S atoms to the MoS 2 -HfO 2 interface to annihilate the vacancies. This work provides an insight into the interface properties for enabling the development of MoS 2 devices with carrier transport enhancement.

  6. Optical spectroscopy and imaging of the higher energy excitons and bandgap of monolayer MoS2

    Science.gov (United States)

    Borys, Nicholas; Bao, Wei; Barnard, Edward; Ko, Changhyun; Tongay, Sefaatin; Wu, Junqiao; Yang, Li; Schuck, P. James

    Monolayer MoS2 (ML-MoS2) exhibits a rich manifold of excitons that dictate optoelectronic performance and functionality. Disentangling these states, which include the quasi-particle bandgap, is critical for developing 2D optoelectronic devices that operate beyond the optical bandgap. Whereas photoluminescence (PL) spectroscopy only probes the lowest-energy radiative state and absorption spectroscopy fails to discriminate energetically degenerate states, photoluminescence excitation (PLE) spectroscopy selectively probes only the excited states that thermalize to the emissive ground state exciton. Using PLE spectroscopy of ML-MoS2, we identify the Rydberg series of the exciton A and exciton B states as well as signatures of the quasi-particle bandgap and coupling between the indirect C exciton and the lowest-energy A exciton, which have eluded previous PLE studies. The assignment of these states is confirmed with density functional theory. Mapping the PLE spectrum reveals spatial variations of the higher-energy exciton manifold and quasi-particle bandgap which mirror the heterogeneity in the PL but also indicate variations in local exciton thermalization processes and chemical potentials.

  7. Optically active charge transfer in hybrids of Alq3 nanoparticles and MoS2 monolayer

    Science.gov (United States)

    Ghimire, Ganesh; Dhakal, Krishna P.; Neupane, Guru P.; Jo, Seong Gi; Kim, Hyun; Seo, Changwon; Lee, Young Hee; Joo, Jinsoo; Kim, Jeongyong

    2017-05-01

    Organic/inorganic hybrid structures have been widely studied because of their enhanced physical and chemical properties. Monolayers of transition metal dichalcogenides (1L-TMDs) and organic nanoparticles can provide a hybridization configuration between zero- and two-dimensional systems with the advantages of convenient preparation and strong interface interaction. Here, we present such a hybrid system made by dispersing π-conjugated organic (tris (8-hydroxyquinoline) aluminum(III)) (Alq3) nanoparticles (NPs) on 1L-MoS2. Hybrids of Alq3 NP/1L-MoS2 exhibited a two-fold increase in the photoluminescence of Alq3 NPs on 1L-MoS2 and the n-doping effect of 1L-MoS2, and these spectral and electronic modifications were attributed to the charge transfer between Alq3 NPs and 1L-MoS2. Our results suggested that a hybrid of organic NPs/1L-TMD can offer a convenient platform to study the interface interactions between organic and inorganic nano objects and to engineer optoelectronic devices with enhanced performance.

  8. Improvement of gas-adsorption performances of Ag-functionalized monolayer MoS2 surfaces: A first-principles study

    Science.gov (United States)

    Song, Jian; Lou, Huan

    2018-05-01

    Investigations of the adsorptions of representative gases (NO2, NH3, H2S, SO2, CO, and HCHO) on different Ag-functionalized monolayer MoS2 surfaces were performed by first principles methods. The adsorption configurations, adsorption energies, electronic structure properties, and charge transfer were calculated, and the results show that the adsorption activities to gases of monolayer MoS2 are dramatically enhanced by the Ag-modification. The Ag-modified perfect MoS2 (Ag-P) and MoS2 with S-vacancy (Ag-Vs) substrates exhibit a more superior adsorption activity to NO2 than other gases, which is consistent with the experimental reports. The charge transfer processes of different molecules adsorbed on different surfaces exhibit various characteristics, with potential benefits to gas selectivity. For instance, the NO2 and SO2 obtain more electrons from both Ag-P and Ag-Vs substrates but the NH3 and H2S donate more electrons to materials than others. In addition, the CO and HCHO possess totally opposite charge transfer directs on both substrates, respectively. The BS and PDOS calculations show that semiconductor types of gas/Ag-MoS2 systems are more determined by the metal-functionalization of material, and the directs and numbers of charge transfer process between gases and adsorbents can cause the increase or decline of material resistance theoretically, which is helpful to gas detection and distinction. The further analysis indicates suitable co-operation between the gain-lost electron ability of gas and metallicity of featuring metal might adjust the resistivity of complex and contribute to new thought for metal-functionalization. Our works provide new valuable ideas and theoretical foundation for the potential improvement of MoS2-based gas sensor performances, such as sensitivity and selectivity.

  9. Chemical vapor deposited monolayer MoS2 top-gate MOSFET with atomic-layer-deposited ZrO2 as gate dielectric

    Science.gov (United States)

    Hu, Yaoqiao; Jiang, Huaxing; Lau, Kei May; Li, Qiang

    2018-04-01

    For the first time, ZrO2 dielectric deposition on pristine monolayer MoS2 by atomic layer deposition (ALD) is demonstrated and ZrO2/MoS2 top-gate MOSFETs have been fabricated. ALD ZrO2 overcoat, like other high-k oxides such as HfO2 and Al2O3, was shown to enhance the MoS2 channel mobility. As a result, an on/off current ratio of over 107, a subthreshold slope of 276 mV dec-1, and a field-effect electron mobility of 12.1 cm2 V-1 s-1 have been achieved. The maximum drain current of the MOSFET with a top-gate length of 4 μm and a source/drain spacing of 9 μm is measured to be 1.4 μA μm-1 at V DS = 5 V. The gate leakage current is below 10-2 A cm-2 under a gate bias of 10 V. A high dielectric breakdown field of 4.9 MV cm-1 is obtained. Gate hysteresis and frequency-dependent capacitance-voltage measurements were also performed to characterize the ZrO2/MoS2 interface quality, which yielded an interface state density of ˜3 × 1012 cm-2 eV-1.

  10. Observation of Wigner crystal phase and ripplon-limited mobility behavior in monolayer CVD MoS2 with grain boundary

    Science.gov (United States)

    Chen, Jyun-Hong; Zhong, Yuan-Liang; Li, Lain-Jong; Chen, Chii-Dong

    2018-06-01

    Two-dimensional electron gas (2DEG) is crucial in condensed matter physics and is present on the surface of liquid helium and at the interface of semiconductors. Monolayer MoS2 of 2D materials also contains 2DEG in an atomic layer as a field effect transistor (FET) ultrathin channel. In this study, we synthesized double triangular MoS2 through a chemical vapor deposition method to obtain grain boundaries for forming a ripple structure in the FET channel. When the temperature was higher than approximately 175 K, the temperature dependence of the electron mobility μ was consistent with those in previous experiments and theoretical predictions. When the temperature was lower than approximately 175 K, the mobility behavior decreased with the temperature; this finding was also consistent with that of the previous experiments. We are the first research group to explain the decreasing mobility behavior by using the Wigner crystal phase and to discover the temperature independence of ripplon-limited mobility behavior at lower temperatures. Although these mobility behaviors have been studied on the surface of liquid helium through theories and experiments, they have not been previously analyzed in 2D materials and semiconductors. We are the first research group to report the similar temperature-dependent mobility behavior of the surface of liquid helium and the monolayer MoS2.

  11. A real-time Raman spectroscopy study of the dynamics of laser-thinning of MoS2 flakes to monolayers

    Science.gov (United States)

    Gu, Enyao; Wang, Qiyuan; Zhang, Youwei; Cong, Chunxiao; Hu, Laigui; Tian, Pengfei; Liu, Ran; Zhang, Shi-Li; Qiu, Zhi-Jun

    2017-12-01

    Transition metal dichalcogenides (TMDCs) in monolayer form have attracted a great deal of attention for electronic and optical applications. Compared to mechanical exfoliation and chemical synthesis, laser thinning is a novel and unique "on-demand" approach to fabricate monolayers or pattern desired shapes with high controllability and reproducibility. Its successful demonstration motivates a further exploration of the dynamic behaviour of this local thinning process. Here, we present an in-situ study of void formation by laser irradiation with the assistance of temporal Raman evolution. In the analysis of time-dependent Raman intensity, an empirical formula relating void size to laser power and exposure time is established. Void in thinner MoS2 flakes grows faster than in thicker ones as a result of reduced sublimation temperature in the two-dimensional (2D) materials. Our study provides useful insights into the laser-thinning dynamics of 2D TMDCs and guidelines for an effective control over the void formation.

  12. Plasmon-modulated bistable four-wave mixing signals from a metal nanoparticle-monolayer MoS2 nanoresonator hybrid system

    Science.gov (United States)

    Li, Jian-Bo; Tan, Xiao-Long; Ma, Jin-Hong; Xu, Si-Qin; Kuang, Zhi-Wei; Liang, Shan; Xiao, Si; He, Meng-Dong; Kim, Nam-Chol; Luo, Jian-Hua; Chen, Li-Qun

    2018-06-01

    We present a study for the impact of exciton-phonon and exciton-plasmon interactions on bistable four-wave mixing (FWM) signals in a metal nanoparticle (MNP)-monolayer MoS2 nanoresonator hybrid system. Via tracing the FWM response we predict that, depending on the excitation conditions and the system parameters, such a system exhibits ‘U-shaped’ bistable FWM signals. We also map out bistability phase diagrams within the system’s parameter space. Especially, we show that compared with the exciton-phonon interaction, a strong exciton-plasmon interaction plays a dominant role in the generation of optical bistability, and the bistable region will be greatly broadened by shortening the distance between the MNP and the monolayer MoS2 nanoresonator. In the weak exciton-plasmon coupling regime, the impact of exciton-phonon interaction on optical bistability will become obvious. The scheme proposed may be used for building optical switches and logic-gate devices for optical computing and quantum information processing.

  13. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan

    2014-02-05

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  14. Study of interfacial strain at the α-Al2O3/monolayer MoS2 interface by first principle calculations

    Science.gov (United States)

    Yu, Sheng; Ran, Shunjie; Zhu, Hao; Eshun, Kwesi; Shi, Chen; Jiang, Kai; Gu, Kunming; Seo, Felix Jaetae; Li, Qiliang

    2018-01-01

    With the advances in two-dimensional (2D) transition metal dichalcogenides (TMDCs) based metal-oxide-semiconductor field-effect transistor (MOSFET), the interface between the semiconductor channel and gate dielectrics has received considerable attention due to its significant impacts on the morphology and charge transport of the devices. In this study, first principle calculations were utilized to investigate the strain effect induced by the interface between crystalline α-Al2O3 (0001)/h-MoS2 monolayer. The results indicate that the 1.3 nm Al2O3 can induce a 0.3% tensile strain on the MoS2 monolayer. The strain monotonically increases with thicker dielectric layers, inducing more significant impact on the properties of MoS2. In addition, the study on temperature effect indicates that the increasing temperature induces monotonic lattice expansion. This study clearly indicates that the dielectric engineering can effectively tune the properties of 2D TMDCs, which is very attractive for nanoelectronics.

  15. First principles prediction of the magnetic properties of Fe-X6 (X = S, C, N, O, F) doped monolayer MoS2

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

    2014-01-01

    Using first-principles calculations, we have investigated the electronic structure and magnetic properties of Fe-X 6 clusters (X = S, C, N, O, and F) incorporated in 4 4 monolayer MoS 2, where a Mo atom is substituted by Fe and its nearest S atoms are substituted by C, N, O, and F. Single Fe and Fe-F 6 substituions make the system display half-metallic properties, Fe-C 6 and Fe-N 6 substitutions lead to a spin gapless semiconducting behavior, and Fe-O 6 doped monolayer MoS 2 is semiconducting. Magnetic moments of 1.93, 1.45, 3.18, 2.08, and 2.21...? B are obtained for X = S, C, N, O, and F, respectively. The different electronic and magnetic characters originate from hybridization between the X and Fe/Mo atoms. Our results suggest that cluster doping can be an efficient strategy for exploring two-dimensional diluted magnetic semiconductors.

  16. Plasmon-modulated bistable four-wave mixing signals from a metal nanoparticle-monolayer MoS2 nanoresonator hybrid system.

    Science.gov (United States)

    Li, Jian-Bo; Tan, Xiao-Long; Ma, Jin-Hong; Xu, Si-Qin; Kuang, Zhi-Wei; Liang, Shan; Xiao, Si; He, Meng-Dong; Kim, Nam-Chol; Luo, Jian-Hua; Chen, Li-Qun

    2018-06-22

    We present a study for the impact of exciton-phonon and exciton-plasmon interactions on bistable four-wave mixing (FWM) signals in a metal nanoparticle (MNP)-monolayer MoS 2 nanoresonator hybrid system. Via tracing the FWM response we predict that, depending on the excitation conditions and the system parameters, such a system exhibits 'U-shaped' bistable FWM signals. We also map out bistability phase diagrams within the system's parameter space. Especially, we show that compared with the exciton-phonon interaction, a strong exciton-plasmon interaction plays a dominant role in the generation of optical bistability, and the bistable region will be greatly broadened by shortening the distance between the MNP and the monolayer MoS 2 nanoresonator. In the weak exciton-plasmon coupling regime, the impact of exciton-phonon interaction on optical bistability will become obvious. The scheme proposed may be used for building optical switches and logic-gate devices for optical computing and quantum information processing.

  17. Spin heat capacity of monolayer and AB-stacked bilayer MoS2 in the presence of exchange magnetic field

    Science.gov (United States)

    Hoi, Bui Dinh; Yarmohammadi, Mohsen; Mirabbaszadeh, Kavoos

    2017-04-01

    Dirac theory and Green's function technique are carried out to compute the spin dependent band structures and corresponding electronic heat capacity (EHC) of monolayer (ML) and AB-stacked bilayer (BL) molybdenum disulfide (MoS2) two-dimensional (2D) crystals. We report the influence of induced exchange magnetic field (EMF) by magnetic insulator substrates on these quantities for both structures. The spin-up (down) subband gaps are shifted with EMF from conduction (valence) band to valence (conduction) band at both Dirac points in the ML because of the spin-orbit coupling (SOC) which leads to a critical EMF in the K point and EHC returns to its initial states for both spins. In the BL case, EMF results split states and the decrease (increase) behavior of spin-up (down) subband gaps has been observed at both K and K‧ valleys which is due to the combined effect of SOC and interlayer coupling. For low and high EMFs, EHC of BL MoS2 does not change for spin-up subbands while increases for spin-down subbands.

  18. Valley Zeeman splitting of monolayer MoS2 probed by low-field magnetic circular dichroism spectroscopy at room temperature

    Science.gov (United States)

    Wu, Y. J.; Shen, C.; Tan, Q. H.; Shi, J.; Liu, X. F.; Wu, Z. H.; Zhang, J.; Tan, P. H.; Zheng, H. Z.

    2018-04-01

    The valley Zeeman splitting of monolayer two-dimensional (2D) materials in the magnetic field plays an important role in the valley and spin manipulations. In general, a high magnetic field (6-65 T) and low temperature (2-30 K) were two key measurement conditions to observe the resolvable valley Zeeman splitting of monolayer 2D materials in current reported experiments. In this study, we experimentally demonstrate an effective measurement scheme by employing magnetic circular dichroism (MCD) spectroscopy, which enables us to distinguish the valley Zeeman splitting under a relatively low magnetic field of 1 T at room temperature. MCD peaks related to both A and B excitonic transitions in monolayer MoS2 can be clearly observed. Based on the MCD spectra under different magnetic fields (-3 to 3 T), we obtained the valley Zeeman splitting energy and the g-factors of A and B excitons, respectively. Our results show that MCD spectroscopy is a high-sensitive magneto-optical technique to explore the valley and spin manipulation in 2D materials.

  19. Observation of Wigner crystal phase and ripplon-limited mobility behavior in monolayer CVD MoS2 with grain boundary

    KAUST Repository

    Chen, Jyun-Hong

    2018-03-12

    Two-dimensional electron gas (2DEG) is crucial in condensed matter physics and is present on the surface of liquid helium and at the interface of semiconductors. Monolayer MoS2 of 2D materials also contains 2DEG in an atomic layer as field effect transistor (FET) ultrathin channel. In this study, we synthesized double triangular MoS2 through a chemical vapor deposition method to obtain grain boundaries for forming a ripple structure in FET channel. When the temperature was higher than approximately 175 K, the temperature dependence of the electron mobility μ was consistent with those in previous experiments and theoretical predictions. When the temperature was lower than approximately 175 K, the mobility behavior decreased with the temperature; this finding was also consistent with that of the previous experiments. We are the first research group to explain the decreasing mobility behavior by using the Wigner crystal phase and to discover the temperature independence of ripplon-limited mobility behavior at lower temperatures. Although these mobility behaviors have been studied on the surface of liquid helium through theories and experiments, they have not previously analyzed in 2D materials and semiconductors. We are the first research group to report the similar temperature-dependent mobility behavior of the surface of liquid helium and the monolayer MoS2.

  20. Exploring the electron density localization in single MoS2 monolayers by means of a localize-electrons detector and the quantum theory of atoms in molecules

    Directory of Open Access Journals (Sweden)

    Yosslen Aray

    2017-11-01

    Full Text Available The nature of the electron density localization in a MoS2 monolayer under 0 % to 11% tensile strain has been systematically studied by means of a localized electron detector function and the Quantum Theory of atoms in molecules. At 10% tensile strain, this monolayer become metallic. It was found that for less than 6.5% of applied stress, the same atomic structure of the equilibrium geometry (0% strain is maintained; while over 6.5% strain induces a transformation to a structure where the sulfur atoms placed on the top and bottom layer form S2 groups. The localized electron detector function shows the presence of zones of highly electron delocalization extending throughout the Mo central layer. For less than 10% tensile strain, these zones comprise the BCPs and the remainder CPs in separates regions of the space; while for the structures beyond 10% strain, all the critical points are involved in a region of highly delocalized electrons that extends throughout the material. This dissimilar electron localization pattern is like to that previously reported for semiconductors such as Ge bulk and metallic systems such as transition metals bulk.

  1. Understanding Coulomb Scattering Mechanism in Monolayer MoS2 Channel in the Presence of h-BN Buffer Layer.

    Science.gov (United States)

    Joo, Min-Kyu; Moon, Byoung Hee; Ji, Hyunjin; Han, Gang Hee; Kim, Hyun; Lee, Gwanmu; Lim, Seong Chu; Suh, Dongseok; Lee, Young Hee

    2017-02-08

    As the thickness becomes thinner, the importance of Coulomb scattering in two-dimensional layered materials increases because of the close proximity between channel and interfacial layer and the reduced screening effects. The Coulomb scattering in the channel is usually obscured mainly by the Schottky barrier at the contact in the noise measurements. Here, we report low-temperature (T) noise measurements to understand the Coulomb scattering mechanism in the MoS 2 channel in the presence of h-BN buffer layer on the silicon dioxide (SiO 2 ) insulating layer. One essential measure in the noise analysis is the Coulomb scattering parameter (α SC ) which is different for channel materials and electron excess doping concentrations. This was extracted exclusively from a 4-probe method by eliminating the Schottky contact effect. We found that the presence of h-BN on SiO 2 provides the suppression of α SC twice, the reduction of interfacial traps density by 100 times, and the lowered Schottky barrier noise by 50 times compared to those on SiO 2 at T = 25 K. These improvements enable us to successfully identify the main noise source in the channel, which is the trapping-detrapping process at gate dielectrics rather than the charged impurities localized at the channel, as confirmed by fitting the noise features to the carrier number and correlated mobility fluctuation model. Further, the reduction in contact noise at low temperature in our system is attributed to inhomogeneous distributed Schottky barrier height distribution in the metal-MoS 2 contact region.

  2. Forces and electronic transport in a contact formed by a graphene tip and a defective MoS2 monolayer: a theoretical study

    Science.gov (United States)

    di Felice, D.; Dappe, Y. J.; González, C.

    2018-06-01

    A theoretical study of a graphene-like tip used in atomic force microscopy (AFM) is presented. Based on first principles simulations, we proved the low reactivity of this kind of tip, using a MoS2 monolayer as the testing sample. Our simulations show that the tip–MoS2 interaction is mediated through weak van der Waals forces. Even on the defective monolayer, the interaction is reduced by one order of magnitude with respect to the values obtained using a highly reactive metallic tip. On the pristine monolayer, the S atoms were imaged for large distances together with the substitutional defects which should be observed as brighter spots in non-contact AFM measurements. This result is in contradiction with previous simulations performed with Cu or Si tips where the metallic defects were imaged for much larger distances than the S atoms. For shorter distances, the Mo sites will be brighter even though a vacancy is formed. On the other hand, the largest conductance value is obtained over the defect formed by two Mo atoms occupying a S divacancy when the half-occupied p y -states of the graphene-like tip find a better coupling with d-orbitals of the highest substitutional atom. Due to the weak interaction, no conductance plateau is formed in any of the sites. A great advantage of this tip lies in the absence of atomic transfer between the tip and the sample leading to a more stable AFM measurement. Finally, and as previously shown, we confirm the atomic resolution in a scanning tunneling microscopy simulation using this graphene-based tip.

  3. Observation of Switchable Photoresponse of a Monolayer WSe2-MoS2 Lateral Heterostructure via Photocurrent Spectral Atomic Force Microscopic Imaging.

    Science.gov (United States)

    Son, Youngwoo; Li, Ming-Yang; Cheng, Chia-Chin; Wei, Kung-Hwa; Liu, Pingwei; Wang, Qing Hua; Li, Lain-Jong; Strano, Michael S

    2016-06-08

    In the pursuit of two-dimensional (2D) materials beyond graphene, enormous advances have been made in exploring the exciting and useful properties of transition metal dichalcogenides (TMDCs), such as a permanent band gap in the visible range and the transition from indirect to direct band gap due to 2D quantum confinement, and their potential for a wide range of device applications. In particular, recent success in the synthesis of seamless monolayer lateral heterostructures of different TMDCs via chemical vapor deposition methods has provided an effective solution to producing an in-plane p-n junction, which is a critical component in electronic and optoelectronic device applications. However, spatial variation of the electronic and optoelectonic properties of the synthesized heterojunction crystals throughout the homogeneous as well as the lateral junction region and the charge carrier transport behavior at their nanoscale junctions with metals remain unaddressed. In this work, we use photocurrent spectral atomic force microscopy to image the current and photocurrent generated between a biased PtIr tip and a monolayer WSe2-MoS2 lateral heterostructure. Current measurements in the dark in both forward and reverse bias reveal an opposite characteristic diode behavior for WSe2 and MoS2, owing to the formation of a Schottky barrier of dissimilar properties. Notably, by changing the polarity and magnitude of the tip voltage applied, pixels that show the photoresponse of the heterostructure are observed to be selectively switched on and off, allowing for the realization of a hyper-resolution array of the switchable photodiode pixels. This experimental approach has significant implications toward the development of novel optoelectronic technologies for regioselective photodetection and imaging at nanoscale resolutions. Comparative 2D Fourier analysis of physical height and current images shows high spatial frequency variations in substrate/MoS2 (or WSe2) contact that

  4. Graphene paper supported MoS2 nanocrystals monolayer with Cu submicron-buds: High-performance flexible platform for sensing in sweat.

    Science.gov (United States)

    Wang, Zhengyun; Dong, Shuang; Gui, Mengxi; Asif, Muhammad; Wang, Wei; Wang, Feng; Liu, Hongfang

    2018-02-15

    Flexible sweat biosensors are of considerable current interest for the development of wearable smart miniature devices. In this work, we report a novel type of flexible and electrochemical sweat platform fabricated by depositing Cu submicron buds on freestanding graphene paper (GP) carrying MoS 2 nanocrystals monolayer for bio-functional detection of glucose and lactate. Quantitative analysis of glucose and lactate was carried out by using amperometric i-t method. Linear ranges were obtained between 5 and 1775 μM for glucose and 0.01-18.4 mM for lactate, and their corresponding limits of detection were 500 nM and 0.1 μM, respectively. The platform demonstrates fast response, good selectivity, superb reproducibility and outstanding flexibility, which enable its use for monitoring glucose and lactate in human perspiration. The strategy of structurally integrating 3D transition metal, 0D transition metal sulfide and 2D graphene will provide new insight into the design of flexible electrodes for sweat glucose and lactate monitoring and a wider range of applications in biosensing, bioelectronics, and lab-on-a-chip devices. Copyright © 2017. Published by Elsevier Inc.

  5. All-fiber Yb-doped fiber laser passively mode-locking by monolayer MoS2 saturable absorber

    Science.gov (United States)

    Zhang, Yue; Zhu, Jianqi; Li, Pingxue; Wang, Xiaoxiao; Yu, Hua; Xiao, Kun; Li, Chunyong; Zhang, Guangyu

    2018-04-01

    We report on an all-fiber passively mode-locked ytterbium-doped (Yb-doped) fiber laser with monolayer molybdenum disulfide (ML-MoS2) saturable absorber (SA) by three-temperature zone chemical vapor deposition (CVD) method. The modulation depth, saturation fluence, and non-saturable loss of this ML-MoS2 are measured to be 3.6%, 204.8 μJ/cm2 and 6.3%, respectively. Based on this ML-MoS2SA, a passively mode-locked Yb-doped fiber laser has been achieved at 979 nm with pulse duration of 13 ps and repetition rate of 16.51 MHz. A mode-locked fiber laser at 1037 nm is also realized with a pulse duration of 475 ps and repetition rate of 26.5 MHz. To the best of our knowledge, this is the first report that the ML-MoS2 SA is used in an all-fiber Yb-doped mode-locked fiber laser at 980 nm. Our work further points the excellent saturable absorption ability of ML-MoS2 in ultrafast photonic applications.

  6. Noble metal (Pt or Au)-doped monolayer MoS2 as a promising adsorbent and gas-sensing material to SO2, SOF2 and SO2F2: a DFT study

    Science.gov (United States)

    Chen, Dachang; Zhang, Xiaoxing; Tang, Ju; Cui, Hao; Li, Yi

    2018-02-01

    We explored the adsorption of SO2, SOF2, and SO2F2 on Pt- or Au-doped MoS2 monolayer based on density functional theory. The adsorption energy, adsorption distance, charge transfer as well as density of states were discussed. SO2 and SOF2 exhibit strong chemical interactions with Pt-doped MoS2 based on large adsorption energy, charge transfer, and changes of electron orbitals in gas molecule. SO2 also shows obvious chemisorption on Au-doped MoS2 with apparent magnetism transfer from Au to gas molecules. The adsorption of SO2F2 on Pt-MoS2 and SOF2 on Au-MoS2 exhibits weaker chemical interactions and SO2F2 losses electrons when adsorbed on Pt-MoS2 which is different from other gas adsorption. The adsorption of SO2F2 on Au-MoS2 represents no obvious chemical interaction but physisorption. The gas-sensing properties are also evaluated based on DFT results. This work could provide prospects and application value for typical noble metal-doped MoS2 as gas-sensing materials.

  7. Epitaxial growth of a monolayer WSe2-MoS2 lateral p-n junction with an atomically sharp interface

    KAUST Repository

    Li, Ming Yang; Shi, Yumeng; Cheng, Chia Chin; Lu, Li Syuan; Lin, Yung Chang; Tang, Hao-Ling; Tsai, Meng Lin; Chu, Chih Wei; Wei, Kung Hwa; He, Jr-Hau; Chang, Wen Hao; Suenaga, Kazu; Li, Lain-Jong

    2015-01-01

    . Spatially connected TMDC lateral heterojunctions are key components for constructing monolayer p-n rectifying diodes, light-emitting diodes, photovoltaic devices, and bipolar junction transistors. However, such structures are not readily prepared via

  8. Two-dimensional MoS2 electromechanical actuators

    Science.gov (United States)

    Hung, Nguyen T.; Nugraha, Ahmad R. T.; Saito, Riichiro

    2018-02-01

    We investigate the electromechanical properties of two-dimensional MoS2 monolayers with 1H, 1T, and 1T‧ structures as a function of charge doping by using density functional theory. We find isotropic elastic moduli in the 1H and 1T structures, while the 1T‧ structure exhibits an anisotropic elastic modulus. Moreover, the 1T structure is shown to have a negative Poisson’s ratio, while Poisson’s ratios of the 1H and 1T‧ are positive. By charge doping, the monolayer MoS2 shows a reversible strain and work density per cycle ranging from  -0.68% to 2.67% and from 4.4 to 36.9 MJ m-3, respectively, making them suitable for applications in electromechanical actuators. We also examine the stress generated in the MoS2 monolayers and we find that 1T and 1T‧ MoS2 monolayers have relatively better performance than 1H MoS2 monolayer. We argue that such excellent electromechanical performance originate from the electrical conductivity of the metallic 1T and semimetallic 1T‧ structures and also from their high Young’s modulus of about 150-200 GPa.

  9. Intercalation of Si between MoS2 layers

    Directory of Open Access Journals (Sweden)

    Rik van Bremen

    2017-09-01

    Full Text Available We report a combined experimental and theoretical study of the growth of sub-monolayer amounts of silicon (Si on molybdenum disulfide (MoS2. At room temperature and low deposition rates we have found compelling evidence that the deposited Si atoms intercalate between the MoS2 layers. Our evidence relies on several experimental observations: (1 Upon the deposition of Si on pristine MoS2 the morphology of the surface transforms from a smooth surface to a hill-and-valley surface. The lattice constant of the hill-and-valley structure amounts to 3.16 Å, which is exactly the lattice constant of pristine MoS2. (2 The transitions from hills to valleys are not abrupt, as one would expect for epitaxial islands growing on-top of a substrate, but very gradual. (3 I(V scanning tunneling spectroscopy spectra recorded at the hills and valleys reveal no noteworthy differences. (4 Spatial maps of dI/dz reveal that the surface exhibits a uniform work function and a lattice constant of 3.16 Å. (5 X-ray photo-electron spectroscopy measurements reveal that sputtering of the MoS2/Si substrate does not lead to a decrease, but an increase of the relative Si signal. Based on these experimental observations we have to conclude that deposited Si atoms do not reside on the MoS2 surface, but rather intercalate between the MoS2 layers. Our conclusion that Si intercalates upon the deposition on MoS2 is at variance with the interpretation by Chiappe et al. (Adv. Mater. 2014, 26, 2096–2101 that silicon forms a highly strained epitaxial layer on MoS2. Finally, density functional theory calculations indicate that silicene clusters encapsulated by MoS2 are stable.

  10. Oxidation of atomically thin MoS2 on SiO2

    Science.gov (United States)

    Yamamoto, Mahito; Cullen, William; Einstein, Theodore; Fuhrer, Michael

    2013-03-01

    Surface oxidation of MoS2 markedly affects its electronic, optical, and tribological properties. However, oxidative reactivity of atomically thin MoS2 has yet to be addressed. Here, we investigate oxidation of atomic layers of MoS2 using atomic force microscopy and Raman spectroscopy. MoS2 is mechanically exfoliated onto SiO2 and oxidized in Ar/O2 or Ar/O3 (ozone) at 100-450 °C. MoS2 is much more reactive to O2 than an analogous atomic membrane of graphene and monolayer MoS2 is completely etched very rapidly upon O2 treatment above 300 °C. Thicker MoS2 (> 15 nm) transforms into MoO3 after oxidation at 400 °C, which is confirmed by a Raman peak at 820 cm-1. However, few-layer MoS2 oxidized below 400 °C exhibits no MoO3 Raman mode but etch pits are formed, similar to graphene. We find atomic layers of MoS2 shows larger reactivity to O3 than to O2 and monolayer MoS2 transforms chemically upon O3 treatment even below 100 °C. Work supported by the U. of Maryland NSF-MRSEC under Grant No. DMR 05-20741.

  11. Spectroscopic Signatures for Interlayer Coupling in MoS 2 –WSe 2 van der Waals Stacking

    KAUST Repository

    Chiu, Ming-Hui

    2014-09-23

    Stacking of MoS2 and WSe2 monolayers is conducted by transferring triangular MoS2 monolayers on top of WSe2 monolayers, all grown by chemical vapor deposition (CVD). Raman spectroscopy and photoluminescence (PL) studies reveal that these mechanically stacked monolayers are not closely coupled, but after a thermal treatment at 300 degrees C, it is possible to produce van der Waals solids consisting of two interacting transition metal dichalcogenide (TMD) monolayers. The layer-number sensitive Raman out-of-plane mode A(1g)(2) for WSe2 (309 cm(-1)) is found sensitive to the coupling between two TMD monolayers. The presence of interlayer excitonic emissions and the changes in other intrinsic Raman modes such as E \\'\\' for MoS2 at 286 cm(-1) and A(1g)(2) for MoS2 at around 463 cm(-1) confirm the enhancement of the interlayer coupling.

  12. Spectroscopic Signatures for Interlayer Coupling in MoS 2 –WSe 2 van der Waals Stacking

    KAUST Repository

    Chiu, Ming-Hui; Li, Ming-Yang; Zhang, Wengjing; Hsu, Wei-Ting; Chang, Wen-Hao; Terrones, Mauricio; Terrones, Humberto; Li, Lain-Jong

    2014-01-01

    Stacking of MoS2 and WSe2 monolayers is conducted by transferring triangular MoS2 monolayers on top of WSe2 monolayers, all grown by chemical vapor deposition (CVD). Raman spectroscopy and photoluminescence (PL) studies reveal that these mechanically stacked monolayers are not closely coupled, but after a thermal treatment at 300 degrees C, it is possible to produce van der Waals solids consisting of two interacting transition metal dichalcogenide (TMD) monolayers. The layer-number sensitive Raman out-of-plane mode A(1g)(2) for WSe2 (309 cm(-1)) is found sensitive to the coupling between two TMD monolayers. The presence of interlayer excitonic emissions and the changes in other intrinsic Raman modes such as E '' for MoS2 at 286 cm(-1) and A(1g)(2) for MoS2 at around 463 cm(-1) confirm the enhancement of the interlayer coupling.

  13. Analysis of optical and electronic properties of MoS2 for optoelectronics and FET applications

    Science.gov (United States)

    Ullah, Muhammad S.; Yousuf, Abdul Hamid Bin; Es-Sakhi, Azzedin D.; Chowdhury, Masud H.

    2018-04-01

    Molybdenum disulfide (MoS2) is considered as a promising alternative to conventional semiconductor materials that used in the IC industry because of its novel properties. In this paper, we explore the optical and electronic properties of MoS2 for photodetector and transistors applications. This simulation is done using `DFT materials properties simulator'. Our findings show that mono- and multi-layer MoS2 is suitable for conventional and tunnel FET applications due to direct and indirect band-gap respectively. The bulk MoS2 crystal, which are composed of stacked layers have indirect bandgap and mono-layer MoS2 crystal form direct bandgap at the K-point of Brillouin zone. Indirect bandgap of bulk MoS2 crystal implies that phonons need to be involved in band-to-band tunneling (BTBT) process. Degenerately doped semiconductor, which is basically spinning the Fermi level, changing the DOS profile, and thinning the indirect bandgap that allow tunneling from valence band to conduction band. The optical properties of MoS2 is explored in terms of Absorption coefficient, extinction coefficient and refractive index. Our results shows that a MoS2 based photodetector can be fabricate to detect light in the visible range (below 500nm). It is also observed that the MoS2 is most sensitive for the light of wavelength 450nm.

  14. Single-layer MoS2 electronics.

    Science.gov (United States)

    Lembke, Dominik; Bertolazzi, Simone; Kis, Andras

    2015-01-20

    allowed rapid progress in this area and was followed by demonstrations of basic digital circuits and transistors operating in the technologically relevant gigahertz range of frequencies, showing that the mobility of MoS2 and TMD materials is sufficiently high to allow device operation at such high frequencies. Monolayer MoS2 and other TMDs are also direct band gap semiconductors making them interesting for realizing optoelectronic devices. These range from simple phototransistors showing high sensitivity and low noise, to light emitting diodes and solar cells. All the electronic and optoelectronic properties of MoS2 and TMDs are accompanied by interesting mechanical properties with monolayer MoS2 being as stiff as steel and 30× stronger. This makes it especially interesting in the context of flexible electronics where it could combine the high degree of mechanical flexibility commonly associated with organic semiconductors with high levels of electrical performance. All these results show that MoS2 and TMDs are promising materials for electronic and optoelectronic applications.

  15. Confocal absorption spectral imaging of MoS2: optical transitions depending on the atomic thickness of intrinsic and chemically doped MoS2.

    Science.gov (United States)

    Dhakal, Krishna P; Duong, Dinh Loc; Lee, Jubok; Nam, Honggi; Kim, Minsu; Kan, Min; Lee, Young Hee; Kim, Jeongyong

    2014-11-07

    We performed a nanoscale confocal absorption spectral imaging to obtain the full absorption spectra (over the range 1.5-3.2 eV) within regions having different numbers of layers and studied the variation of optical transition depending on the atomic thickness of the MoS2 film. Three distinct absorption bands corresponding to A and B excitons and a high-energy background (BG) peak at 2.84 eV displayed a gradual redshift as the MoS2 film thickness increased from the monolayer, to the bilayer, to the bulk MoS2 and this shift was attributed to the reduction of the gap energy in the Brillouin zone at the K-point as the atomic thickness increased. We also performed n-type chemical doping of MoS2 films using reduced benzyl viologen (BV) and the confocal absorption spectra modified by the doping showed a strong dependence on the atomic thickness: A and B exciton peaks were greatly quenched in the monolayer MoS2 while much less effect was shown in larger thickness and the BG peak either showed very small quenching for 1 L MoS2 or remained constant for larger thicknesses. Our results indicate that confocal absorption spectral imaging can provide comprehensive information on optical transitions of microscopic size intrinsic and doped two-dimensional layered materials.

  16. Investigation on nonlinear optical properties of MoS2 nanoflake, grown on silicon and quartz substrates

    Science.gov (United States)

    Bayesteh, S.; Mortazavi, S. Z.; Reyhani, A.

    2018-03-01

    In this study, MoS2 was directly synthesized by one-step thermal chemical vapour deposition (TCVD), on different substrates including Si/SiO2 and quartz, using MoO3 and sulfide powders as precursor. The XRD patterns demonstrate the high crystallinity of MoS2 on Si/SiO2 and quartz substrates. SEM confirmed the formation of MoS2 grown on both substrates. According to line width and frequency difference between the E1 2g and A1g in Raman spectroscopy, it is inferred that the MoS2 grown on Si/SiO2 substrate is monolayer and the MoS2 grown on quartz substrate is multilayer. Moreover, by assessment of MoS2 nanoflake band gap via UV-visible analysis, it verified the formation of few layer structures. In addition, the open-aperture and close-aperture Z-scan techniques were employed to study the nonlinear optical properties including nonlinear absorption and nonlinear refraction of the synthesized MoS2. All experiments were performed using a diode laser with a wavelength of 532 nm as light source. The monolayer MoS2 synthesized on Si/SiO2, display considerable two-photon absorption. However, the multilayer MoS2 synthesized on quartz displayed saturable absorption (SA). It is noticeable that both samples demonstrate obvious self-defocusing behaviour.

  17. Controlled p-doping of black phosphorus by integration of MoS2 nanoparticles

    Science.gov (United States)

    Jeon, Sumin; Kim, Minwoo; Jia, Jingyuan; Park, Jin-Hong; Lee, Sungjoo; Song, Young Jae

    2018-05-01

    Black phosphorus (BP), a new family of two dimensional (2D) layered materials, is an attractive material for future electronic, photonic and chemical sensing devices, thanks to its high carrier density and a direct bandgap of 0.3-2.0 eV, depending on the number of layers. Controllability over the properties of BP by electrical or chemical modulations is one of the critical requirements for future various device applications. Herein, we report a new doping method of BP by integration of density-controlled monolayer MoS2 nanoparticles (NPs). MoS2 NPs with different density were synthesized by chemical vapor deposition (CVD) and transferred onto a few-layer BP channel, which induced a p-doping effect. Scanning electron microscopy (SEM) confirmed the size and distribution of MoS2 NPs with different density. Raman and X-ray photoelectron spectroscopy (XPS) were measured to confirm the oxidation on the edge of MoS2 NPs and a doping effect of MoS2 NPs on a BP channel. The doping mechanism was explained by a charge transfer by work function differences between BP and MoS2 NPs, which was confirmed by Kelvin probe force microscopy (KPFM) and electrical measurements. The hole concentration of BP was controlled with different densities of MoS2 NPs in a range of 1012-1013 cm-2.

  18. Investigation on nonlinear optical properties of MoS2 nanoflakes grown on silicon and quartz substrates

    Science.gov (United States)

    Bayesteh, Samaneh; Zahra Mortazavi, Seyedeh; Reyhani, Ali

    2018-05-01

    In this study, MoS2 nanoflakes were directly grown on different substrates—Si/SiO2 and quartz—by one-step thermal chemical vapor deposition using MoO3 and sulfide powders as precursors. Scanning electron microscopy and x-ray diffraction patterns demonstrated the formation of MoS2 structures on both substrates. Moreover, UV-visible and photoluminescence analysis confirmed the formation of MoS2 few-layer structures. According to Raman spectroscopy, by assessment of the line width and frequency shift differences between the and A 1g, it was inferred that the MoS2 grown on the silicon substrate was monolayer and that grown on the quartz substrate was multilayer. In addition, open-aperture and close-aperture Z-scan techniques were employed to study the nonlinear optical properties including nonlinear absorption and nonlinear refraction of the grown MoS2. All experiments were performed using a diode laser with a wavelength of 532 nm as the light source. It is noticeable that both samples demonstrate obvious self-defocusing behavior. The monolayer MoS2 grown on the silicon substrate displayed considerable two-photon absorption while, the multilayer MoS2 synthesized on the quartz exhibited saturable absorption. In general, few-layered MoS2 would be useful for the development of nanophotonic devices like optical limiters, optical switchers, etc.

  19. Highly sensitive MoS2 photodetectors with graphene contacts

    Science.gov (United States)

    Han, Peize; St. Marie, Luke; Wang, Qing X.; Quirk, Nicholas; El Fatimy, Abdel; Ishigami, Masahiro; Barbara, Paola

    2018-05-01

    Two-dimensional materials such as graphene and transition metal dichalcogenides (TMDs) are ideal candidates to create ultra-thin electronics suitable for flexible substrates. Although optoelectronic devices based on TMDs have demonstrated remarkable performance, scalability is still a significant issue. Most devices are created using techniques that are not suitable for mass production, such as mechanical exfoliation of monolayer flakes and patterning by electron-beam lithography. Here we show that large-area MoS2 grown by chemical vapor deposition and patterned by photolithography yields highly sensitive photodetectors, with record shot-noise-limited detectivities of 8.7 × 1014 Jones in ambient condition and even higher when sealed with a protective layer. These detectivity values are higher than the highest values reported for photodetectors based on exfoliated MoS2. We study MoS2 devices with gold electrodes and graphene electrodes. The devices with graphene electrodes have a tunable band alignment and are especially attractive for scalable ultra-thin flexible optoelectronics.

  20. Large Area Deposition of MoS2 by Pulsed Laser Deposition with In-Situ Thickness Control

    KAUST Repository

    Serna, Martha I.

    2016-05-24

    A scalable and catalyst-free method to deposit stoichiometric Molybdenum Disulfide (MoS2) films over large areas is reported with the maximum area limited by the size of the substrate holder. The method allows deposition of MoS2 layers on a wide range of substrates without any additional surface preparation including single crystals (sapphire and quartz), polycrystalline (HfO2), and amorphous (SiO2). The films are deposited using carefully designed MoS2 targets fabricated with excess of sulfur (S) and variable MoS2 and S particle size. Uniform and layered MoS2 films as thin as two monolayers, with an electrical resistivity of 1.54 × 104 Ω cm-1 were achieved. The MoS2 stoichiometry was as confirmed by High Resolution Rutherford Backscattering Spectrometry (HRRBS). With the method reported here, in situ graded MoS2 films ranging from ~1 to 10 monolayers can also be deposited.

  1. Large Area Deposition of MoS2 by Pulsed Laser Deposition with In-Situ Thickness Control

    KAUST Repository

    Serna, Martha I.; Yoo, Seong H.; Moreno, Salvador; Xi, Yang; Oviedo, Juan Pablo; Choi, Hyunjoo; Alshareef, Husam N.; Kim, Moon J.; Minary-Jolandan, Majid; Quevedo-Lopez, Manuel A.

    2016-01-01

    A scalable and catalyst-free method to deposit stoichiometric Molybdenum Disulfide (MoS2) films over large areas is reported with the maximum area limited by the size of the substrate holder. The method allows deposition of MoS2 layers on a wide range of substrates without any additional surface preparation including single crystals (sapphire and quartz), polycrystalline (HfO2), and amorphous (SiO2). The films are deposited using carefully designed MoS2 targets fabricated with excess of sulfur (S) and variable MoS2 and S particle size. Uniform and layered MoS2 films as thin as two monolayers, with an electrical resistivity of 1.54 × 104 Ω cm-1 were achieved. The MoS2 stoichiometry was as confirmed by High Resolution Rutherford Backscattering Spectrometry (HRRBS). With the method reported here, in situ graded MoS2 films ranging from ~1 to 10 monolayers can also be deposited.

  2. Layer Dependence and Light Tuning Surface Potential of 2D MoS2 on Various Substrates.

    Science.gov (United States)

    Li, Feng; Qi, Junjie; Xu, Minxuan; Xiao, Jiankun; Xu, Yuliang; Zhang, Xiankun; Liu, Shuo; Zhang, Yue

    2017-04-01

    Here surface potential of chemical vapor deposition (CVD) grown 2D MoS 2 with various layers is reported, and the effect of adherent substrate and light illumination on surface potential of monolayer MoS 2 are investigated. The surface potential of MoS 2 on Si/SiO 2 substrate decreases from 4.93 to 4.84 eV with the increase in the number of layer from 1 to 4 or more. Especially, the surface potentials of monolayer MoS 2 are strongly dependent on its adherent substrate, which are determined to be 4.55, 4.88, 4.93, 5.10, and 5.50 eV on Ag, graphene, Si/SiO 2 , Au, and Pt substrates, respectively. Light irradiation is introduced to tuning the surface potential of monolayer MoS 2 , with the increase in light intensity, the surface potential of MoS 2 on Si/SiO 2 substrate decreases from 4.93 to 4.74 eV, while increases from 5.50 to 5.56 eV on Pt substrate. The I-V curves on vertical of monolayer MoS 2 /Pt heterojunction show the decrease in current with the increase of light intensity, and Schottky barrier height at MoS 2 /Pt junctions increases from 0.302 to 0.342 eV. The changed surface potential can be explained by trapped charges on surface, photoinduced carriers, charge transfer, and local electric field. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Electronic and magnetic properties of MoS2 nanoribbons with sulfur line vacancy defects

    International Nuclear Information System (INIS)

    Han, Yang; Zhou, Jian; Dong, Jinming

    2015-01-01

    Highlights: • We performed DFT calculations on Sulfur line defects embedded MoS 2 . • The defects induced bond strains are larger in the zigzag (ZZ) edge ones. • The ZZ ones are metals, having two degenerate ground states FM and AFM. • The armchair ones are nonmagnetic semiconductors. • The defects can induce some defect states in the electronic structures. - Abstract: Motivated by the recent experimental result that single sulfur vacancies in monolayer MoS 2 are mobile under the electron beam and easily agglomerate into the sulfur line vacancy defects [Physical Review B 88, 035301(2013)] , the structural, electronic and magnetic properties of one dimensional zigzag (ZZ) and armchair (AC) edge MoS 2 nanoribbons with single or double staggered sulfur line vacancy defects (hereafter, abbreviated as SV or DV, respectively), parallel to their edges, have been investigated systematically by density functional theory calculations. It is very interesting to find that the bond strains induced by the sulfur line vacancy defect can cause a much larger out-of plane distortions in the ZZ edge MoS 2 nanoribbon than in the AC edge counterpart. Besides, the defective ZZ edge MoS 2 nanoribbons with SV or DV are both metals, having their two respective degenerate ground states with the same energy, among which one is ferromagnetic (FM “ + +”) and the other is antiferromagnetic (AFM “ + −”). But the AC edge MoS 2 nanoribbons with SV or DV are both nonmagnetic semiconductors, having very different gap values. Finally, the sulfur line vacancy defects would induce some defect states in the electronic structures of the defective MoS 2 nanoribbons. All these important results could provide a new route of tuning the electronic properties of MoS 2 nanoribbons and its derivatives for their promising applications in nanoelectronics and optoelectronics

  4. Robust Denaturation of Villin Headpiece by MoS2 Nanosheet: Potential Molecular Origin of the Nanotoxicity

    Science.gov (United States)

    Gu, Zonglin; Yang, Zaixing; Kang, Seung-Gu; Yang, Jerry R.; Luo, Judong; Zhou, Ruhong

    2016-06-01

    MoS2 nanosheet, a new two-dimensional transition metal dichalcogenides nanomaterial, has attracted significant attentions lately due to many potential promising biomedical applications. Meanwhile, there is also a growing concern on its biocompatibility, with little known on its interactions with various biomolecules such as proteins. In this study, we use all-atom molecular dynamics simulations to investigate the interaction of a MoS2 nanosheet with Villin Headpiece (HP35), a model protein widely used in protein folding studies. We find that MoS2 exhibits robust denaturing capability to HP35, with its secondary structures severely destroyed within hundreds of nanosecond simulations. Both aromatic and basic residues are critical for the protein anchoring onto MoS2 surface, which then triggers the successive protein unfolding process. The main driving force behind the adsorption process is the dispersion interaction between protein and MoS2 monolayer. Moreover, water molecules at the interface between some key hydrophobic residues (e.g. Trp-64) and MoS2 surface also help to accelerate the process driven by nanoscale drying, which provides a strong hydrophobic force. These findings might have shed new light on the potential nanotoxicity of MoS2 to proteins with atomic details, which should be helpful in guiding future biomedical applications of MoS2 with its nanotoxicity mitigated.

  5. Spectroscopic Signatures for Interlayer Coupling in MoS2-WSe2 van der Waals Stacking

    Science.gov (United States)

    2014-09-07

    K. Direct Imaging of Band Profile in Single Layer MoS2 on Graphite: Quasiparticle Energy Gap, Metallic Edge States, and Edge Band Bending. Nano Lett...1403.6455v1. 51. Shi, H.; Pan, H.; Zhang, Y.-W.; Yakobson, B. I. Quasiparticle Band Structures and Optical Properties of Strained Mono- layer MoS2 and WS2...Phys. Rev. B 2013, 87, 155304. 52. Liang, Y.; Huang, S.; Soklaski, R.; Yang, L. Quasiparticle Band-edge Energy and Band Offsets of Monolayer of

  6. Role of interlayer coupling in ultra thin MoS2

    KAUST Repository

    Cheng, Yingchun

    2012-01-01

    The effects of interlayer coupling on the vibrational and electronic properties of ultra thin MoS 2 were studied by ab initio calculations. For smaller slab thickness, the interlayer distance is significantly elongated because of reduced interlayer coupling. This explains the anomalous thickness dependence of the lattice vibrations observed by Lee et al. (ACS Nano, 2010, 4, 2695). The absence of interlayer coupling in mono-layer MoS 2 induces a transition from direct to indirect band gap behaviour. Our results demonstrate a strong interplay between the intralayer chemical bonding and the interlayer van-der-Waals interaction. This journal is © 2012 The Royal Society of Chemistry.

  7. Large-area MoS2 grown using H2S as the sulphur source

    International Nuclear Information System (INIS)

    Dumcenco, Dumitru; Ovchinnikov, Dmitry; Lopez Sanchez, Oriol; Kis, Andras; Gillet, Philippe; Alexander, Duncan T L; Lazar, Sorin; Radenovic, Aleksandra

    2015-01-01

    We report on the growth of molybdenum disulphide (MoS 2 ) using H 2 S as a gas-phase sulfur precursor that allows controlling the domain growth direction of domains in both vertical (perpendicular to the substrate plane) and horizontal (within the substrate plane), depending on the H 2 S:H 2 ratio in the reaction gas mixture and temperature at which they are introduced during growth. Optical and atomic force microscopy measurements on horizontal MoS 2 demonstrate the formation of monolayer triangular-shape domains that merge into a continuous film. Scanning transmission electron microscopy of monolayer MoS 2 shows a regular atomic structure with a hexagonal symmetry. Raman and photoluminescence spectra confirm the monolayer thickness of the material. Field-effect transistors fabricated on MoS 2 domains that are transferred onto Si/SiO 2 substrates show a mobility similar to previously reported exfoliated and chemical vapor deposition-grown materials. (paper)

  8. Optical properties and band structure of atomically thin MoS2

    Science.gov (United States)

    Shan, Jie; Mak, Kin Fai; Lee, Changgu; Hone, James; Heinz, Tony

    2010-03-01

    Atomically thin layers of materials can be expected to exhibit distinct electronic structure and novel properties compared to their bulk counterparts. Layered compounds, for which stable atomically thin samples can be produced, are ideal candidates for such studies. Graphene, a monolayer slice of the graphite crystal, is an illustrative example of both the stability and of the interest and importance of such materials. Here we report a study of thin layers of MoS2, a hexagonal layered bulk semiconductor with an indirect band gap of 1.3 eV. MoS2 samples with layer thickness N down to a monolayer were obtained by mechanical exfoliation. We observed an enhancement of the luminescence quantum yield by more than a factor of 100 in monolayer MoS2 compared to the bulk material. The combination of absorption, photoluminescence, and photoconductivity measurements indicates that a transition to a direct-gap material occurs in the limit of the single MoS2 layer. This result is supported by an earlier first-principles calculation [J. Phys. Chem. C 2007, 111, 16192]. Further, by varying the thickness of the samples, we were able to probe the evolution of the electronic structure for N = 1 -- 6 layers.

  9. Achieving Ohmic Contact for High-quality MoS2 Devices on Hexagonal Boron Nitride

    Science.gov (United States)

    Cui, Xu

    MoS2, among many other transition metal dichalcogenides (TMDCs), holds great promise for future applications in nano-electronics, opto-electronics and mechanical devices due to its ultra-thin nature, flexibility, sizable band-gap, and unique spin-valley coupled physics. However, there are two main challenges that hinder careful study of this material. Firstly, it is hard to achieve Ohmic contacts to mono-layer MoS2, particularly at low temperatures (T) and low carrier densities. Secondly, materials' low quality and impurities introduced during the fabrication significantly limit the electron mobility of mono- and few-layer MoS2 to be substantially below theoretically predicted limits, which has hampered efforts to observe its novel quantum transport behaviours. Traditional low work function metals doesn't necessary provide good electron injection to thin MoS2 due to metal oxidation, Fermi level pinning, etc. To address the first challenge, we tried multiple contact schemes and found that mono-layer hexagonal boron nitride (h-BN) and cobalt (Co) provide robust Ohmic contact. The mono-layer spacer serves two advantageous purposes: it strongly interacts with the transition metal, reducing its work function by over 1 eV; and breaks the metal-TMDCs interaction to eliminate the interfacial states that cause Fermi level pinning. We measure a flat-band Schottky barrier of 16 meV, which makes thin tunnel barriers upon doping the channels, and thus achieve low-T contact resistance of 3 kohm.um at a carrier density of 5.3x10. 12/cm. 2. Similar to graphene, eliminating all potential sources of disorder and scattering is the key to achieving high performance in MoS2 devices. We developed a van der Waals heterostructure device platform where MoS2 layers are fully encapsulated within h-BN and electrically contacted in a multi-terminal geometry using gate-tunable graphene electrodes. The h-BN-encapsulation provides excellent protection from environmental factors, resulting in

  10. Growth of centimeter-scale atomically thin MoS2 films by pulsed laser deposition

    Directory of Open Access Journals (Sweden)

    Gene Siegel

    2015-05-01

    Full Text Available We are reporting the growth of single layer and few-layer MoS2 films on single crystal sapphire substrates using a pulsed-laser deposition technique. A pulsed KrF excimer laser (wavelength: 248 nm; pulse width: 25 ns was used to ablate a polycrystalline MoS2 target. The material thus ablated was deposited on a single crystal sapphire (0001 substrate kept at 700 °C in an ambient vacuum of 10−6 Torr. Detailed characterization of the films was performed using atomic force microscopy (AFM, Raman spectroscopy, UV-Vis spectroscopy, and photoluminescence (PL measurements. The ablation of the MoS2 target by 50 laser pulses (energy density: 1.5 J/cm2 was found to result in the formation of a monolayer of MoS2 as shown by AFM results. In the Raman spectrum, A1g and E12g peaks were observed at 404.6 cm−1 and 384.5 cm−1 with a spacing of 20.1 cm−1, confirming the monolayer thickness of the film. The UV-Vis absorption spectrum exhibited two exciton absorption bands at 672 nm (1.85 eV and 615 nm (2.02 eV, with an energy split of 0.17 eV, which is in excellent agreement with the theoretically predicted value of 0.15 eV. The monolayer MoS2 exhibited a PL peak at 1.85 eV confirming the direct nature of the band-gap. By varying the number of laser pulses, bi-layer, tri-layer, and few-layer MoS2 films were prepared. It was found that as the number of monolayers (n in the MoS2 films increases, the spacing between the A1g and E12g Raman peaks (Δf increases following an empirical relation, Δ f = 26 . 45 − 15 . 42 1 + 1 . 44 n 0 . 9 cm − 1 .

  11. Cold cathode emission studies on topographically modified few layer and single layer MoS2 films

    Science.gov (United States)

    Gaur, Anand P. S.; Sahoo, Satyaprakash; Mendoza, Frank; Rivera, Adriana M.; Kumar, Mohit; Dash, Saroj P.; Morell, Gerardo; Katiyar, Ram S.

    2016-01-01

    Nanostructured materials, such as carbon nanotubes, are excellent cold cathode emitters. Here, we report comparative field emission (FE) studies on topographically tailored few layer MoS2 films consisting of ⟨0001⟩ plane perpendicular (⊥) to c-axis (i.e., edge terminated vertically aligned) along with planar few layer and monolayer (1L) MoS2 films. FE measurements exhibited lower turn-on field Eto (defined as required applied electric field to emit current density of 10 μA/cm2) ˜4.5 V/μm and higher current density ˜1 mA/cm2, for edge terminated vertically aligned (ETVA) MoS2 films. However, Eto magnitude for planar few layer and 1L MoS2 films increased further to 5.7 and 11 V/μm, respectively, with one order decrease in emission current density. The observed differences in emission behavior, particularly for ETVA MoS2 is attributed to the high value of geometrical field enhancement factor (β), found to be ˜1064, resulting from the large confinement of localized electric field at edge exposed nanograins. Emission behavior of planar few layers and 1L MoS2 films are explained under a two step emission mechanism. Our studies suggest that with further tailoring the microstructure of ultra thin ETVA MoS2 films would result in elegant FE properties.

  12. Magnetic MoS2 on multiwalled carbon nanotubes for sulfide sensing.

    Science.gov (United States)

    Li, Chunxiang; Zhang, Dan; Wang, Jiankang; Hu, Pingan; Jiang, Zhaohua

    2017-07-04

    A novel hybrid metallic cobalt insided in multiwalled carbon nanotubles/molybdenum disulfide (Co@CNT/MoS 2 ) modified glass carbon electrode (GCE) was fabricated with a adhesive of Nafion suspension and used as chemical sensors for sulfide detection. Single-layered MoS 2 was coated on CNTs through magnetic traction force between paramagnetic monolayer MoS 2 and Co particles in CNTs. Co particles faciliated the collection of paramagnetic monolayer MoS 2 exfoliated from bulk MoS 2 in solution. Amperometric analysis, cycle voltammetry, cathodic stripping analysis and linear sweep voltammetry results showed the Co@CNT/MoS 2 modified GCE exhibited excellent electrochemical activity to sulfide in buffer solutions, but amperometric analysis was found to be more sensitive than the other methods. The amperometric response result indicated the Co@CNT/MoS 2 -modified GCE electrode was an excellent electrochemical sensor for detecting S 2- with a detection limit of 7.6 nM and sensitivity of 0.23 mA/μM. The proposed electrode was used for the determination of sulfide levels in hydrogen sulfide-pretreated fruits, and the method was also verified with recovery studies. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Anti-site defected MoS2 sheet-based single electron transistor as a gas sensor

    Science.gov (United States)

    Sharma, Archana; Husain, Mushahid; Srivastava, Anurag; Khan, Mohd. Shahid

    2018-05-01

    To prevent harmful and poisonous CO gas molecules, catalysts are needed for converting them into benign substances. Density functional theory (DFT) calculations have been used to study the adsorption of CO and CO2 gas molecules on the surface of MoS2 monolayer with Mo atom embedded at S-vacancy site (MoS). The strong interaction between Mo metal with pristine MoS2 sheet suggests its strong binding nature. Doping Mo into MoS2 sheet enhances CO and CO2 adsorption strength. The sensing response of MoS-doped MoS2 system to CO and CO2 gas molecules is obtained in the single electron transistor (SET) environment by varying bias voltage. Doping reduces charging energy of the device which results in fast switching of the device from OFF to ON state.

  14. Controllable Growth of Large-Size Crystalline MoS2 and Resist-Free Transfer Assisted with a Cu Thin Film

    Science.gov (United States)

    Lin, Ziyuan; Zhao, Yuda; Zhou, Changjian; Zhong, Ren; Wang, Xinsheng; Tsang, Yuen Hong; Chai, Yang

    2015-12-01

    Two-dimensional MoS2 is a promising material for future nanoelectronics and optoelectronics. It has remained a great challenge to grow large-size crystalline and high surface coverage monolayer MoS2. In this work, we investigate the controllable growth of monolayer MoS2 evolving from triangular flakes to continuous thin films by optimizing the concentration of gaseous MoS2, which has been shown a both thermodynamic and kinetic growth factor. A single-crystal monolayer MoS2 larger than 300 μm was successfully grown by suppressing the nuclei density and supplying sufficient source. Furthermore, we present a facile process of transferring the centimeter scale MoS2 assisted with a copper thin film. Our results show the absence of observable residues or wrinkles after we transfer MoS2 from the growth substrates onto flat substrates using this technique, which can be further extended to transfer other two-dimensional layered materials.

  15. Photoluminescence of MoS2 Prepared by Effective Grinding-Assisted Sonication Exfoliation

    Directory of Open Access Journals (Sweden)

    Jing-Yuan Wu

    2014-01-01

    Full Text Available Exfoliation of bulk molybdenum disulfide (MoS2 using sonication in appropriate solvent is a promising route to large-scale preparation of few-layered or monolayered crystals. Grinding-assisted sonication exfoliation was used for preparing monolayered MoS2 nanosheets from natural mineral molybdenite. By controlling the sonication time, larger crystallites could be further exfoliated to smaller as well as thinner nanosheets without damaging their structures. The concentration of 1.6 mg mL−1 of final solution could be achieved. Several microscopic techniques like scanning electron microscopy, transmission electron microscopy, and atomic force microscopy were employed to evaluate the exfoliation results. Strong photoluminescence with the peak centered at 440 nm was also observed in the resulting dispersion which included several small lateral-sized (~3 nm nanostructures.

  16. Thermal conductivity of bulk and monolayer MoS2

    KAUST Repository

    Gandi, Appala; Schwingenschlö gl, Udo

    2016-01-01

    is largely missing, though it would be essential for materials design, we solve the Boltzmann transport equation for the phonons self-consistently in order to evaluate the phonon lifetimes. In addition, the length scale for transition between diffusive

  17. Band Alignment in MoS2/WS2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy.

    Science.gov (United States)

    Hill, Heather M; Rigosi, Albert F; Rim, Kwang Taeg; Flynn, George W; Heinz, Tony F

    2016-08-10

    Using scanning tunneling microscopy (STM) and scanning tunneling spectroscopy (STS), we examine the electronic structure of transition metal dichalcogenide heterostructures (TMDCHs) composed of monolayers of MoS2 and WS2. STS data are obtained for heterostructures of varying stacking configuration as well as the individual monolayers. Analysis of the tunneling spectra includes the influence of finite sample temperature, yield information about the quasi-particle bandgaps, and the band alignment of MoS2 and WS2. We report the band gaps of MoS2 (2.16 ± 0.04 eV) and WS2 (2.38 ± 0.06 eV) in the materials as measured on the heterostructure regions and the general type II band alignment for the heterostructure, which shows an interfacial band gap of 1.45 ± 0.06 eV.

  18. Electron microscopy studies on MoS2 nanocrystals

    DEFF Research Database (Denmark)

    Hansen, Lars Pilsgaard

    Industrial-style MoS2-based hydrotreating catalysts are studied using electron microscopy. The MoS2 nanostructures are imaged with single-atom sensitivity to reveal the catalytically important edge structures. Furthermore, the in-situ formation of MoS2 crystals is imaged for the first time....

  19. Piezoelectricity of single-atomic-layer MoS2 for energy conversion and piezotronics.

    Science.gov (United States)

    Wu, Wenzhuo; Wang, Lei; Li, Yilei; Zhang, Fan; Lin, Long; Niu, Simiao; Chenet, Daniel; Zhang, Xian; Hao, Yufeng; Heinz, Tony F; Hone, James; Wang, Zhong Lin

    2014-10-23

    The piezoelectric characteristics of nanowires, thin films and bulk crystals have been closely studied for potential applications in sensors, transducers, energy conversion and electronics. With their high crystallinity and ability to withstand enormous strain, two-dimensional materials are of great interest as high-performance piezoelectric materials. Monolayer MoS2 is predicted to be strongly piezoelectric, an effect that disappears in the bulk owing to the opposite orientations of adjacent atomic layers. Here we report the first experimental study of the piezoelectric properties of two-dimensional MoS2 and show that cyclic stretching and releasing of thin MoS2 flakes with an odd number of atomic layers produces oscillating piezoelectric voltage and current outputs, whereas no output is observed for flakes with an even number of layers. A single monolayer flake strained by 0.53% generates a peak output of 15 mV and 20 pA, corresponding to a power density of 2 mW m(-2) and a 5.08% mechanical-to-electrical energy conversion efficiency. In agreement with theoretical predictions, the output increases with decreasing thickness and reverses sign when the strain direction is rotated by 90°. Transport measurements show a strong piezotronic effect in single-layer MoS2, but not in bilayer and bulk MoS2. The coupling between piezoelectricity and semiconducting properties in two-dimensional nanomaterials may enable the development of applications in powering nanodevices, adaptive bioprobes and tunable/stretchable electronics/optoelectronics.

  20. Toward the growth of an aligned single-layer MoS2 film.

    Science.gov (United States)

    Kim, Daeho; Sun, Dezheng; Lu, Wenhao; Cheng, Zhihai; Zhu, Yeming; Le, Duy; Rahman, Talat S; Bartels, Ludwig

    2011-09-20

    Molybdenum disulfide (molybdenite) monolayer islands and flakes have been grown on a copper surface at comparatively low temperature and mild conditions through sulfur loading of the substrate using thiophenol (benzenethiol) followed by the evaporation of Mo atoms and annealing. The MoS(2) islands show a regular Moiré pattern in scanning tunneling microscopy, attesting to their atomic ordering and high quality. They are all aligned with the substrate high-symmetry directions providing for rotational-domain-free monolayer growth. © 2011 American Chemical Society

  1. Defect Functionalization of MoS2 nanostructures as toxic gas sensors: A review

    Science.gov (United States)

    Ramanathan, A. A.

    2018-02-01

    Toxic gas sensing plays an important role in many parts of our life from environmental protection, human health, agriculture to biomedicine. The importance of detecting toxic gases in the environment cannot be minimised in today’s highly polluted world and the reality of global warming. Carbon monoxide and NO gas are highly toxic air pollutants and can cause serious health problems. Therefore, materials able to detect these toxic gases are urgently needed. Doping and defect substitution is a versatile and new tool for changing the chemical and electronic properties of 2D layered materials and boosting the applications of these materials. Molybdenum disulphide (MoS2) as a 2D layered material has unique properties and applications due its semiconducting nature, bandgap and layered structure. In the past decade, although, extensive research of Graphene as a gas sensor was conducted, the zero bandgap limited its potential and applicability. This is overcome in MoS2 nanostructures (MSNs) and the current focus is defect engineering of MSNs. The large surface to volume ratio, bandgap and cheapness makes MSNs very attractive for gas sensor applications. The idea is fuelled by the recent finding of Ding et al [16] of successful doping strategies on monolayer MoS2 for enhanced NO detection. Moreover, the work of Luo et al [17] shows that substitutional doping is the new way of boosting and engineering the properties of ML MoS2. A short and focused report in this exciting field is presented in this review.

  2. Electron transfer kinetics on natural crystals of MoS2 and graphite.

    Science.gov (United States)

    Velický, Matěj; Bissett, Mark A; Toth, Peter S; Patten, Hollie V; Worrall, Stephen D; Rodgers, Andrew N J; Hill, Ernie W; Kinloch, Ian A; Novoselov, Konstantin S; Georgiou, Thanasis; Britnell, Liam; Dryfe, Robert A W

    2015-07-21

    Here, we evaluate the electrochemical performance of sparsely studied natural crystals of molybdenite and graphite, which have increasingly been used for fabrication of next generation monolayer molybdenum disulphide and graphene energy storage devices. Heterogeneous electron transfer kinetics of several redox mediators, including Fe(CN)6(3-/4-), Ru(NH3)6(3+/2+) and IrCl6(2-/3-) are determined using voltammetry in a micro-droplet cell. The kinetics on both materials are studied as a function of surface defectiveness, surface ageing, applied potential and illumination. We find that the basal planes of both natural MoS2 and graphite show significant electroactivity, but a large decrease in electron transfer kinetics is observed on atmosphere-aged surfaces in comparison to in situ freshly cleaved surfaces of both materials. This is attributed to surface oxidation and adsorption of airborne contaminants at the surface exposed to an ambient environment. In contrast to semimetallic graphite, the electrode kinetics on semiconducting MoS2 are strongly dependent on the surface illumination and applied potential. Furthermore, while visibly present defects/cracks do not significantly affect the response of graphite, the kinetics on MoS2 systematically accelerate with small increase in disorder. These findings have direct implications for use of MoS2 and graphene/graphite as electrode materials in electrochemistry-related applications.

  3. Prospects of zero Schottky barrier height in a graphene-inserted MoS2-metal interface

    Science.gov (United States)

    Chanana, Anuja; Mahapatra, Santanu

    2016-01-01

    A low Schottky barrier height (SBH) at source/drain contact is essential for achieving high drive current in atomic layer MoS2-channel-based field effect transistors. Approaches such as choosing metals with appropriate work functions and chemical doping are employed previously to improve the carrier injection from the contact electrodes to the channel and to mitigate the SBH between the MoS2 and metal. Recent experiments demonstrate significant SBH reduction when graphene layer is inserted between metal slab (Ti and Ni) and MoS2. However, the physical or chemical origin of this phenomenon is not yet clearly understood. In this work, density functional theory simulations are performed, employing pseudopotentials with very high basis sets to get insights of the charge transfer between metal and monolayer MoS2 through the inserted graphene layer. Our atomistic simulations on 16 different interfaces involving five different metals (Ti, Ag, Ru, Au, and Pt) reveal that (i) such a decrease in SBH is not consistent among various metals, rather an increase in SBH is observed in case of Au and Pt; (ii) unlike MoS2-metal interface, the projected dispersion of MoS2 remains preserved in any MoS2-graphene-metal system with shift in the bands on the energy axis. (iii) A proper choice of metal (e.g., Ru) may exhibit ohmic nature in a graphene-inserted MoS2-metal contact. These understandings would provide a direction in developing high-performance transistors involving heteroatomic layers as contact electrodes.

  4. Gold nanoparticles on MoS2 layered crystal flakes

    International Nuclear Information System (INIS)

    Cao, Wei; Pankratov, Vladimir; Huttula, Marko; Shi, Xinying; Saukko, Sami; Huang, Zhongjia; Zhang, Meng

    2015-01-01

    Inorganic layered crystal MoS 2 is considered as one of the most promising and efficient semiconductor materials for future transistors, photoelectronics, and electrocatalysis. To boost MoS 2 -based material applications, one direction is to grow physically and chemically reactive nanoparticles onto MoS 2 . Here we report on a simple route to synthesis crystalized MoS 2 –Au complexes. The gold nanoparticles were grown on MoS 2 flakes through a wet method in the oxygen free environment at room temperature. Nanoparticles with diameters varying from 9 nm to 429 nm were controlled by the molar ratios of MoS 2 and HAuCl 4 precursors. MoS 2 host flakes keep intrinsic honeycomb layered structures and the Au nanoparticles cubic-center crystal microstructures. From product chemical states analysis, the synthesis was found driven by redox reactions between the sulphide and the chloroauric acid. Photoluminescence measurement showed that introducing Au nanoparticles onto MoS 2 stacks substantially prompted excitonic transitions of stacks, as an analogy for doping Si wafers with dopants. Such composites may have potential applications in wide ranges similar as the doped Si. - Highlights: • The Au nanoparticles were decorated on MoS 2 in oxygen free ambiences via a wet method. • The Au nanoparticles are size-controllable and crystalized. • Chemical reaction scheme was clarified. • The MoS 2 –Au complexes have strong photoluminescent properties

  5. Efficient evaluation of epitaxial MoS2 on sapphire by direct band structure imaging

    Science.gov (United States)

    Kim, Hokwon; Dumcenco, Dumitru; Fregnaux, Mathieu; Benayad, Anass; Kung, Yen-Cheng; Kis, Andras; Renault, Olivier; Lanes Group, Epfl Team; Leti, Cea Team

    The electronic band structure evaluation of two-dimensional metal dichalcogenides is critical as the band structure can be greatly influenced by the film thickness, strain, and substrate. Here, we performed a direct measurement of the band structure of as-grown monolayer MoS2 on single crystalline sapphire by reciprocal-space photoelectron emission microscopy with a conventional laboratory ultra-violet He I light source. Arrays of gold electrodes were deposited onto the sample in order to avoid charging effects due to the insulating substrate. This allowed the high resolution mapping (ΔE = 0.2 eV Δk = 0.05 Å-1) of the valence states in momentum space down to 7 eV below the Fermi level. The high degree of the epitaxial alignment of the single crystalline MoS2 nuclei was verified by the direct momentum space imaging over a large area containing multiple nuclei. The derived values of the hole effective mass were 2.41 +/-0.05 m0 and 0.81 +/-0.05 m0, respectively at Γ and K points, consistent with the theoretical values of the freestanding monolayer MoS2 reported in the literature. HK acknowledges the french CEA Basic Technological Research program (RTB) for funding.

  6. Simulating Excitons in MoS2 with Time-Dependent Density Functional Theory

    Science.gov (United States)

    Flamant, Cedric; Kolesov, Grigory; Kaxiras, Efthimios

    Monolayer molybdenum disulfide, owing to its graphene-like two-dimensional geometry whilst still having a finite bandgap, is a material of great interest in condensed matter physics and for potential application in electronic devices. In particular, MoS2 exhibits significant excitonic effects, a desirable quality for fundamental many-body research. Time-dependent density functional theory (TD-DFT) allows us to simulate dynamical effects as well as temperature-based effects in a natural way given the direct treatment of the time evolution of the system. We present a TD-DFT study of monolayer MoS2 exciton dynamics, examining various qualitative and quantitative predictions in pure samples and in the presence of defects. In particular, we generate an absorption spectrum through simulated pulse excitation for comparison to experiment and also analyze the response of the exciton in an external electric field.In this work we also discuss the electronic structure of the exciton in MoS2 with and without vacancies.

  7. Efficient spin injection and giant magnetoresistance in Fe / MoS 2 / Fe junctions

    KAUST Repository

    Dolui, Kapildeb

    2014-07-02

    We demonstrate giant magnetoresistance in Fe/MoS2/Fe junctions by means of ab initio transport calculations. We show that junctions incorporating either a monolayer or a bilayer of MoS2 are metallic and that Fe acts as an efficient spin injector into MoS2 with an efficiency of about 45%. This is the result of the strong coupling between the Fe and S atoms at the interface. For junctions of greater thickness, a maximum magnetoresistance of ∼300% is obtained, which remains robust with the applied bias as long as transport is in the tunneling limit. A general recipe for improving the magnetoresistance in spin valves incorporating layered transition metal dichalcogenides is proposed. © 2014 American Physical Society.

  8. The Positive Effects of Hydrophobic Fluoropolymers on the Electrical Properties of MoS2 Transistors

    Directory of Open Access Journals (Sweden)

    Somayyeh Rahimi

    2016-08-01

    Full Text Available We report the improvement of the electrical performance of field effect transistors (FETs fabricated on monolayer chemical vapor deposited (CVD MoS2, by applying an interacting fluoropolymer capping layer (Teflon-AF. The electrical characterizations of more than 60 FETs, after applying Teflon-AF cap, show significant improvement of the device properties and reduced device to device variation. The improvement includes: 50% reduction of the average gate hysteresis, 30% reduction of the subthreshold swing and about an order of magnitude increase of the current on-off ratio. These favorable changes in device performance are attributed to the reduced exposure of MoS2 channels to the adsorbates in the ambient which can be explained by the polar nature of Teflon-AF cap. A positive shift in the threshold voltage of all the measured FETs is observed, which translates to the more desirable enhancement mode transistor characteristics.

  9. Faceted MoS2 nanotubes and nanoflowers

    International Nuclear Information System (INIS)

    Deepak, Francis Leonard; Mayoral, Alvaro; Yacaman, Miguel Jose

    2009-01-01

    A simple synthesis of novel faceted MoS 2 nanotubes (NTs) and nanoflowers (NFs) starting from molybdenum oxide and thiourea as the sulphur source is reported. The MoS 2 nanotubes with the faceted morphology have not been observed before. Further the as-synthesized MoS 2 nanotubes have high internal surface area. The nanostructures have been characterized by a variety of electron microscopy techniques. It is expected that these MoS 2 nanostrutures will find important applications in energy storage, catalysis and field emission.

  10. Magnetoresistance in Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions.

    Science.gov (United States)

    Zhang, Han; Ye, Meng; Wang, Yangyang; Quhe, Ruge; Pan, Yuanyuan; Guo, Ying; Song, Zhigang; Yang, Jinbo; Guo, Wanlin; Lu, Jing

    2016-06-28

    Semiconducting single-layer (SL) and few-layer MoS2 have a flat surface, free of dangling bonds. Using density functional theory coupled with non-equilibrium Green's function method, we investigate the spin-polarized transport properties of Co/2D MoS2/Co and Ni/2D MoS2/Ni junctions with MoS2 layer numbers of N = 1, 3, and 5. Well-defined interfaces are formed between MoS2 and metal electrodes. The junctions with a SL MoS2 spacer are almost metallic owing to the strong coupling between MoS2 and the ferromagnets, while those are tunneling with a few layer MoS2 spacer. Both large magnetoresistance and tunneling magnetoresistance are found when fcc or hcp Co is used as an electrode. Therefore, flat single- and few-layer MoS2 can serve as an effective nonmagnetic spacer in a magnetoresistance or tunneling magnetoresistance device with a well-defined interface.

  11. Moiré-related in-gap states in a twisted MoS2/graphite heterojunction

    KAUST Repository

    Lu, Chun-I

    2017-07-21

    This report presents a series of low-temperature (4.5 K) scanning tunneling microscopy and spectroscopy experimental results on monolayer MoS2 deposited on highly oriented pyrolytic graphite using chemical vapor deposition. To reveal the detailed connection between atomic morphology and conductivity in twisted MoS2/graphite heterojunctions, we employ high-sensitivity tunneling spectroscopy measurements by choosing a reduced tip-sample distance. We discern previously unobserved conductance peaks within the band gap range of MoS2, and by comparing the tunneling spectra from MoS2 grains of varying rotation with respect to the substrate, show that these features have small but non-negligible dependence on the moiré superstructure. Furthermore, within a single moiré supercell, atomically resolved tunneling spectroscopy measurements show that the spectra between the moiré high and low areas are also distinct. These in-gap states are shown to have an energy shift attributed to their local lattice strain, matching corresponding behavior of the conduction band edge, and we therefore infer that these features are intrinsic to the density of states, rather than experimental artifacts, and attribute them to the twisted stacking and local strain energy of the MoS2/graphite heterointerface.

  12. Exploring biological effects of MoS2 nanosheets on native structures of α-helical peptides

    International Nuclear Information System (INIS)

    Gu, Zonglin; Li, Weifeng; Hong, Linbi; Zhou, Ruhong

    2016-01-01

    Recent reports of mono- and few-layer molybdenum disulfide (MoS 2 ), a representative transition metal dichacogenide (TMD), as antibacterial and anticancer agents have shed light on their potential in biomedical applications. To better facilitate these promising applications, one needs to understand the biological effects of these TMDs as well, such as their potential adverse effects on protein structure and function. Here, we sought to understand the interaction of MoS 2 nanosheets with peptides using molecular dynamics simulations and a simple model polyalanine with various lengths (PA n , n = 10, 20, 30, and 40; mainly α − helices). Our results demonstrated that MoS 2 monolayer has an exceptional capability to bind all peptides in a fast and strong manner. The strong attraction from the MoS 2 nanosheet is more than enough to compensate the energy needed to unfold the peptide, regardless of the length, which induces drastic disruptions to the intra-peptide hydrogen bonds and subsequent secondary structures of α − helices. This universal phenomenon may point to the potential nanotoxicity of MoS 2 when used in biological systems. Moreover, these results aligned well with previous findings on the potential cytotoxicity of TMD nanomaterials.

  13. Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

    KAUST Repository

    Feng, Nan

    2014-03-26

    Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

  14. Magnetism by interfacial hybridization and p-type doping of MoS2 in Fe4N/MoS2 superlattices: A first-principles study

    KAUST Repository

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlö gl, Udo; Bai, Haili

    2014-01-01

    Magnetic and electronic properties of Fe4N(111)/MoS 2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) FeIFe II-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between FeI/Fe II and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe I. For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices. © 2014 American Chemical Society.

  15. Magnetism by interfacial hybridization and p-type doping of MoS(2) in Fe(4)N/MoS(2) superlattices: a first-principles study.

    Science.gov (United States)

    Feng, Nan; Mi, Wenbo; Cheng, Yingchun; Guo, Zaibing; Schwingenschlögl, Udo; Bai, Haili

    2014-03-26

    Magnetic and electronic properties of Fe4N(111)/MoS2(√3 × √3) superlattices are investigated by first-principles calculations, considering two models: (I) Fe(I)Fe(II)-S and (II) N-S interfaces, each with six stacking configurations. In model I, strong interfacial hybridization between Fe(I)/Fe(II) and S results in magnetism of monolayer MoS2, with a magnetic moment of 0.33 μB for Mo located on top of Fe(I). For model II, no magnetism is induced due to weak N-S interfacial bonding, and the semiconducting nature of monolayer MoS2 is preserved. Charge transfer between MoS2 and N results in p-type MoS2 with Schottky barrier heights of 0.5-0.6 eV. Our results demonstrate that the interfacial geometry and hybridization can be used to tune the magnetism and doping in Fe4N(111)/MoS2(√3 × √3) superlattices.

  16. Enhancing Photoresponsivity of Self-Aligned MoS2 Field-Effect Transistors by Piezo-Phototronic Effect from GaN Nanowires.

    Science.gov (United States)

    Liu, Xingqiang; Yang, Xiaonian; Gao, Guoyun; Yang, Zhenyu; Liu, Haitao; Li, Qiang; Lou, Zheng; Shen, Guozhen; Liao, Lei; Pan, Caofeng; Lin Wang, Zhong

    2016-08-23

    We report high-performance self-aligned MoS2 field-effect transistors (FETs) with enhanced photoresponsivity by the piezo-phototronic effect. The FETs are fabricated based on monolayer MoS2 with a piezoelectric GaN nanowire (NW) as the local gate, and a self-aligned process is employed to define the source/drain electrodes. The fabrication method allows the preservation of the intrinsic property of MoS2 and suppresses the scattering center density in the MoS2/GaN interface, which results in high electrical and photoelectric performances. MoS2 FETs with channel lengths of ∼200 nm have been fabricated with a small subthreshold slope of 64 mV/dec. The photoresponsivity is 443.3 A·W(-1), with a fast response and recovery time of ∼5 ms under 550 nm light illumination. When strain is introduced into the GaN NW, the photoresponsivity is further enhanced to 734.5 A·W(-1) and maintains consistent response and recovery time, which is comparable with that of the mechanical exfoliation of MoS2 transistors. The approach presented here opens an avenue to high-performance top-gated piezo-enhanced MoS2 photodetectors.

  17. Physically Unclonable Cryptographic Primitives by Chemical Vapor Deposition of Layered MoS2.

    Science.gov (United States)

    Alharbi, Abdullah; Armstrong, Darren; Alharbi, Somayah; Shahrjerdi, Davood

    2017-12-26

    Physically unclonable cryptographic primitives are promising for securing the rapidly growing number of electronic devices. Here, we introduce physically unclonable primitives from layered molybdenum disulfide (MoS 2 ) by leveraging the natural randomness of their island growth during chemical vapor deposition (CVD). We synthesize a MoS 2 monolayer film covered with speckles of multilayer islands, where the growth process is engineered for an optimal speckle density. Using the Clark-Evans test, we confirm that the distribution of islands on the film exhibits complete spatial randomness, hence indicating the growth of multilayer speckles is a spatial Poisson process. Such a property is highly desirable for constructing unpredictable cryptographic primitives. The security primitive is an array of 2048 pixels fabricated from this film. The complex structure of the pixels makes the physical duplication of the array impossible (i.e., physically unclonable). A unique optical response is generated by applying an optical stimulus to the structure. The basis for this unique response is the dependence of the photoemission on the number of MoS 2 layers, which by design is random throughout the film. Using a threshold value for the photoemission, we convert the optical response into binary cryptographic keys. We show that the proper selection of this threshold is crucial for maximizing combination randomness and that the optimal value of the threshold is linked directly to the growth process. This study reveals an opportunity for generating robust and versatile security primitives from layered transition metal dichalcogenides.

  18. Impact of Microstructure on MoS2 Oxidation and Friction.

    Science.gov (United States)

    Curry, John F; Wilson, Mark A; Luftman, Henry S; Strandwitz, Nicholas C; Argibay, Nicolas; Chandross, Michael; Sidebottom, Mark A; Krick, Brandon A

    2017-08-23

    This work demonstrates the role of microstructure in the friction and oxidation behavior of the lamellar solid lubricant molybdenum disulfide (MoS 2 ). We report on systematic investigations of oxidation and friction for two MoS 2 films with distinctively different microstructures-amorphous and planar/highly-ordered-before and after exposure to atomic oxygen (AO) and high-temperature (250 °C) molecular oxygen. A combination of experimental tribology, molecular dynamics simulations, X-ray photoelectron spectroscopy (XPS), and high-sensitivity low-energy ion scattering (HS-LEIS) was used to reveal new insights about the links between structure and properties of these widely utilized low-friction materials. Initially, ordered MoS 2 films showed a surprising resistance to both atomic and molecular oxygens (even at elevated temperature), retaining characteristic low friction after exposure to extreme oxidative environments. XPS shows comparable oxidation of both coatings via AO; however, monolayer resolved compositional depth profiles from HS-LEIS reveal that the microstructure of the ordered coatings limits oxidation to the first atomic layer.

  19. Low-temperature plasma-enhanced atomic layer deposition of 2-D MoS2 : Large area, thickness control and tuneable morphology

    NARCIS (Netherlands)

    Sharma, A.; Verheijen, M.A.; Wu, L.; Karwal, S.; Vandalon, V.; Knoops, H.C.M.; Sundaram, R.S.; Hofmann, J.P.; Kessels, W.M.M.; Bol, A.A.

    2018-01-01

    Low-temperature controllable synthesis of monolayer-to-multilayer thick MoS2 with tuneable morphology is demonstrated by using plasma enhanced atomic layer deposition (PEALD). The characteristic self-limiting ALD growth with a growth-per-cycle of 0.1 nm per cycle and digital thickness control down

  20. Near-unity photoluminescence quantum yield in MoS2

    KAUST Repository

    Amani, Matin; Lien, Der Hsien; Kiriya, Daisuke; Xiao, Jun; Azcatl, Angelica; Noh, Jiyoung; Madhvapathy, Surabhi R.; Addou, Rafik; Santosh, K. C.; Dubey, Madan; Cho, Kyeongjae; Wallace, Robert M.; Lee, Si Chen; He, Jr-Hau; Ager, Joel W.; Zhang, Xiang; Yablonovitch, Eli; Javey, Ali

    2015-01-01

    Two-dimensional (2D) transition metal dichalcogenides have emerged as a promising material system for optoelectronic applications, but their primary figure of merit, the room-temperature photoluminescence quantum yield (QY), is extremely low.The prototypical 2D material molybdenum disulfide (MoS2) is reported to have a maximum QYof 0.6%, which indicates a considerable defect density. Herewe report on an air-stable, solution-based chemical treatment by an organic superacid, which uniformly enhances the photoluminescence and minority carrier lifetime of MoS2 monolayers by more than two orders of magnitude.The treatment eliminates defect-mediated nonradiative recombination, thus resulting in a finalQYofmore than 95%, with a longest-observed lifetime of 10.8 0.6 nanoseconds. Our ability to obtain optoelectronic monolayers with near-perfect properties opens the door for the development of highly efficient light-emitting diodes, lasers, and solar cells based on 2D materials.

  1. Near-unity photoluminescence quantum yield in MoS2

    KAUST Repository

    Amani, Matin

    2015-11-26

    Two-dimensional (2D) transition metal dichalcogenides have emerged as a promising material system for optoelectronic applications, but their primary figure of merit, the room-temperature photoluminescence quantum yield (QY), is extremely low.The prototypical 2D material molybdenum disulfide (MoS2) is reported to have a maximum QYof 0.6%, which indicates a considerable defect density. Herewe report on an air-stable, solution-based chemical treatment by an organic superacid, which uniformly enhances the photoluminescence and minority carrier lifetime of MoS2 monolayers by more than two orders of magnitude.The treatment eliminates defect-mediated nonradiative recombination, thus resulting in a finalQYofmore than 95%, with a longest-observed lifetime of 10.8 0.6 nanoseconds. Our ability to obtain optoelectronic monolayers with near-perfect properties opens the door for the development of highly efficient light-emitting diodes, lasers, and solar cells based on 2D materials.

  2. Thermochemical study of MoS2 oxidation

    International Nuclear Information System (INIS)

    Filimonov, D.S.; Topor, N.D.; Kesler, Ya.A.

    1990-01-01

    Thermochemical studies of oxidation processes of metallic molybdenum, sulfur, molybdenum disulfide under different conditions in microcalorimeter are conducted. Values of thermal effects which are used to calculate standard formation enthalpy of MoS 2 and which correlate well are obtained. Δ f H 0 (MoS 2 ,298.15 K) recommended value constitutes (-223.0±16.7) kJ/mol

  3. Evidence of indirect gap in monolayer WSe2

    KAUST Repository

    Hsu, Wei-Ting; Lu, Li-Syuan; Wang, Dean; Huang, Jing-Kai; Li, Ming-Yang; Chang, Tay-Rong; Chou, Yi-Chia; Juang, Zhen-Yu; Jeng, Horng-Tay; Li, Lain-Jong; Chang, Wen-Hao

    2017-01-01

    Monolayer transition metal dichalcogenides, such as MoS2 and WSe2, have been known as direct gap semiconductors and emerged as new optically active materials for novel device applications. Here we reexamine their direct gap properties

  4. A force-matching Stillinger-Weber potential for MoS2: Parameterization and Fisher information theory based sensitivity analysis

    Science.gov (United States)

    Wen, Mingjian; Shirodkar, Sharmila N.; Plecháč, Petr; Kaxiras, Efthimios; Elliott, Ryan S.; Tadmor, Ellad B.

    2017-12-01

    Two-dimensional molybdenum disulfide (MoS2) is a promising material for the next generation of switchable transistors and photodetectors. In order to perform large-scale molecular simulations of the mechanical and thermal behavior of MoS2-based devices, an accurate interatomic potential is required. To this end, we have developed a Stillinger-Weber potential for monolayer MoS2. The potential parameters are optimized to reproduce the geometry (bond lengths and bond angles) of MoS2 in its equilibrium state and to match as closely as possible the forces acting on the atoms along a dynamical trajectory obtained from ab initio molecular dynamics. Verification calculations indicate that the new potential accurately predicts important material properties including the strain dependence of the cohesive energy, the elastic constants, and the linear thermal expansion coefficient. The uncertainty in the potential parameters is determined using a Fisher information theory analysis. It is found that the parameters are fully identified, and none are redundant. In addition, the Fisher information matrix provides uncertainty bounds for predictions of the potential for new properties. As an example, bounds on the average vibrational thickness of a MoS2 monolayer at finite temperature are computed and found to be consistent with the results from a molecular dynamics simulation. The new potential is available through the OpenKIM interatomic potential repository at https://openkim.org/cite/MO_201919462778_000.

  5. Nonvolatile ferroelectric memory based on PbTiO3 gated single-layer MoS2 field-effect transistor

    Science.gov (United States)

    Shin, Hyun Wook; Son, Jong Yeog

    2018-01-01

    We fabricated ferroelectric non-volatile random access memory (FeRAM) based on a field effect transistor (FET) consisting of a monolayer MoS2 channel and a ferroelectric PbTiO3 (PTO) thin film of gate insulator. An epitaxial PTO thin film was deposited on a Nb-doped SrTiO3 (Nb:STO) substrate via pulsed laser deposition. A monolayer MoS2 sheet was exfoliated from a bulk crystal and transferred to the surface of the PTO/Nb:STO. Structural and surface properties of the PTO thin film were characterized by X-ray diffraction and atomic force microscopy, respectively. Raman spectroscopy analysis was performed to identify the single-layer MoS2 sheet on the PTO/Nb:STO. We obtained mobility value (327 cm2/V·s) of the MoS2 channel at room temperature. The MoS2-PTO FeRAM FET showed a wide memory window with 17 kΩ of resistance variation which was attributed to high remnant polarization of the epitaxially grown PTO thin film. According to the fatigue resistance test for the FeRAM FET, however, the resistance states gradually varied during the switching cycles of 109. [Figure not available: see fulltext.

  6. Spin injection and magnetoresistance in MoS2-based tunnel junctions using Fe3Si Heusler alloy electrodes.

    Science.gov (United States)

    Rotjanapittayakul, Worasak; Pijitrojana, Wanchai; Archer, Thomas; Sanvito, Stefano; Prasongkit, Jariyanee

    2018-03-19

    Recently magnetic tunnel junctions using two-dimensional MoS 2 as nonmagnetic spacer have been fabricated, although their magnetoresistance has been reported to be quite low. This may be attributed to the use of permalloy electrodes, injecting current with a relatively small spin polarization. Here we evaluate the performance of MoS 2 -based tunnel junctions using Fe 3 Si Heusler alloy electrodes. Density functional theory and the non-equilibrium Green's function method are used to investigate the spin injection efficiency (SIE) and the magnetoresistance (MR) ratio as a function of the MoS 2 thickness. We find a maximum MR of ~300% with a SIE of about 80% for spacers comprising between 3 and 5 MoS 2 monolayers. Most importantly, both the SIE and the MR remain robust at finite bias, namely MR > 100% and SIE > 50% at 0.7 V. Our proposed materials stack thus demonstrates the possibility of developing a new generation of performing magnetic tunnel junctions with layered two-dimensional compounds as spacers.

  7. Transparent Large-Area MoS2 Phototransistors with Inkjet-Printed Components on Flexible Platforms.

    Science.gov (United States)

    Kim, Tae-Young; Ha, Jewook; Cho, Kyungjune; Pak, Jinsu; Seo, Jiseok; Park, Jongjang; Kim, Jae-Keun; Chung, Seungjun; Hong, Yongtaek; Lee, Takhee

    2017-10-24

    Two-dimensional (2D) transition-metal dichalcogenides (TMDCs) have gained considerable attention as an emerging semiconductor due to their promising atomically thin film characteristics with good field-effect mobility and a tunable band gap energy. However, their electronic applications have been generally realized with conventional inorganic electrodes and dielectrics implemented using conventional photolithography or transferring processes that are not compatible with large-area and flexible device applications. To facilitate the advantages of 2D TMDCs in practical applications, strategies for realizing flexible and transparent 2D electronics using low-temperature, large-area, and low-cost processes should be developed. Motivated by this challenge, we report fully printed transparent chemical vapor deposition (CVD)-synthesized monolayer molybdenum disulfide (MoS 2 ) phototransistor arrays on flexible polymer substrates. All the electronic components, including dielectric and electrodes, were directly deposited with mechanically tolerable organic materials by inkjet-printing technology onto transferred monolayer MoS 2 , and their annealing temperature of printed MoS 2 phototransistors exhibit excellent transparency and mechanically stable operation.

  8. Electron Excess Doping and Effective Schottky Barrier Reduction on the MoS2/h-BN Heterostructure.

    Science.gov (United States)

    Joo, Min-Kyu; Moon, Byoung Hee; Ji, Hyunjin; Han, Gang Hee; Kim, Hyun; Lee, Gwanmu; Lim, Seong Chu; Suh, Dongseok; Lee, Young Hee

    2016-10-12

    Layered hexagonal boron nitride (h-BN) thin film is a dielectric that surpasses carrier mobility by reducing charge scattering with silicon oxide in diverse electronics formed with graphene and transition metal dichalcogenides. However, the h-BN effect on electron doping concentration and Schottky barrier is little known. Here, we report that use of h-BN thin film as a substrate for monolayer MoS 2 can induce ∼6.5 × 10 11 cm -2 electron doping at room temperature which was determined using theoretical flat band model and interface trap density. The saturated excess electron concentration of MoS 2 on h-BN was found to be ∼5 × 10 13 cm -2 at high temperature and was significantly reduced at low temperature. Further, the inserted h-BN enables us to reduce the Coulombic charge scattering in MoS 2 /h-BN and lower the effective Schottky barrier height by a factor of 3, which gives rise to four times enhanced the field-effect carrier mobility and an emergence of metal-insulator transition at a much lower charge density of ∼1.0 × 10 12 cm -2 (T = 25 K). The reduced effective Schottky barrier height in MoS 2 /h-BN is attributed to the decreased effective work function of MoS 2 arisen from h-BN induced n-doping and the reduced effective metal work function due to dipole moments originated from fixed charges in SiO 2 .

  9. -MoS2 Lateral Heterojunctions

    KAUST Repository

    Li, Ming-yang

    2018-02-28

    2D layered heterostructures have attracted intensive interests due to their unique optical, transport, and interfacial properties. The laterally stitched heterojunction based on dissimilar 2D transition metal dichalcogenides forms an intrinsic p–n junction without the necessity of applying an external voltage. However, no scalable processes are reported to construct the devices with such lateral heterostructures. Here, a scalable strategy, two-step and location-selective chemical vapor deposition, is reported to synthesize self-aligned WSe2–MoS2 monolayer lateral heterojunction arrays and demonstrates their light-emitting devices. The proposed fabrication process enables the growth of high-quality interfaces and the first successful observation of electroluminescence at the WSe2–MoS2 lateral heterojunction. The electroluminescence study has confirmed the type-I alignment at the interface rather than commonly believed type-II alignment. This self-aligned growth process paves the way for constructing various 2D lateral heterostructures in a scalable manner, practically important for integrated 2D circuit applications.

  10. Zitterbewegung in monolayer silicene in a magnetic field

    International Nuclear Information System (INIS)

    Romera, E.; Roldán, J.B.; Santos, F. de los

    2014-01-01

    We study the Zitterbewegung in monolayer silicene under a perpendicular magnetic field. Using an effective Hamiltonian, we have investigated the autocorrelation function and the density currents in this material. Moreover, we have analyzed other types of periodicities of the system (classical and revival times). Finally, the above results are compared with their counterparts in two other monolayer materials subject to a magnetic field: graphene and MoS 2 . - Highlights: • We study Zitterbewegung in monolayer silicene in a magnetic field. • We have analyzed other types of periodicities in silicene. • The above results are compared with other monolayer materials (graphene and MoS 2 )

  11. Excitation intensity dependent photoluminescence of annealed two-dimensional MoS_2 grown by chemical vapor deposition

    International Nuclear Information System (INIS)

    Kaplan, D.; Swaminathan, V.; Mills, K.; Lee, J.; Torrel, S.

    2016-01-01

    Here, we present detailed results of Raman and photoluminescence (PL) characterization of monolayers of MoS_2 grown by chemical vapor deposition (CVD) on SiO_2/Si substrates after thermal annealing at 150 °C, 200 °C, and 250 °C in an argon atmosphere. In comparison to the as-grown monolayers, annealing in the temperature range of 150–250 °C brings about significant changes in the band edge luminescence. It is observed that annealing at 150 °C gives rise to a 100-fold increase in the PL intensity and produces a strong band at 1.852 eV attributed to a free-to-bound transition that dominates over the band edge excitonic luminescence. This band disappears for the higher annealing temperatures. The improvement in PL after the 200 °C anneal is reduced in comparison to that obtained after the 150 °C anneal; this is suggested to arise from a decrease in the non-radiative lifetime caused by the creation of sulfur di-vacancies. Annealing at 250 °C degrades the PL in comparison to the as-grown sample because of the onset of disorder/decomposition of the sample. It is clear that the PL features of the CVD-grown MoS_2 monolayer are profoundly affected by thermal annealing in Ar atmosphere. However, further detailed studies are needed to identify, unambiguously, the role of native defects and/or adsorbed species in defining the radiative channels in annealed samples so that the beneficial effect of improvement in the optical efficiency of the MoS_2 monolayers can be leveraged for various device applications.

  12. Plasmons on the edge of MoS2 nanostructures

    DEFF Research Database (Denmark)

    Andersen, Kirsten; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer

    2014-01-01

    Using ab initio calculations we predict the existence of one-dimensional (1D), atomically confined plasmons at the edges of a zigzag MoS2 nanoribbon. The strongest plasmon originates from a metallic edge state localized on the sulfur dimers decorating the Mo edge of the ribbon. A detailed analysis...... of the dielectric function reveals that the observed deviations from the ideal 1D plasmon behavior result from single-particle transitions between the metallic edge state and the valence and conduction bands of the MoS2 sheet. The Mo and S edges of the ribbon are clearly distinguishable in calculated spatially...... resolved electron energy loss spectrum owing to the different plasmonic properties of the two edges. The edge plasmons could potentially be utilized for tuning the photocatalytic activity of MoS2 nanoparticles....

  13. Uncovering edge states and electrical inhomogeneity in MoS2 field-effect transistors.

    Science.gov (United States)

    Wu, Di; Li, Xiao; Luan, Lan; Wu, Xiaoyu; Li, Wei; Yogeesh, Maruthi N; Ghosh, Rudresh; Chu, Zhaodong; Akinwande, Deji; Niu, Qian; Lai, Keji

    2016-08-02

    The understanding of various types of disorders in atomically thin transition metal dichalcogenides (TMDs), including dangling bonds at the edges, chalcogen deficiencies in the bulk, and charges in the substrate, is of fundamental importance for TMD applications in electronics and photonics. Because of the imperfections, electrons moving on these 2D crystals experience a spatially nonuniform Coulomb environment, whose effect on the charge transport has not been microscopically studied. Here, we report the mesoscopic conductance mapping in monolayer and few-layer MoS2 field-effect transistors by microwave impedance microscopy (MIM). The spatial evolution of the insulator-to-metal transition is clearly resolved. Interestingly, as the transistors are gradually turned on, electrical conduction emerges initially at the edges before appearing in the bulk of MoS2 flakes, which can be explained by our first-principles calculations. The results unambiguously confirm that the contribution of edge states to the channel conductance is significant under the threshold voltage but negligible once the bulk of the TMD device becomes conductive. Strong conductance inhomogeneity, which is associated with the fluctuations of disorder potential in the 2D sheets, is also observed in the MIM images, providing a guideline for future improvement of the device performance.

  14. Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide

    OpenAIRE

    Sun, Xiaoli; Wang, Zhiguo; Fu, Yong Qing

    2015-01-01

    Monolayer Molybdenum Disulfide (MoS2) is a promising anode material for lithium ion batteries because of its high capacities. In this work, first principle calculations based on spin density functional theory were performed to investigate adsorption and diffusion of lithium on monolayer MoS2 with defects, such as single- and few-atom vacancies, antisite, and grain boundary. The values of adsorption energies on the monolayer MoS2 with the defects were increased compared to those on the pristin...

  15. Hydrophobic Ice Confined between Graphene and MoS2

    NARCIS (Netherlands)

    Bampoulis, Pantelis; Teernstra, V.J.; Lohse, Detlef; Zandvliet, Henricus J.W.; Poelsema, Bene

    2016-01-01

    The structure and nature of water confined between hydrophobic molybdenum disulfide (MoS2) and graphene (Gr) are investigated at room temperature by means of atomic force microscopy. We find the formation of two-dimensional (2D) crystalline ice layers. In contrast to the hexagonal ice “bilayers” of

  16. Magnetoresistance in molybdenite (MoS2) crystals

    International Nuclear Information System (INIS)

    Chakraborty, B.R.; Dutta, A.K.

    1975-01-01

    The principal magnetoresistance ratios of molybdenite (MoS 2 ), the naturally occurring semiconducting crystal, have been investigated at magnetic fields ranging from 4.5 KOe and within the temperature range 300 0 K to 700 0 K. Unlike some previous observations, magnetoresistance has been found to be negative. (author)

  17. Defect-Mediated Lithium Adsorption and Diffusion on Monolayer Molybdenum Disulfide.

    Science.gov (United States)

    Sun, Xiaoli; Wang, Zhiguo; Fu, Y Q

    2015-12-22

    Monolayer Molybdenum Disulfide (MoS2) is a promising anode material for lithium ion batteries because of its high capacities. In this work, first principle calculations based on spin density functional theory were performed to investigate adsorption and diffusion of lithium on monolayer MoS2 with defects, such as single- and few-atom vacancies, antisite, and grain boundary. The values of adsorption energies on the monolayer MoS2 with the defects were increased compared to those on the pristine MoS2. The presence of defects causes that the Li is strongly bound to the monolayer MoS2 with adsorption energies in the range between 2.81 and 3.80 eV. The donation of Li 2s electron to the defects causes an enhancement of adsorption of Li on the monolayer MoS2. At the same time, the presence of defects does not apparently affect the diffusion of Li, and the energy barriers are in the range of 0.25-0.42 eV. The presence of the defects can enhance the energy storage capacity, suggesting that the monolayer MoS2 with defects is a suitable anode material for the Li-ion batteries.

  18. Plasma-assisted synthesis of MoS2

    Science.gov (United States)

    Campbell, Philip M.; Perini, Christopher J.; Chiu, Johannes; Gupta, Atul; Ray, Hunter S.; Chen, Hang; Wenzel, Kevin; Snyder, Eric; Wagner, Brent K.; Ready, Jud; Vogel, Eric M.

    2018-03-01

    There has been significant interest in transition metal dichalcogenides (TMDs), including MoS2, in recent years due to their potential application in novel electronic and optical devices. While synthesis methods have been developed for large-area films of MoS2, many of these techniques require synthesis temperatures of 800 °C or higher. As a result of the thermal budget, direct synthesis requiring high temperatures is incompatible with many integrated circuit processes as well as flexible substrates. This work explores several methods of plasma-assisted synthesis of MoS2 as a way to lower the synthesis temperature. The first approach used is conversion of a naturally oxidized molybdenum thin film to MoS2 using H2S plasma. Conversion is demonstrated at temperatures as low as 400 °C, and the conversion is enabled by hydrogen radicals which reduce the oxidized molybdenum films. The second method is a vapor phase reaction incorporating thermally evaporated MoO3 exposed to a direct H2S plasma, similar to chemical vapor deposition (CVD) synthesis of MoS2. Synthesis at 400 °C results in formation of super-stoichiometric MoS2 in a beam-interrupted growth process. A final growth method relies on a cyclical process in which a small amount of Mo is sputtered onto the substrate and is subsequently sulfurized in a H2S plasma. Similar results could be realized using an atomic layer deposition (ALD) process to deposit the Mo film. Compared to high temperature synthesis methods, the lower temperature samples are lower quality, potentially due to poor crystallinity or higher defect density in the films. Temperature-dependent conductivity measurements are consistent with hopping conduction in the plasma-assisted synthetic MoS2, suggesting a high degree of disorder in the low-temperature films. Optimization of the plasma-assisted synthesis process for slower growth rate and better stoichiometry is expected to lead to high quality films at low growth temperature.

  19. Highly Enhanced Gas Adsorption Properties in Vertically Aligned MoS2 Layers.

    Science.gov (United States)

    Cho, Soo-Yeon; Kim, Seon Joon; Lee, Youhan; Kim, Jong-Seon; Jung, Woo-Bin; Yoo, Hae-Wook; Kim, Jihan; Jung, Hee-Tae

    2015-09-22

    In this work, we demonstrate that gas adsorption is significantly higher in edge sites of vertically aligned MoS2 compared to that of the conventional basal plane exposed MoS2 films. To compare the effect of the alignment of MoS2 on the gas adsorption properties, we synthesized three distinct MoS2 films with different alignment directions ((1) horizontally aligned MoS2 (basal plane exposed), (2) mixture of horizontally aligned MoS2 and vertically aligned layers (basal and edge exposed), and (3) vertically aligned MoS2 (edge exposed)) by using rapid sulfurization method of CVD process. Vertically aligned MoS2 film shows about 5-fold enhanced sensitivity to NO2 gas molecules compared to horizontally aligned MoS2 film. Vertically aligned MoS2 has superior resistance variation compared to horizontally aligned MoS2 even with same surface area exposed to identical concentration of gas molecules. We found that electrical response to target gas molecules correlates directly with the density of the exposed edge sites of MoS2 due to high adsorption of gas molecules onto edge sites of vertically aligned MoS2. Density functional theory (DFT) calculations corroborate the experimental results as stronger NO2 binding energies are computed for multiple configurations near the edge sites of MoS2, which verifies that electrical response to target gas molecules (NO2) correlates directly with the density of the exposed edge sites of MoS2 due to high adsorption of gas molecules onto edge sites of vertically aligned MoS2. We believe that this observation extends to other 2D TMD materials as well as MoS2 and can be applied to significantly enhance the gas sensor performance in these materials.

  20. Strain distributions and their influence on electronic structures of WSe2-MoS2 laterally strained heterojunctions

    Science.gov (United States)

    Zhang, Chendong; Li, Ming-Yang; Tersoff, Jerry; Han, Yimo; Su, Yushan; Li, Lain-Jong; Muller, David A.; Shih, Chih-Kang

    2018-02-01

    Monolayer transition metal dichalcogenide heterojunctions, including vertical and lateral p-n junctions, have attracted considerable attention due to their potential applications in electronics and optoelectronics. Lattice-misfit strain in atomically abrupt lateral heterojunctions, such as WSe2-MoS2, offers a new band-engineering strategy for tailoring their electronic properties. However, this approach requires an understanding of the strain distribution and its effect on band alignment. Here, we study a WSe2-MoS2 lateral heterojunction using scanning tunnelling microscopy and image its moiré pattern to map the full two-dimensional strain tensor with high spatial resolution. Using scanning tunnelling spectroscopy, we measure both the strain and the band alignment of the WSe2-MoS2 lateral heterojunction. We find that the misfit strain induces type II to type I band alignment transformation. Scanning transmission electron microscopy reveals the dislocations at the interface that partially relieve the strain. Finally, we observe a distinctive electronic structure at the interface due to hetero-bonding.

  1. Dynamical observations on the crack tip zone and stress corrosion of two-dimensional MoS2

    KAUST Repository

    Ly, Thuc Hue

    2017-01-18

    Whether and how fracture mechanics needs to be modified for small length scales and in systems of reduced dimensionality remains an open debate. Here, employing in situ transmission electron microscopy, atomic structures and dislocation dynamics in the crack tip zone of a propagating crack in two-dimensional (2D) monolayer MoS2 membrane are observed, and atom-to-atom displacement mapping is obtained. The electron beam is used to initiate the crack; during in situ observation of crack propagation the electron beam effect is minimized. The observed high-frequency emission of dislocations is beyond previous understanding of the fracture of brittle MoS2. Strain analysis reveals dislocation emission to be closely associated with the crack propagation path in nanoscale. The critical crack tip plastic zone size of nearly perfect 2D MoS2 is between 2 and 5 nm, although it can grow to 10 nm under corrosive conditions such as ultraviolet light exposure, showing enhanced dislocation activity via defect generation.

  2. Quasi 2D electronic states with high spin-polarization in centrosymmetric MoS2 bulk crystals

    Science.gov (United States)

    Gehlmann, Mathias; Aguilera, Irene; Bihlmayer, Gustav; Młyńczak, Ewa; Eschbach, Markus; Döring, Sven; Gospodarič, Pika; Cramm, Stefan; Kardynał, Beata; Plucinski, Lukasz; Blügel, Stefan; Schneider, Claus M.

    2016-06-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit.

  3. Multimodal Kelvin Probe Force Microscopy Investigations of a Photovoltaic WSe2/MoS2 Type-II Interface.

    Science.gov (United States)

    Almadori, Yann; Bendiab, Nedjma; Grévin, Benjamin

    2018-01-10

    Atomically thin transition-metal dichalcogenides (TMDC) have become a new platform for the development of next-generation optoelectronic and light-harvesting devices. Here, we report a Kelvin probe force microscopy (KPFM) investigation carried out on a type-II photovoltaic heterojunction based on WSe 2 monolayer flakes and a bilayer MoS 2 film stacked in vertical configuration on a Si/SiO 2 substrate. Band offset characterized by a significant interfacial dipole is pointed out at the WSe 2 /MoS 2 vertical junction. The photocarrier generation process and phototransport are studied by applying a differential technique allowing to map directly two-dimensional images of the surface photovoltage (SPV) over the vertical heterojunctions (vHJ) and in its immediate vicinity. Differential SPV reveals the impact of chemical defects on the photocarrier generation and that negative charges diffuse in the MoS 2 a few hundreds of nanometers away from the vHJ. The analysis of the SPV data confirms unambiguously that light absorption results in the generation of free charge carriers that do not remain coulomb-bound at the type-II interface. A truly quantitative determination of the electron-hole (e-h) quasi-Fermi levels splitting (i.e., the open-circuit voltage) is achieved by measuring the differential vacuum-level shift over the WSe 2 flakes and the MoS 2 layer. The dependence of the energy-level splitting as a function of the optical power reveals that Shockley-Read-Hall processes significantly contribute to the interlayer recombination dynamics. Finally, a newly developed time-resolved mode of the KPFM is applied to map the SPV decay time constants. The time-resolved SPV images reveal the dynamics of delayed recombination processes originating from photocarriers trapping at the SiO 2 /TMDC interfaces.

  4. Charging effect at grain boundaries of MoS2

    Science.gov (United States)

    Yan, Chenhui; Dong, Xi; Li, Connie H.; Li, Lian

    2018-05-01

    Grain boundaries (GBs) are inherent extended defects in chemical vapor deposited (CVD) transition metal dichalcogenide (TMD) films. Characterization of the atomic structure and electronic properties of these GBs is crucial for understanding and controlling the properties of TMDs via defect engineering. Here, we report the atomic and electronic structure of GBs in CVD grown MoS2 on epitaxial graphene/SiC(0001). Using scanning tunneling microscopy/spectroscopy, we find that GBs mostly consist of arrays of dislocation cores, where the presence of mid-gap states shifts both conduction and valence band edges by up to 1 eV. Our findings demonstrate the first charging effect near GBs in CVD grown MoS2, providing insights into the significant impact GBs can have on materials properties.

  5. Rendering high charge density of states in ionic liquid-gated MoS 2 transistors

    NARCIS (Netherlands)

    Lee, Y.; Lee, J.; Kim, S.; Park, H.S.

    2014-01-01

    We investigated high charge density of states (DOS) in the bandgap of MoS2 nanosheets with variable temperature measurements on ionic liquid-gated MoS2 transistors. The thermally activated charge transport indicates that the electrical current in the two-dimensional MoS 2 nanosheets under high

  6. Enhanced thermoelectric power in two-dimensional transition metal dichalcogenide monolayers

    KAUST Repository

    Pu, Jiang; Kanahashi, Kaito; Cuong, Nguyen Thanh; Chen, Chang-Hsiao; Li, Lain-Jong; Okada, Susumu; Ohta, Hiromichi; Takenobu, Taishi

    2016-01-01

    The carrier-density-dependent conductance and thermoelectric properties of large-area MoS2 and WSe2 monolayers are simultaneously investigated using the electrolyte gating method. The sign of the thermoelectric power changes across the transistor

  7. Band structural properties of MoS2 (molybdenite)

    International Nuclear Information System (INIS)

    Gupta, V.P.

    1980-01-01

    Semiconductivity and superconductivity in MoS 2 (molybdenite) can be understood in terms of the band structure of MoS 2 . The band structural properties of MoS 2 are presented here. The energy dependence of nsub(eff) and epsilon(infinity)sub(eff) is investigated. Using calculated values of nsub(eff) and epsilon(infinity)sub(eff), the Penn gap has been determined. The value thus obtained is shown to be in good agreement with the reflectivity data and also with the value obtained from the band structure. The Ravindra and Srivastava formula has been shown to give values for the isobaric temperature gradient of Esub(G)[(deltaEsub(G)/deltaT)sub(P)], which are in agreement with the experimental data, and the contribution to (deltaEsub(G)/deltaT)sub(P) due to the electron lattice interaction has been evaluated. In addition, the electronic polarizability has been calculated using a modified Lorentz-Lorenz relation. (author)

  8. Strain-Gated Field Effect Transistor of a MoS2-ZnO 2D-1D Hybrid Structure.

    Science.gov (United States)

    Chen, Libo; Xue, Fei; Li, Xiaohui; Huang, Xin; Wang, Longfei; Kou, Jinzong; Wang, Zhong Lin

    2016-01-26

    Two-dimensional (2D) molybdenum disulfide (MoS2) is an exciting material due to its unique electrical, optical, and piezoelectric properties. Owing to an intrinsic band gap of 1.2-1.9 eV, monolayer or a-few-layer MoS2 is used for fabricating field effect transistors (FETs) with high electron mobility and on/off ratio. However, the traditional FETs are controlled by an externally supplied gate voltage, which may not be sensitive enough to directly interface with a mechanical stimulus for applications in electronic skin. Here we report a type of top-pressure/force-gated field effect transistors (PGFETs) based on a hybrid structure of a 2D MoS2 flake and 1D ZnO nanowire (NW) array. Once an external pressure is applied, the piezoelectric polarization charges created at the tips of ZnO NWs grown on MoS2 act as a gate voltage to tune/control the source-drain transport property in MoS2. At a 6.25 MPa applied stimulus on a packaged device, the source-drain current can be tuned for ∼25%, equivalent to the results of applying an extra -5 V back gate voltage. Another type of PGFET with a dielectric layer (Al2O3) sandwiched between MoS2 and ZnO also shows consistent results. A theoretical model is proposed to interpret the received data. This study sets the foundation for applying the 2D material-based FETs in the field of artificial intelligence.

  9. Tailored MoS2 nanorods: a simple microwave assisted synthesis

    Science.gov (United States)

    Reshmi, S.; Akshaya, M. V.; Satpati, Biswarup; Roy, Anupam; Basu, Palash Kumar; Bhattacharjee, K.

    2017-11-01

    We report here the synthesis of MoS2 nanostructures by a simple liquid phase exfoliation of MoS2 powder in organic solvents followed by microwave treatment. The probe sonication and the microwave treatment play an important role in rolling and curling of the MoS2 nanosheets to give rise to MoS2 spheres and rod/tube like-structures with diameter approximately 150-200 nm. The MoS2 nanorods formed in this fashion are hollow inside with a wall thickness of 15-20 nm and the length of the nanorods is found in the order of several micrometers. Synthesis of such tailored MoS2 nanorods by liquid phase exfoliation is not yet reported. Our observations suggest the 2H phase of bulk MoS2 remains preserved in the nanostructures with high crystalline quality.

  10. Monolayer MoSe 2 Grown by Chemical Vapor Deposition for Fast Photodetection

    KAUST Repository

    Chang, Yung-Huang

    2014-08-26

    Monolayer molybdenum disulfide (MoS2) has become a promising building block in optoelectronics for its high photosensitivity. However, sulfur vacancies and other defects significantly affect the electrical and optoelectronic properties of monolayer MoS2 devices. Here, highly crystalline molybdenum diselenide (MoSe2) monolayers have been successfully synthesized by the chemical vapor deposition (CVD) method. Low-temperature photoluminescence comparison for MoS2 and MoSe 2 monolayers reveals that the MoSe2 monolayer shows a much weaker bound exciton peak; hence, the phototransistor based on MoSe2 presents a much faster response time (<25 ms) than the corresponding 30 s for the CVD MoS2 monolayer at room temperature in ambient conditions. The images obtained from transmission electron microscopy indicate that the MoSe exhibits fewer defects than MoS2. This work provides the fundamental understanding for the differences in optoelectronic behaviors between MoSe2 and MoS2 and is useful for guiding future designs in 2D material-based optoelectronic devices. © 2014 American Chemical Society.

  11. Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1-4) cluster toppings and fillings: A first-principles investigation

    Science.gov (United States)

    Zhang, Meng; Huang, Zhongjia; Wang, Xiao; Zhang, Hongyu; Li, Taohai; Wu, Zhaolong; Luo, Youhua; Cao, Wei

    2016-01-01

    The inorganic layered crystal (ILC) MoS2 in low dimensions is considered as one of the most promising and efficient semiconductors. To enable the magnetism and keep intrinsic crystal structures, we carried out a first-principles study of the magnetic and semiconductive monolayer MoS2 adsorbed with the Mnn (n = 1-4) clusters, and bilayer MoS2 intercalated with the same clusters. Geometric optimizations of the Mnn@MoS2 systems show the complexes prefer to have Mnn@MoS2(M) pizza and Mnn@MoS2(B) sandwich forms in the mono- and bi-layered cases, respectively. Introductions of the clusters will enhance complex stabilities, while bonds and charge transfers are found between external Mn clusters and the S atoms in the hosts. The pizzas have medium magnetic moments of 3, 6, 9, 4 μB and sandwiches of 3, 2, 3, 2 μB following the manganese numbers. The pizzas and sandwiches are semiconductors, but with narrower bandgaps compared to their corresponding pristine hosts. Direct bandgaps were found in the Mnn@MoS2(M) (n = 1,4) pizzas, and excitingly in the Mn1@MoS2(B) sandwich. Combining functional clusters to the layered hosts, the present work shows a novel material manipulation strategy to boost semiconductive ILCs applications in magnetics.

  12. Industrial grade 2D molybdenum disulphide (MoS2): an in vitro exploration of the impact on cellular uptake, cytotoxicity, and inflammation

    Science.gov (United States)

    Moore, Caroline; Movia, Dania; Smith, Ronan J.; Hanlon, Damien; Lebre, Filipa; Lavelle, Ed C.; Byrne, Hugh J.; Coleman, Jonathan N.; Volkov, Yuri; McIntyre, Jennifer

    2017-06-01

    The recent surge in graphene research, since its liquid phase monolayer isolation and characterization in 2004, has led to advancements which are accelerating the exploration of alternative 2D materials such as molybdenum disulphide (MoS2), whose unique physico-chemical properties can be exploited in applications ranging from cutting edge electronic devices to nanomedicine. However, to assess any potential impact on human health and the environment, the need to understand the bio-interaction of MoS2 at a cellular and sub-cellular level is critical. Notably, it is important to assess such potential impacts of materials which are produced by large scale production techniques, rather than research grade materials. The aim of this study was to explore cytotoxicity, cellular uptake and inflammatory responses in established cell-lines that mimic different potential exposure routes (inhalation, A549; ingestion, AGS; monocyte, THP-1) following incubation with MoS2 flakes of varying sizes (50 nm, 117 nm and 177 nm), produced by liquid phase exfoliation. Using high content screening (HCS) and Live/Dead assays, it was established that 1 µg ml-1 (for the three different MoS2 sizes) did not induce toxic effects on any of the cell-lines. Confocal microscopy images revealed a normal cellular morphology in all cases. Transmission electron microscopy (TEM) confirmed the uptake of all MoS2 nanomaterials in all the cell-lines, the MoS2 ultimately locating in single membrane vesicles. At such sub-lethal doses, inflammatory responses are observed, however, associated, at least partially, with the presence of lipopolysaccharide endotoxin in nanomaterial suspensions and surfactant samples. Therefore, the inflammatory response of the cells to the MoS2 or endotoxin contamination was interrogated using a 10-plex ELISA which illustrates cytokine production. The experiments carried out using wild-type and endotoxin hyporesponsive bone marrow derived dendritic cells confirmed that the

  13. Atomic and electronic structure of MoS2 nanoparticles

    DEFF Research Database (Denmark)

    Bollinger, Mikkel; Jacobsen, Karsten Wedel; Nørskov, Jens Kehlet

    2003-01-01

    Using density-functional theory (DFT) we present a detailed theoretical study of MoS2 nanoparticles. We focus on the edge structures, and a number of different edge terminations are investigated. Several, but not all, of these configurations have one-dimensional metallic states localized at the e...... and the composition of the gas phase. Using the Tersoff-Hamann formalism, scanning-tunneling microscopy (STM) images of the edges are simulated for direct comparison with recent STM experiments. In this way we identify the experimentally observed edge structure....

  14. High conductivity graphene-like MoS2/polyaniline nanocomposites and its application in supercapacitor

    International Nuclear Information System (INIS)

    Wang, Jin; Wu, Zongchao; Hu, Kunhong; Chen, Xiangying; Yin, Huabing

    2015-01-01

    Highlights: • A facile synthesis method of MoS 2 /PANI intercalated nanocomposites is developed. • There is synergistic effect between PANI and MoS 2 layer in the MoS 2 /PANI composites. • Intercalation is benefit for electrons transportation and conductivity increase. • The well-defined MoS 2 /PANI have good specific capacitances and long cyclic life. - Abstract: High conductivity nanocomposites of molybdenum disulfide (MoS 2 )/polyaniline (PANI) were prepared via direct intercalation of aniline monomer and doped with dodecyl benzene sulfonic acid (DBSA). The intercalated interaction between PANI and MoS 2 improves the conductivity and thermal stability of MoS 2 /PANI nanocomposites with the increasing fraction of MoS 2 . The conductivity and maximum weight loss velocity temperature of PANI/MoS 2 -38 sample are 2.38 S cm −1 and 353 °C, respectively. This architecture is also advantageous for enhancing the capacitance properties and cyclic stabilities of MoS 2 /PANI electrodes. In comparison to the specific capacitance of 131 F/g and 42% retained capacitance over 600 cycles of PANI electrode, the MoS 2 /PANI-38 electrode provides a specific capacitance up to 390 F/g and 86% retained capacitance over 1000 cycles. Thus it provides an improved capacitance method which synergistically combines pseudocapacitance and double-layer capacitance for supercapacitor electrodes

  15. Synthesis of Epitaxial Single-Layer MoS2 on Au(111).

    Science.gov (United States)

    Grønborg, Signe S; Ulstrup, Søren; Bianchi, Marco; Dendzik, Maciej; Sanders, Charlotte E; Lauritsen, Jeppe V; Hofmann, Philip; Miwa, Jill A

    2015-09-08

    We present a method for synthesizing large area epitaxial single-layer MoS2 on the Au(111) surface in ultrahigh vacuum. Using scanning tunneling microscopy and low energy electron diffraction, the evolution of the growth is followed from nanoscale single-layer MoS2 islands to a continuous MoS2 layer. An exceptionally good control over the MoS2 coverage is maintained using an approach based on cycles of Mo evaporation and sulfurization to first nucleate the MoS2 nanoislands and then gradually increase their size. During this growth process the native herringbone reconstruction of Au(111) is lifted as shown by low energy electron diffraction measurements. Within the MoS2 islands, we identify domains rotated by 60° that lead to atomically sharp line defects at domain boundaries. As the MoS2 coverage approaches the limit of a complete single layer, the formation of bilayer MoS2 islands is initiated. Angle-resolved photoemission spectroscopy measurements of both single and bilayer MoS2 samples show a dramatic change in their band structure around the center of the Brillouin zone. Brief exposure to air after removing the MoS2 layer from vacuum is not found to affect its quality.

  16. Large-Area Chemical Vapor Deposited MoS2 with Transparent Conducting Oxide Contacts toward Fully Transparent 2D Electronics

    KAUST Repository

    Dai, Zhenyu

    2017-09-08

    2D semiconductors are poised to revolutionize the future of electronics and photonics, much like transparent oxide conductors and semiconductors have revolutionized the display industry. Herein, these two types of materials are combined to realize fully transparent 2D electronic devices and circuits. Specifically, a large-area chemical vapor deposition process is developed to grow monolayer MoS2 continuous films, which are, for the first time, combined with transparent conducting oxide (TCO) contacts. Transparent conducting aluminum doped zinc oxide contacts are deposited by atomic layer deposition, with composition tuning to achieve optimal conductivity and band-offsets with MoS2. The optimized process gives fully transparent TCO/MoS2 2D electronics with average visible-range transmittance of 85%. The transistors show high mobility (4.2 cm2 V−1 s−1), fast switching speed (0.114 V dec−1), very low threshold voltage (0.69 V), and large switching ratio (4 × 108). To our knowledge, these are the lowest threshold voltage and subthreshold swing values reported for monolayer chemical vapor deposition MoS2 transistors. The transparent inverters show fast switching properties with a gain of 155 at a supply voltage of 10 V. The results demonstrate that transparent conducting oxides can be used as contact materials for 2D semiconductors, which opens new possibilities in 2D electronic and photonic applications.

  17. Construction of MoS2/Si nanowire array heterojunction for ultrahigh-sensitivity gas sensor

    Science.gov (United States)

    Wu, Di; Lou, Zhenhua; Wang, Yuange; Xu, Tingting; Shi, Zhifeng; Xu, Junmin; Tian, Yongtao; Li, Xinjian

    2017-10-01

    Few-layer MoS2 thin films were synthesized by a two-step thermal decomposition process. In addition, MoS2/Si nanowire array (SiNWA) heterojunctions exhibiting excellent gas sensing properties were constructed and investigated. Further analysis reveals that such MoS2/SiNWA heterojunction devices are highly sensitive to nitric oxide (NO) gas under reverse voltages at room temperature (RT). The gas sensor demonstrated a minimum detection limit of 10 ppb, which represents the lowest value obtained for MoS2-based sensors, as well as an ultrahigh response of 3518% (50 ppm NO, ˜50% RH), with good repeatability and selectivity of the MoS2/SiNWA heterojunction. The sensing mechanisms were also discussed. The performance of the MoS2/SiNWA heterojunction gas sensors is superior to previous results, revealing that they have great potential in applications relating to highly sensitive gas sensors.

  18. Study on the performance of MoS2 modified PTFE composites by molding process

    Science.gov (United States)

    Ma, Weiqiang; Hou, Genliang; Bi, Song; Li, Ping; Li, Penghui

    2017-10-01

    MoS2 filled PTFE composites were prepared by cold pressing and sintering molding. The compressive and creep properties of composite materials were analyzed by controlling the size of molded composites during molding. The results show that the composites have the best compressive and creep resistance when the molding pressure is 55 MPa in the MoS2 composites with 15% mass fraction, which is a practical reference for the preparation of MoS2-modified PTFE composites.

  19. Interfacial chemical reactions between MoS2 lubricants and bearing materials

    Science.gov (United States)

    Zabinski, J. S.; Tatarchuk, B. J.

    1989-01-01

    XPS and conversion-electron Moessbauer spectroscopy (CEMS) were used to examine iron that was deposited on the basal plane of MoS2 single crystals and subjected to vacuum annealing, oxidizing, and reducing environments. Iron either intercalated into the MoS2 structure or formed oriented iron sulfides, depending on the level of excess S in the MoS2 structure. CEMS data demonstrated that iron sulfide crystal structures preferentially aligned with respect to the MoS2 basal plane, and that alignment (and potentially adhesion) could be varied by appropriate high-temperature annealing procedures.

  20. Sequential structural and optical evolution of MoS2 by chemical synthesis and exfoliation

    Science.gov (United States)

    Kim, Ju Hwan; Kim, Jungkil; Oh, Si Duck; Kim, Sung; Choi, Suk-Ho

    2015-06-01

    Various types of MoS2 structures are successfully obtained by using economical and facile sequential synthesis and exfoliation methods. Spherically-shaped lumps of multilayer (ML) MoS2 are prepared by using a conventional hydrothermal method and were subsequently 1st-exfoliated in hydrazine while being kept in autoclave to be unrolled and separated into five-to-six-layer MoS2 pieces of several-hundred nm in size. The MoS2 MLs are 2nd-exfoliated in sodium naphthalenide under an Ar ambient to finally produce bilayer MoS2 crystals of ~100 nm. The sequential exfoliation processes downsize MoS2 laterally and reduce its number of layers. The three types of MoS2 allotropes exhibit particular optical properties corresponding to their structural differences. These results suggest that two-dimensional MoS2 crystals can be prepared by employing only chemical techniques without starting from high-pressure-synthesized bulk MoS2 crystals.

  1. Richardson constant and electrostatics in transfer-free CVD grown few-layer MoS2/graphene barristor with Schottky barrier modulation >0.6eV

    Science.gov (United States)

    Jahangir, Ifat; Uddin, M. Ahsan; Singh, Amol K.; Koley, Goutam; Chandrashekhar, M. V. S.

    2017-10-01

    We demonstrate a large area MoS2/graphene barristor, using a transfer-free method for producing 3-5 monolayer (ML) thick MoS2. The gate-controlled diodes show good rectification, with an ON/OFF ratio of ˜103. The temperature dependent back-gated study reveals Richardson's coefficient to be 80.3 ± 18.4 A/cm2/K and a mean electron effective mass of (0.66 ± 0.15)m0. Capacitance and current based measurements show the effective barrier height to vary over a large range of 0.24-0.91 eV due to incomplete field screening through the thin MoS2. Finally, we show that this barristor shows significant visible photoresponse, scaling with the Schottky barrier height. A response time of ˜10 s suggests that photoconductive gain is present in this device, resulting in high external quantum efficiency.

  2. Low-Frequency Interlayer Raman Modes to Probe Interface of Twisted Bilayer MoS2.

    Science.gov (United States)

    Huang, Shengxi; Liang, Liangbo; Ling, Xi; Puretzky, Alexander A; Geohegan, David B; Sumpter, Bobby G; Kong, Jing; Meunier, Vincent; Dresselhaus, Mildred S

    2016-02-10

    van der Waals homo- and heterostructures assembled by stamping monolayers together present optoelectronic properties suitable for diverse applications. Understanding the details of the interlayer stacking and resulting coupling is crucial for tuning these properties. We investigated the low-frequency interlayer shear and breathing Raman modes (frequency and intensity changes of low-frequency modes. The frequency variation can be up to 8 cm(-1) and the intensity can vary by a factor of ∼5 for twisting angles near 0° and 60°, where the stacking is a mixture of high-symmetry stacking patterns and is thus sensitive to twisting. For twisting angles between 20° and 40°, the interlayer coupling is nearly constant because the stacking results in mismatched lattices over the entire sample. It follows that the Raman signature is relatively uniform. Note that for some samples, multiple breathing mode peaks appear, indicating nonuniform coupling across the interface. In contrast to the low-frequency interlayer modes, high-frequency intralayer Raman modes are much less sensitive to interlayer stacking and coupling. This research demonstrates the effectiveness of low-frequency Raman modes for probing the interfacial coupling and environment of twisted bilayer MoS2 and potentially other two-dimensional materials and heterostructures.

  3. MoS2-modified ZnO quantum dots nanocomposite: Synthesis and ultrafast humidity response

    International Nuclear Information System (INIS)

    Ze, Lu; Yueqiu, Gong; Xujun, Li; Yong, Zhang

    2017-01-01

    Highlights: • MoS 2 @ZnO QDs composite structure was synthesized by two-steps methods. • Ultrafast humidity sensing response is achieved by MoS 2 @ZnO QDs humidity sensor. • Sensor performs excellent cycle stability from 11% to 95% RH. • Humidity sensor could detect wide humidity range (11–95%). - Abstract: In this work, ZnO quantum dots (QDs), layered MoS 2 and MoS 2 -modified ZnO QDs (MoS 2 @ZnO QDs) nanocomposite were synthesized and then applied as humidity sensor. The crystal structure, morphology and element distribution of ZnO QDs, MoS 2 and MoS 2 @ZnO QDs were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectrometry, respectively. The humidity sensing characteristics of the MoS 2 and MoS 2 @ZnO QDs against various relative humidity were measured at room temperature. The results show that the MoS 2 @ZnO QDs sensor exhibits high sensitivity with an impedance variation of three or four orders of magnitude to relative humidity range of 11–95% and it exhibits a short response-recovery time (1 s for adsorption and 20 s for desorption) and excellent repeatability. The mechanisms of the excellent performance for humidity sensing of MoS 2 @ZnO QDs sensor were discussed based on its impedance properties. Our work could offer guidelines to design higher performance especially ultrafast humidity response sensor utilizing the nanocomposite structure with two dimensional material and QDs.

  4. Impact of N-plasma and Ga-irradiation on MoS2 layer in molecular beam epitaxy

    KAUST Repository

    Mishra, Pawan

    2017-01-03

    Recent interest in two-dimensional materials has resulted in ultra-thin devices based on the transfer of transition metal dichalcogenides (TMDs) onto other TMDs or III-nitride materials. In this investigation, we realized p-type monolayer (ML) MoS2, and intrinsic GaN/p-type MoS2 heterojunction by the GaN overgrowth on ML-MoS2/c-sapphire using the plasma-assisted molecular beam epitaxy. A systematic nitrogen plasma (N∗2N2*) and gallium (Ga) irradiation studies are employed to understand the individual effect on the doping levels of ML-MoS2, which is evaluated by micro-Raman and high-resolution X-Ray photoelectron spectroscopy (HRXPS) measurements. With both methods, p-type doping was attained and was verified by softening and strengthening of characteristics phonon modes E12gE2g1 and A1gA1g from Raman spectroscopy. With adequate N∗2N2*-irradiation (3 min), respective shift of 1.79 cm−1 for A1gA1g and 1.11 cm−1 for E12gE2g1 are obtained while short term Ga-irradiated (30 s) exhibits the shift of 1.51 cm−1 for A1gA1g and 0.93 cm−1 for E12gE2g1. Moreover, in HRXPS valence band spectra analysis, the position of valence band maximum measured with respect to the Fermi level is determined to evaluate the type of doping levels in ML-MoS2. The observed values of valance band maximum are reduced to 0.5, and 0.2 eV from the intrinsic value of ≈1.0 eV for N∗2N2*- and Ga-irradiated MoS2 layers, which confirms the p-type doping of ML-MoS2. Further p-type doping is verified by Hall effect measurements. Thus, by GaN overgrowth, we attained the building block of intrinsic GaN/p-type MoS2 heterojunction. Through this work, we have provided the platform for the realization of dissimilar heterostructure via monolithic approach.

  5. Impact of N-plasma and Ga-irradiation on MoS2 layer in molecular beam epitaxy

    Science.gov (United States)

    Mishra, Pawan; Tangi, Malleswararao; Ng, Tien Khee; Hedhili, Mohamed Nejib; Anjum, Dalaver H.; Alias, Mohd Sharizal; Tseng, Chien-Chih; Li, Lain-Jong; Ooi, Boon S.

    2017-01-01

    Recent interest in two-dimensional materials has resulted in ultra-thin devices based on the transfer of transition metal dichalcogenides (TMDs) onto other TMDs or III-nitride materials. In this investigation, we realized p-type monolayer (ML) MoS2, and intrinsic GaN/p-type MoS2 heterojunction by the GaN overgrowth on ML-MoS2/c-sapphire using the plasma-assisted molecular beam epitaxy. A systematic nitrogen plasma ( N2 * ) and gallium (Ga) irradiation studies are employed to understand the individual effect on the doping levels of ML-MoS2, which is evaluated by micro-Raman and high-resolution X-Ray photoelectron spectroscopy (HRXPS) measurements. With both methods, p-type doping was attained and was verified by softening and strengthening of characteristics phonon modes E2 g 1 and A 1 g from Raman spectroscopy. With adequate N2 * -irradiation (3 min), respective shift of 1.79 cm-1 for A 1 g and 1.11 cm-1 for E2 g 1 are obtained while short term Ga-irradiated (30 s) exhibits the shift of 1.51 cm-1 for A 1 g and 0.93 cm-1 for E2 g 1 . Moreover, in HRXPS valence band spectra analysis, the position of valence band maximum measured with respect to the Fermi level is determined to evaluate the type of doping levels in ML-MoS2. The observed values of valance band maximum are reduced to 0.5, and 0.2 eV from the intrinsic value of ≈1.0 eV for N2 * - and Ga-irradiated MoS2 layers, which confirms the p-type doping of ML-MoS2. Further p-type doping is verified by Hall effect measurements. Thus, by GaN overgrowth, we attained the building block of intrinsic GaN/p-type MoS2 heterojunction. Through this work, we have provided the platform for the realization of dissimilar heterostructure via monolithic approach.

  6. Soft Coulomb gap and asymmetric scaling towards metal-insulator quantum criticality in multilayer MoS2.

    Science.gov (United States)

    Moon, Byoung Hee; Bae, Jung Jun; Joo, Min-Kyu; Choi, Homin; Han, Gang Hee; Lim, Hanjo; Lee, Young Hee

    2018-05-24

    Quantum localization-delocalization of carriers are well described by either carrier-carrier interaction or disorder. When both effects come into play, however, a comprehensive understanding is not well established mainly due to complexity and sparse experimental data. Recently developed two-dimensional layered materials are ideal in describing such mesoscopic critical phenomena as they have both strong interactions and disorder. The transport in the insulating phase is well described by the soft Coulomb gap picture, which demonstrates the contribution of both interactions and disorder. Using this picture, we demonstrate the critical power law behavior of the localization length, supporting quantum criticality. We observe asymmetric critical exponents around the metal-insulator transition through temperature scaling analysis, which originates from poor screening in insulating regime and conversely strong screening in metallic regime due to free carriers. The effect of asymmetric scaling behavior is weakened in monolayer MoS 2 due to a dominating disorder.

  7. Electrical characteristics of multilayer MoS2 FET's with MoS2/graphene heterojunction contacts.

    Science.gov (United States)

    Kwak, Joon Young; Hwang, Jeonghyun; Calderon, Brian; Alsalman, Hussain; Munoz, Nini; Schutter, Brian; Spencer, Michael G

    2014-08-13

    The electrical properties of multilayer MoS2/graphene heterojunction transistors are investigated. Temperature-dependent I-V measurements indicate the concentration of unintentional donors in exfoliated MoS2 to be 3.57 × 10(11) cm(-2), while the ionized donor concentration is determined as 3.61 × 10(10) cm(-2). The temperature-dependent measurements also reveal two dominant donor levels, one at 0.27 eV below the conduction band and another located at 0.05 eV below the conduction band. The I-V characteristics are asymmetric with drain bias voltage and dependent on the junction used for the source or drain contact. I-V characteristics of the device are consistent with a long channel one-dimensional field-effect transistor model with Schottky contact. Utilizing devices, which have both graphene/MoS2 and Ti/MoS2 contacts, the Schottky barrier heights of both interfaces are measured. The charge transport mechanism in both junctions was determined to be either thermionic-field emission or field emission depending on bias voltage and temperature. On the basis of a thermionic field emission model, the barrier height at the graphene/MoS2 interface was determined to be 0.23 eV, while the barrier height at the Ti/MoS2 interface was 0.40 eV. The value of Ti/MoS2 barrier is higher than previously reported values, which did not include the effects of thermionic field emission.

  8. Strongly luminescent monolayered MoS2 prepared by effective ultrasound exfoliation

    Czech Academy of Sciences Publication Activity Database

    Štengl, Václav; Henych, Jiří

    2013-01-01

    Roč. 5, č. 8 (2013), s. 3387-3394 ISSN 2040-3364 Institutional support: RVO:61388980 Keywords : 2-dimensional nanosheets * graphene analogs * quantum dots * photoluminescence * nanotubes Subject RIV: CA - Inorganic Chemistry Impact factor: 6.739, year: 2013

  9. Gap plasmon-enhanced photoluminescence of monolayer MoS2 in hybrid nanostructure

    Science.gov (United States)

    Yu, Le; Liu, Di; Qi, Xiao-Zhuo; Xiong, Xiao; Feng, Lan-Tian; Li, Ming; Guo, Guo-Ping; Guo, Guang-Can; Ren, Xi-Feng

    2018-04-01

    Not Available Project supported by the National Natural Science Foundation of China (Grant Nos. 61590932 and 11774333), the Anhui Initiative Project in Quantum Information Technologies, China (Grant No. AHY130300), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB24030600), the National Key Research and Development Program of China (Grant No. 2016YFA0301700), and the Fundamental Research Funds for the Central Universities, China.

  10. Few-layer MoS2 as nitrogen protective barrier

    Science.gov (United States)

    Akbali, B.; Yanilmaz, A.; Tomak, A.; Tongay, S.; Çelebi, C.; Sahin, H.

    2017-10-01

    We report experimental and theoretical investigations of the observed barrier behavior of few-layer MoS2 against nitrogenation. Owing to its low-strength shearing, low friction coefficient, and high lubricity, MoS2 exhibits the demeanor of a natural N-resistant coating material. Raman spectroscopy is done to determine the coating capability of MoS2 on graphene. Surface morphology of our MoS2/graphene heterostructure is characterized by using optical microscopy, scanning electron microscopy, and atomic force microscopy. In addition, density functional theory-based calculations are performed to understand the energy barrier performance of MoS2 against nitrogenation. The penetration of nitrogen atoms through a defect-free MoS2 layer is prevented by a very high vertical diffusion barrier, indicating that MoS2 can serve as a protective layer for the nitrogenation of graphene. Our experimental and theoretical results show that MoS2 material can be used both as an efficient nanocoating material and as a nanoscale mask for selective nitrogenation of graphene layer.

  11. Hydrothermal synthesis of flower-like MoS2 nanospheres for electrochemical supercapacitors.

    Science.gov (United States)

    Zhou, Xiaoping; Xu, Bin; Lin, Zhengfeng; Shu, Dong; Ma, Lin

    2014-09-01

    Flower-like MoS2 nanospheres were synthesized by a hydrothermal route. The structure and surface morphology of the as-prepared MoS2 was characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The supercapacitive behavior of MoS2 in 1 M KCl electrolyte was studied by means of cyclic voltammetry (CV), constant current charge-discharge cycling (CD) and electrochemical impedance spectroscopy (EIS). The XRD results indicate that the as-prepared MoS2 has good crystallinity. SEM images show that the MoS2 nanospheres have uniform sizes with mean diameter about 300 nm. Many nanosheets growing on the surface make the MoS2 nanospheres to be a flower-like structure. The specific capacitance of MoS2 is 122 F x g(-1) at 1 A x g(-1) or 114 F x g(-1) at 2 mv s(-1). All the experimental results indicate that MoS2 is a promising electrode material for electrochemical supercapacitors.

  12. Morphology-controlled synthesis of MoS2 nanostructures with different lithium storage properties

    International Nuclear Information System (INIS)

    Wang, Xiwen; Zhang, Zhian; Chen, Yaqiong; Qu, Yaohui; Lai, Yanqing; Li, Jie

    2014-01-01

    Highlights: • MoS 2 nanospheres, nanoribbons and nanoparticles were prepared by hydrothermal method. • The surfactant and temperature control the shape and crystal structure of MoS 2 . • MoS 2 nanospheres exhibit the excellent lithium storage property. - Abstract: A one-step hydrothermal process was employed to prepare a series of MoS 2 nanostructures via simply altering the surfactant as soft template and hydrothermal reaction temperature. Three kinds of MoS 2 nanostructures (three-dimensional (3D) hierarchical nanospheres, one-dimensional (1D) nanoribbons, and large aggregated nanoparticles) were successfully achieved and investigated well by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), high resolution transmission electron microscopy (HRTEM), and Brunauer–Emmett–Teller analysis (BET). Electrochemical tests reveal that these MoS 2 samples could deliver high initial discharge capacities (higher than 1050.0 mA h g −1 ), but various cycling performances. The hierarchical MoS 2 nanospheres assembled by sheet-like subunits show the highest specific capacity of 1355.1 mA h g −1 , and 66.8% of which can be retained after 50 cycles. The good lithium storage property of hierarchical MoS 2 nanospheres can be attributed to the higher electrolyte/MoS 2 contact area and stable 3D layered structure

  13. Atomic-scale structure of single-layer MoS2 nanoclusters

    DEFF Research Database (Denmark)

    Helveg, S.; Lauritsen, J. V.; Lægsgaard, E.

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2...

  14. Non-stoichiometry of MoS2 phase prepared by sputtering

    International Nuclear Information System (INIS)

    Ito, T.; Nakajima, K.

    1978-01-01

    The lattice parameters and S/Mo atomic ratio in sputtered MoS 2 films have been examined as a function of sputtering conditions, especially the vacuum pressure in the chamber. It was found that the deposited films had a defect MoS 2 structure ranging from 1.6 to 2 in S/Mo ratio, depending on the pressure. (author)

  15. Strain-Mediated Interlayer Coupling Effects on the Excitonic Behaviors in an Epitaxially Grown MoS2/WS2 van der Waals Heterobilayer.

    Science.gov (United States)

    Pak, Sangyeon; Lee, Juwon; Lee, Young-Woo; Jang, A-Rang; Ahn, Seongjoon; Ma, Kyung Yeol; Cho, Yuljae; Hong, John; Lee, Sanghyo; Jeong, Hu Young; Im, Hyunsik; Shin, Hyeon Suk; Morris, Stephen M; Cha, SeungNam; Sohn, Jung Inn; Kim, Jong Min

    2017-09-13

    van der Waals heterostructures composed of two different monolayer crystals have recently attracted attention as a powerful and versatile platform for studying fundamental physics, as well as having great potential in future functional devices because of the diversity in the band alignments and the unique interlayer coupling that occurs at the heterojunction interface. However, despite these attractive features, a fundamental understanding of the underlying physics accounting for the effect of interlayer coupling on the interactions between electrons, photons, and phonons in the stacked heterobilayer is still lacking. Here, we demonstrate a detailed analysis of the strain-dependent excitonic behavior of an epitaxially grown MoS 2 /WS 2 vertical heterostructure under uniaxial tensile and compressive strain that enables the interlayer interactions to be modulated along with the electronic band structure. We find that the strain-modulated interlayer coupling directly affects the characteristic combined vibrational and excitonic properties of each monolayer in the heterobilayer. It is further revealed that the relative photoluminescence intensity ratio of WS 2 to MoS 2 in our heterobilayer increases monotonically with tensile strain and decreases with compressive strain. We attribute the strain-dependent emission behavior of the heterobilayer to the modulation of the band structure for each monolayer, which is dictated by the alterations in the band gap transitions. These findings present an important pathway toward designing heterostructures and flexible devices.

  16. Monolayer MoSe 2 Grown by Chemical Vapor Deposition for Fast Photodetection

    KAUST Repository

    Chang, Yung-Huang; Zhang, Wenjing; Zhu, Yihan; Han, Yu; Pu, Jiang; Chang, Jan-Kai; Hsu, Wei-Ting; Huang, Jing-Kai; Hsu, Chang-Lung; Chiu, Ming-Hui; Takenobu, Taishi; Li, Henan; Wu, Chih-I; Chang, Wen-Hao; Wee, Andrew Thye Shen; Li, Lain-Jong

    2014-01-01

    that the MoSe2 monolayer shows a much weaker bound exciton peak; hence, the phototransistor based on MoSe2 presents a much faster response time (<25 ms) than the corresponding 30 s for the CVD MoS2 monolayer at room temperature in ambient conditions

  17. Growth, structure and stability of sputter-deposited MoS2 thin films

    Directory of Open Access Journals (Sweden)

    Reinhard Kaindl

    2017-05-01

    Full Text Available Molybdenum disulphide (MoS2 thin films have received increasing interest as device-active layers in low-dimensional electronics and also as novel catalysts in electrochemical processes such as the hydrogen evolution reaction (HER in electrochemical water splitting. For both types of applications, industrially scalable fabrication methods with good control over the MoS2 film properties are crucial. Here, we investigate scalable physical vapour deposition (PVD of MoS2 films by magnetron sputtering. MoS2 films with thicknesses from ≈10 to ≈1000 nm were deposited on SiO2/Si and reticulated vitreous carbon (RVC substrates. Samples deposited at room temperature (RT and at 400 °C were compared. The deposited MoS2 was characterized by macro- and microscopic X-ray, electron beam and light scattering, scanning and spectroscopic methods as well as electrical device characterization. We find that room-temperature-deposited MoS2 films are amorphous, of smooth surface morphology and easily degraded upon moderate laser-induced annealing in ambient conditions. In contrast, films deposited at 400 °C are nano-crystalline, show a nano-grained surface morphology and are comparatively stable against laser-induced degradation. Interestingly, results from electrical transport measurements indicate an unexpected metallic-like conduction character of the studied PVD MoS2 films, independent of deposition temperature. Possible reasons for these unusual electrical properties of our PVD MoS2 thin films are discussed. A potential application for such conductive nanostructured MoS2 films could be as catalytically active electrodes in (photo-electrocatalysis and initial electrochemical measurements suggest directions for future work on our PVD MoS2 films.

  18. Evaluating Mechanical Properties of Few Layers MoS2 Nanosheets-Polymer Composites

    Directory of Open Access Journals (Sweden)

    Muhammad Bilal Khan

    2017-01-01

    Full Text Available The reinforcement effects of liquid exfoliated molybdenum disulphide (MoS2 nanosheets, dispersed in polystyrene (PS matrix, are evaluated here. The range of composites (0~0.002 volume fraction (Vf MoS2-PS is prepared via solution casting. Size selected MoS2 nanosheets (3~4 layers, with a lateral dimension L 0.5~1 µm, have improved Young’s modulus up to 0.8 GPa for 0.0002 Vf MoS2-PS as compared to 0.2 GPa observed for PS only. The ultimate tensile strength (UTS is improved considerably (~×3 with a minute addition of MoS2 nanosheets (0.00002 Vf. The MoS2 nanosheets lateral dimension and number of layers are approximated using atomic force microscopy (AFM. The composites formation is confirmed using X-ray diffraction (XRD and scanning electron microscopy (SEM. Theoretical predicted results (Halpin-Tsai model are well below the experimental findings, especially at lower concentrations. Only at maximum concentrations, the experimental and theoretical results coincide. The high aspect ratio of MoS2 nanosheets, homogeneous dispersion inside polymer, and their probable planar orientation are the possible reasons for the effective stress transfer, resulting in enhanced mechanical characteristics. Moreover, the micro-Vickers hardness (HV of the MoS2-PS is also improved from 19 (PS to 23 (0.002 Vf MoS2-PS as MoS2 nanosheets inclusion may hinder the deformation more effectively.

  19. Out-of-Plane Electromechanical Response of Monolayer Molybdenum Disulfide Measured by Piezoresponse Force Microscopy.

    Science.gov (United States)

    Brennan, Christopher J; Ghosh, Rudresh; Koul, Kalhan; Banerjee, Sanjay K; Lu, Nanshu; Yu, Edward T

    2017-09-13

    Two-dimensional (2D) materials have recently been theoretically predicted and experimentally confirmed to exhibit electromechanical coupling. Specifically, monolayer and few-layer molybdenum disulfide (MoS 2 ) have been measured to be piezoelectric within the plane of their atoms. This work demonstrates and quantifies a nonzero out-of-plane electromechanical response of monolayer MoS 2 and discusses its possible origins. A piezoresponse force microscope was used to measure the out-of-plane deformation of monolayer MoS 2 on Au/Si and Al 2 O 3 /Si substrates. Using a vectorial background subtraction technique, we estimate the effective out-of-plane piezoelectric coefficient, d 33 eff , for monolayer MoS 2 to be 1.03 ± 0.22 pm/V when measured on the Au/Si substrate and 1.35 ± 0.24 pm/V when measured on Al 2 O 3 /Si. This is on the same order as the in-plane coefficient d 11 reported for monolayer MoS 2 . Interpreting the out-of-plane response as a flexoelectric response, the effective flexoelectric coefficient, μ eff * , is estimated to be 0.10 nC/m. Analysis has ruled out the possibility of elastic and electrostatic forces contributing to the measured electromechanical response. X-ray photoelectron spectroscopy detected some contaminants on both MoS 2 and its substrate, but the background subtraction technique is expected to remove major contributions from the unwanted contaminants. These measurements provide evidence that monolayer MoS 2 exhibits an out-of-plane electromechanical response and our analysis offers estimates of the effective piezoelectric and flexoelectric coefficients.

  20. Adsorption of DNA/RNA nucleobases onto single-layer MoS2 and Li-Doped MoS2: A dispersion-corrected DFT study

    Science.gov (United States)

    Sadeghi, Meisam; Jahanshahi, Mohsen; Ghorbanzadeh, Morteza; Najafpour, Ghasem

    2018-03-01

    The kind of sensing platform in nano biosensor plays an important role in nucleic acid sequence detection. It has been demonstrated that graphene does not have an intrinsic band gap; therefore, transition metal dichalcogenides (TMDs) are desirable materials for electronic base detection. In the present work, a comparative study of the adsorption of the DNA/RNA nucleobases [Adenine (A), Cytosine (C) Guanine (G), Thymine (T) and Uracil (U)] onto the single-layer molybdenum disulfide (MoS2) and Li-doped MoS2 (Li-MoS2) as a sensing surfaces was investigated by using Dispersion-corrected Density Functional Theory (D-DFT) calculations and different measure of equilibrium distances, charge transfers and binding energies for the various nucleobases were calculated. The results revealed that the interactions between the nucleobases and the MoS2 can be strongly enhanced by introducing metal atom, due to significant charge transfer from the Li atom to the MoS2 when Lithium is placed on top of the MoS2. Furthermore, the binding energies of the five nucleobases were in the range of -0.734 to -0.816 eV for MoS2 and -1.47 to -1.80 eV for the Li-MoS2. Also, nucleobases were adsorbed onto MoS2 sheets via the van der Waals (vdW) force. This high affinity and the renewable properties of the biosensing platform demonstrated that Li-MoS2 nanosheet is biocompatible and suitable for nucleic acid analysis.

  1. Observing the semiconducting band-gap alignment of MoS2 layers of different atomic thicknesses using a MoS2/SiO2/Si heterojunction tunnel diode

    NARCIS (Netherlands)

    Nishiguchi, K.; Castellanos-Gomez, A.; Yamaguchi, H.; Fujiwara, A.; Van der Zant, H.S.J.; Steele, G.A.

    2015-01-01

    We demonstrate a tunnel diode composed of a vertical MoS2/SiO2/Si heterostructure. A MoS2 flake consisting four areas of different thicknesses functions as a gate terminal of a silicon field-effect transistor. A thin gate oxide allows tunneling current to flow between the n-type MoS2 layers and

  2. Tuning on-off current ratio and field-effect mobility in a MoS(2)-graphene heterostructure via Schottky barrier modulation.

    Science.gov (United States)

    Shih, Chih-Jen; Wang, Qing Hua; Son, Youngwoo; Jin, Zhong; Blankschtein, Daniel; Strano, Michael S

    2014-06-24

    Field-effect transistor (FET) devices composed of a MoS2-graphene heterostructure can combine the advantages of high carrier mobility in graphene with the permanent band gap of MoS2 for digital applications. Herein, we investigate the electron transfer, photoluminescence, and gate-controlled carrier transport in such a heterostructure. We show that the junction is a Schottky barrier, whose height can be artificially controlled by gating or doping graphene. When the applied gate voltage (or the doping level) is zero, the photoexcited electron-hole pairs in monolayer MoS2 can be split by the heterojunction, significantly reducing the photoluminescence. By applying negative gate voltage (or p-doping) in graphene, the interlayer impedance formed between MoS2 and graphene exhibits an 100-fold increase. For the first time, we show that the gate-controlled interlayer Schottky impedance can be utilized to modulate carrier transport in graphene, significantly depleting the hole transport, but preserving the electron transport. Accordingly, we demonstrate a new type of FET device, which enables a controllable transition from NMOS digital to bipolar characteristics. In the NMOS digital regime, we report a very high room temperature on/off current ratio (ION/IOFF ∼ 36) in comparison to graphene-based FET devices without sacrificing the field-effect electron mobilities in graphene. By engineering the source/drain contact area, we further estimate that a higher value of ION/IOFF up to 100 can be obtained in the device architecture considered. The device architecture presented here may enable semiconducting behavior in graphene for digital and analogue electronics.

  3. Ultra-broadband nonlinear saturable absorption of high-yield MoS2 nanosheets

    Science.gov (United States)

    Wei, Rongfei; Zhang, Hang; Hu, Zhongliang; Qiao, Tian; He, Xin; Guo, Qiangbing; Tian, Xiangling; Chen, Zhi; Qiu, Jianrong

    2016-07-01

    High-yield MoS2 nanosheets with strong nonlinear optical (NLO) responses in a broad near-infrared range were synthesized by a facile hydrothermal method. The observation of saturable absorption, which was excited by the light with photon energy smaller than the gap energy of MoS2, can be attributed to the enhancement of the hybridization between the Mo d-orbital and S p-orbital by the oxygen incorporation into MoS2. High-yield MoS2 nanosheets with high modulation depth and large saturable intensity generated a stable, passively Q-switched fiber laser pulse at 1.56 μm. The high output power of 1.08 mW can be attained under a very low pump power of 30.87 mW. Compared to recently reported passively Q-switched fiber lasers utilizing exfoliated MoS2 nanosheets, the efficiency of the laser for our passive Q-switching operation is larger and reaches 3.50%. This research may extend the understanding on the NLO properties of MoS2 and indicate the feasibility of the high-yield MoS2 nanosheets to passively Q-switched fiber laser effectively at low pump strengths.

  4. Enhanced photoresponse characteristics of transistors using CVD-grown MoS2/WS2 heterostructures

    Science.gov (United States)

    Shan, Junjie; Li, Jinhua; Chu, Xueying; Xu, Mingze; Jin, Fangjun; Fang, Xuan; Wei, Zhipeng; Wang, Xiaohua

    2018-06-01

    Semiconductor heterostructures based on transition metal dichalcogenides provide a broad platform to research two-dimensional nanomaterials and design atomically thin devices for fundamental and applied interests. The MoS2/WS2 heterostructure was prepared on SiO2/Si substrate by chemical vapor deposition (CVD) in our research. And the optical properties of the heterostructure was characterized by Raman and photoluminescence (PL) spectroscopy. The similar 2 orders of magnitude decrease of PL intensity in MoS2/WS2 heterostructures was tested, which is attribute to the electrical and optical modulation effects are connected with the interfacial charge transfer between MoS2 and WS2 films. Using MoS2/WS2 heterostructure as channel material of the phototransistor, we demonstrated over 50 folds enhanced photoresponsivity of multilayer MoS2 field-effect transistor. The results indicate that the MoS2/WS2 films can be a promising heterostructure material to enhance the photoresponse characteristics of MoS2-based phototransistors.

  5. MoS2 @HKUST-1 Flower-Like Nanohybrids for Efficient Hydrogen Evolution Reactions.

    Science.gov (United States)

    Wang, Chengli; Su, Yingchun; Zhao, Xiaole; Tong, Shanshan; Han, Xiaojun

    2018-01-24

    A novel MoS 2 -based flower-like nanohybrid for hydrogen evolution was fabricated through coating the Cu-containing metal-organic framework (HKUST-1) onto MoS 2 nanosheets. It is the first time that MoS 2 @HKUST-1 nanohybrids have been reported for the enhanced electrochemical performance of HER. The morphologies and components of the MoS 2 @HKUST-1 flower-like nanohybrids were characterized by scanning electron microscopy, X-ray diffraction analysis and Fourier transform infrared spectroscopy. Compared with pure MoS 2 , the MoS 2 @HKUST-1 hybrids exhibit enhanced performance on hydrogen evolution reaction with an onset potential of -99 mV, a smaller Tafel slope of 69 mV dec -1 , and a Faradaic efficiency of nearly 100 %. The MoS 2 @HKUST-1 flower-like nanohybrids exhibit excellent stability in acidic media. This design opens new possibilities to effectively synthesize non-noble metal catalysts with high performance for the hydrogen evolution reaction (HER). © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Supercapacitive properties of hydrothermally synthesized sphere like MoS2 nanostructures

    International Nuclear Information System (INIS)

    Krishnamoorthy, Karthikeyan; Veerasubramani, Ganesh Kumar; Radhakrishnan, Sivaprakasam; Kim, Sang Jae

    2014-01-01

    Highlights: • MoS 2 nanostructures were synthesized by hydrothermal method. • Randomly stacked MoS 2 was obtained. • FE-SEM studies show the sphere like morphology of MoS 2 . • Specific capacitance of 92.85 F/g was achieved using charge–discharge analysis. • MoS 2 electrode shows capacitance retention of about 93.8% after 1000 cycles. - Abstract: In this communication, we have investigated the supercapacitive behaviour of MoS 2 nanostructures prepared by a facile one-pot hydrothermal approach using ammonium heptamolybdate and thiourea as starting materials. The X-ray diffraction study revealed the formation of randomly stacked layers of MoS 2 . The field-emission scanning electron microscope studies suggested the formation of sphere like MoS 2 nanostructures and a plausible mechanism for the formation of the obtained structure is discussed. The cyclic voltammetry study shows the typical rectangular shaped curves with a specific capacitance of 106 F/g at a scan rate of 5 mV/s. Galvanostatic charge–discharge measurements suggested the maximum specific capacitance of about 92.85 F/g at discharge current density of 0.5 mA/cm 2 . Cyclic stability tests revealed the capacitance retention of about 93.8% after 1000 cycles suggesting a good cyclic capacity of the prepared MoS 2 . The electrochemical impedance spectroscopic results such as Nyquist and Bode phase angle plots suggested that the hydrothermally synthesized MoS 2 nanostructures will be a suitable candidate for electrochemical supercapacitor applications

  7. Investigation of the optical properties of MoS2 thin films using spectroscopic ellipsometry

    International Nuclear Information System (INIS)

    Yim, Chanyoung; O'Brien, Maria; Winters, Sinéad; McEvoy, Niall; Mirza, Inam; Lunney, James G.; Duesberg, Georg S.

    2014-01-01

    Spectroscopic ellipsometry (SE) characterization of layered transition metal dichalcogenide (TMD) thin films grown by vapor phase sulfurization is reported. By developing an optical dispersion model, the extinction coefficient and refractive index, as well as the thickness of molybdenum disulfide (MoS 2 ) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS 2 film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS 2 flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications

  8. Synthesis of coaxial nanotubes of MoS2 and carbon

    International Nuclear Information System (INIS)

    Reza, C.; Perez, M.; Santiago, P.

    2002-01-01

    The di chalcogenides WS 2 and MoS 2 by their tubular properties were combined. It was synthesized coaxial structures of MoS 2 with C with the purpose to studying the possible structural changes of the MoS 2 nano tubes at was submitted to a propylene gas flux as carbon precursor in a thermal treatment. Studies of structural characterization by Transmission Electron Microscopy (Tem) were realized. The theoretical simulation of the structure was realized using an algorithm type multilayer. The possibility of the nano tubes are applied to gas storage as can be the hydrogen arouse interest by the energy production. (Author)

  9. Quantum transport through MoS2 constrictions defined by photodoping

    Science.gov (United States)

    Epping, Alexander; Banszerus, Luca; Güttinger, Johannes; Krückeberg, Luisa; Watanabe, Kenji; Taniguchi, Takashi; Hassler, Fabian; Beschoten, Bernd; Stampfer, Christoph

    2018-05-01

    We present a device scheme to explore mesoscopic transport through molybdenum disulfide (MoS2) constrictions using photodoping. The devices are based on van-der-Waals heterostructures where few-layer MoS2 flakes are partially encapsulated by hexagonal boron nitride (hBN) and covered by a few-layer graphene flake to fabricate electrical contacts. Since the as-fabricated devices are insulating at low temperatures, we use photo-induced remote doping in the hBN substrate to create free charge carriers in the MoS2 layer. On top of the device, we place additional metal structures, which define the shape of the constriction and act as shadow masks during photodoping of the underlying MoS2/hBN heterostructure. Low temperature two- and four-terminal transport measurements show evidence of quantum confinement effects.

  10. Role of interlayer coupling in ultra thin MoS2

    KAUST Repository

    Cheng, Yingchun; Zhu, Zhiyong; Schwingenschlö gl, Udo

    2012-01-01

    The effects of interlayer coupling on the vibrational and electronic properties of ultra thin MoS 2 were studied by ab initio calculations. For smaller slab thickness, the interlayer distance is significantly elongated because of reduced interlayer

  11. Study of solid lubrication with MoS2 coating in the presence of ...

    Indian Academy of Sciences (India)

    Molybdenum disulphide (MoS2) based solid lubricant mixtures con- taining zirconia and ... age during relative movement and to reduce friction and wear. ..... In this hexagonal structure the bonds between the carbon atoms in a layer are strong.

  12. Interlocking Friction Governs the Mechanical Fracture of Bilayer MoS2.

    Science.gov (United States)

    Jung, Gang Seob; Wang, Shanshan; Qin, Zhao; Martin-Martinez, Francisco J; Warner, Jamie H; Buehler, Markus J

    2018-04-24

    A molybdenum disulfide (MoS 2 ) layered system is a two-dimensional (2D) material, which is expected to provide the next generation of electronic devices together with graphene and other 2D materials. Due to its significance for future electronics applications, gaining a deep insight into the fundamental mechanisms upon MoS 2 fracture is crucial to prevent mechanical failure toward reliable applications. Here, we report direct experimental observation and atomic modeling of the complex failure behaviors of bilayer MoS 2 originating from highly variable interlayer frictions, elucidated with in situ transmission electron microscopy and large-scale reactive molecular dynamics simulations. Our results provide a systematic understanding of the effects that different stacking and loading conditions have on the failure mechanisms and crack-tip behaviors in the bilayer MoS 2 systems. Our findings unveil essential properties in fracture of this 2D material and provide mechanistic insight into its mechanical failure.

  13. Two-dimensional Si nanosheets with local hexagonal structure on a MoS(2) surface.

    Science.gov (United States)

    Chiappe, Daniele; Scalise, Emilio; Cinquanta, Eugenio; Grazianetti, Carlo; van den Broek, Bas; Fanciulli, Marco; Houssa, Michel; Molle, Alessandro

    2014-04-02

    The structural and electronic properties of a Si nanosheet (NS) grown onto a MoS2 substrate by means of molecular beam epitaxy are assessed. Epitaxially grown Si is shown to adapt to the trigonal prismatic surface lattice of MoS2 by forming two-dimensional nanodomains. The Si layer structure is distinguished from the underlying MoS2 surface structure. The local electronic properties of the Si nanosheet are dictated by the atomistic arrangement of the layer and unlike the MoS2 hosting substrate they are qualified by a gap-less density of states. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Exfoliated MoS2 nanosheets as efficient catalysts for electrochemical hydrogen evolution

    International Nuclear Information System (INIS)

    Ji, Shanshan; Yang, Zhe; Zhang, Chao; Liu, Zhenyan; Tjiu, Weng Weei; Phang, In Yee; Zhang, Zheng; Pan, Jisheng; Liu, Tianxi

    2013-01-01

    Graphical abstract: An efficient electrocatalyst for hydrogen evolution has been developed based on exfoliation of bulk MoS 2 crystals via a direct dispersion and ultrasonication method. Drop-casting method is used to fabricate the exfoliated MoS 2 nanosheets modified glass carbon electrode (E-MoS 2 /GCE) with various loadings. The E-MoS 2 /GCE with electrode loading of 48 μg cm −1 exhibits high catalytic activity for hydrogen evolution with a low overpotential (−0.12 V) and a high current density (1.26 mA cm −2 , at η = 150 mV). -- Highlights: • Two-dimensional MoS 2 nanosheets have been obtained by exfoliation of bulk MoS 2 crystals. • Exfoliated MoS 2 nanosheets show high electrocatalytic activity for H 2 production. • This study provides a new approach for renewable and economic H 2 production. -- Abstract: An efficient electrocatalyst for hydrogen evolution has been developed based on liquid exfoliation of bulk MoS 2 via a direct dispersion and ultrasonication method. Transmission electron microscopy and atomic force microscopy measurements show that the exfoliated MoS 2 consists of two-dimensional nanosheets. The exfoliated MoS 2 nanosheets modified glass carbon electrode (E-MoS 2 /GCE) with various loadings is fabricated via a drop-casting method. The electrocatalytic activity of E-MoS 2 /GCE toward hydrogen evolution reaction is examined using linear sweep voltammetry. It is shown that the E-MoS 2 /GCE with an electrode loading of 48 μg cm −2 exhibits a high catalytic activity for hydrogen evolution with a low overpotential (−0.12 V) and a high current density (1.26 mA cm −2 , at η = 150 mV)

  15. Unexpected optical limiting properties from MoS2 nanosheets modified by a semiconductive polymer.

    Science.gov (United States)

    Zhao, Min; Chang, Meng-Jie; Wang, Qiang; Zhu, Zhen-Tong; Zhai, Xin-Ping; Zirak, Mohammad; Moshfegh, Alireza Z; Song, Ying-Lin; Zhang, Hao-Li

    2015-08-07

    Direct solvent exfoliation of bulk MoS2 with the assistance of poly(3-hexylthiophene) (P3HT) produces a novel two-dimensional organic/inorganic semiconductor hetero-junction. The obtained P3HT-MoS2 nanohybrid exhibits unexpected optical limiting properties in contrast to the saturated absorption behavior of both P3HT and MoS2, showing potential in future photoelectric applications.

  16. Improving the Stability of High-Performance Multilayer MoS2 Field-Effect Transistors.

    Science.gov (United States)

    Liu, Na; Baek, Jongyeol; Kim, Seung Min; Hong, Seongin; Hong, Young Ki; Kim, Yang Soo; Kim, Hyun-Suk; Kim, Sunkook; Park, Jozeph

    2017-12-13

    In this study, we propose a method for improving the stability of multilayer MoS 2 field-effect transistors (FETs) by O 2 plasma treatment and Al 2 O 3 passivation while sustaining the high performance of bulk MoS 2 FET. The MoS 2 FETs were exposed to O 2 plasma for 30 s before Al 2 O 3 encapsulation to achieve a relatively small hysteresis and high electrical performance. A MoO x layer formed during the plasma treatment was found between MoS 2 and the top passivation layer. The MoO x interlayer prevents the generation of excess electron carriers in the channel, owing to Al 2 O 3 passivation, thereby minimizing the shift in the threshold voltage (V th ) and increase of the off-current leakage. However, prolonged exposure of the MoS 2 surface to O 2 plasma (90 and 120 s) was found to introduce excess oxygen into the MoO x interlayer, leading to more pronounced hysteresis and a high off-current. The stable MoS 2 FETs were also subjected to gate-bias stress tests under different conditions. The MoS 2 transistors exhibited negligible decline in performance under positive bias stress, positive bias illumination stress, and negative bias stress, but large negative shifts in V th were observed under negative bias illumination stress, which is attributed to the presence of sulfur vacancies. This simple approach can be applied to other transition metal dichalcogenide materials to understand their FET properties and reliability, and the resulting high-performance hysteresis-free MoS 2 transistors are expected to open up new opportunities for the development of sophisticated electronic applications.

  17. Charge-Transfer-Induced p-Type Channel in MoS2 Flake Field Effect Transistors.

    Science.gov (United States)

    Min, Sung-Wook; Yoon, Minho; Yang, Sung Jin; Ko, Kyeong Rok; Im, Seongil

    2018-01-31

    The two-dimensional transition-metal dichalcogenide semiconductor MoS 2 has received extensive attention for decades because of its outstanding electrical and mechanical properties for next-generation devices. One weakness of MoS 2 , however, is that it shows only n-type conduction, revealing its limitations for homogeneous PN diodes and complementary inverters. Here, we introduce a charge-transfer method to modify the conduction property of MoS 2 from n- to p-type. We initially deposited an n-type InGaZnO (IGZO) film on top of the MoS 2 flake so that electron charges might be transferred from MoS 2 to IGZO during air ambient annealing. As a result, electron charges were depleted in MoS 2 . Such charge depletion lowered the MoS 2 Fermi level, which makes hole conduction favorable in MoS 2 when optimum source/drain electrodes with a high work function are selected. Our IGZO-supported MoS 2 flake field effect transistors (FETs) clearly display channel-type conversion from n- to p-channel in this way. Under short- and long-annealing conditions, n- and p-channel MoS 2 FETs are achieved, respectively, and a low-voltage complementary inverter is demonstrated using both channels in a single MoS 2 flake.

  18. Photoelectrochemical-type sunlight photodetector based on MoS2/graphene heterostructure

    International Nuclear Information System (INIS)

    Huang, Zongyu; Han, Weijia; Chander, D Sathish; Qi, Xiang; Zhang, Han; Tang, Hongli; Ren, Long

    2015-01-01

    We have fabricated a novel sunlight photo-detector based on a MoS 2 /graphene heterostructure. The MoS 2 /graphene heterostructure was prepared by a facile hydrothermal method along with a subsequent annealing process followed by a substrate-induced high selective nucleation and growth mechanism. The microstructures and morphologies of the two-dimensional MoS 2 /graphene heterostructure can be experimentally confirmed by x-ray diffraction (XRD), Raman spectroscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM) and a UV–vis absorption spectrometer. Photoresponse investigations performed by a photoelectrochemical (PEC) measurement system indicate that the synthesized MoS 2 /graphene heterostructure shows superior photoresponse activities under the illumination of sunlight in contrast with bare MoS 2 and graphene. The improved photoresponsivity can be attributed to the enhanced light absorption, strong light–matter interaction and the extremely efficient charge separation of the heterostructure. The structure and performances of the MoS 2 /graphene heterostructure suggest promising applications in the field of photonics and optoelectronics. (paper)

  19. MoS2 solid-lubricating film fabricated by atomic layer deposition on Si substrate

    Science.gov (United States)

    Huang, Yazhou; Liu, Lei; Lv, Jun; Yang, Junjie; Sha, Jingjie; Chen, Yunfei

    2018-04-01

    How to reduce friction for improving efficiency in the usage of energy is a constant challenge. Layered material like MoS2 has long been recognized as an effective surface lubricant. Due to low interfacial shear strengths, MoS2 is endowed with nominal frictional coefficient. In this work, MoS2 solid-lubricating film was directly grown by atomic layer deposition (ALD) on Si substrate using MoCl5 and H2S. Various methods were used to observe the grown MoS2 film. Moreover, nanotribological properties of the film were observed by an atomic force microscope (AFM). Results show that MoS2 film can effectively reduce the friction force by about 30-45% under different loads, indicating the huge application value of the film as a solid lubricant. Besides the interlayer-interfaces-sliding, the smaller capillary is another reason why the grown MoS2 film has smaller friction force than that of Si.

  20. Two-dimensional MoS2: A promising building block for biosensors.

    Science.gov (United States)

    Gan, Xiaorong; Zhao, Huimin; Quan, Xie

    2017-03-15

    Recently, two-dimensional (2D) layered nanomaterials have trigged intensive interest due to the intriguing physicochemical properties that stem from a quantum size effect connected with their ultra-thin structure. In particular, 2D molybdenum disulfide (MoS 2 ), as an emerging class of stable inorganic graphene analogs with intrinsic finite bandgap, would possibly complement or even surpass graphene in electronics and optoelectronics fields. In this review, we first discuss the historical development of ultrathin 2D nanomaterials. Then, we are concerned with 2D MoS 2 including its structure-property relationships, synthesis methods, characterization for the layer thickness, and biosensor applications over the past five years. Thereinto, we are highlighting recent advances in 2D MoS 2 -based biosensors, especially emphasize the preparation of sensing elements, roles of 2D MoS 2 , and assay strategies. Finally, on the basis of the current achievements on 2D MoS 2 and other ultrathin layered nanomaterials, perspectives on the challenges and opportunities for the exploration of 2D MoS 2 -based biosensors are put forward. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Piezoelectric effect in chemical vapour deposition-grown atomic-monolayer triangular molybdenum disulfide piezotronics

    Science.gov (United States)

    Qi, Junjie; Lan, Yann-Wen; Stieg, Adam Z.; Chen, Jyun-Hong; Zhong, Yuan-Liang; Li, Lain-Jong; Chen, Chii-Dong; Zhang, Yue; Wang, Kang L.

    2015-01-01

    High-performance piezoelectricity in monolayer semiconducting transition metal dichalcogenides is highly desirable for the development of nanosensors, piezotronics and photo-piezotransistors. Here we report the experimental study of the theoretically predicted piezoelectric effect in triangle monolayer MoS2 devices under isotropic mechanical deformation. The experimental observation indicates that the conductivity of MoS2 devices can be actively modulated by the piezoelectric charge polarization-induced built-in electric field under strain variation. These polarization charges alter the Schottky barrier height on both contacts, resulting in a barrier height increase with increasing compressive strain and decrease with increasing tensile strain. The underlying mechanism of strain-induced in-plane charge polarization is proposed and discussed using energy band diagrams. In addition, a new type of MoS2 strain/force sensor built using a monolayer MoS2 triangle is also demonstrated. Our results provide evidence for strain-gating monolayer MoS2 piezotronics, a promising avenue for achieving augmented functionalities in next-generation electronic and mechanical–electronic nanodevices. PMID:26109177

  2. Piezoelectric effect in chemical vapour deposition-grown atomic-monolayer triangular molybdenum disulfide piezotronics

    KAUST Repository

    Qi, Junjie

    2015-06-25

    High-performance piezoelectricity in monolayer semiconducting transition metal dichalcogenides is highly desirable for the development of nanosensors, piezotronics and photo-piezotransistors. Here we report the experimental study of the theoretically predicted piezoelectric effect in triangle monolayer MoS2 devices under isotropic mechanical deformation. The experimental observation indicates that the conductivity of MoS2 devices can be actively modulated by the piezoelectric charge polarization-induced built-in electric field under strain variation. These polarization charges alter the Schottky barrier height on both contacts, resulting in a barrier height increase with increasing compressive strain and decrease with increasing tensile strain. The underlying mechanism of strain-induced in-plane charge polarization is proposed and discussed using energy band diagrams. In addition, a new type of MoS2 strain/force sensor built using a monolayer MoS2 triangle is also demonstrated. Our results provide evidence for strain-gating monolayer MoS2 piezotronics, a promising avenue for achieving augmented functionalities in next-generation electronic and mechanical–electronic nanodevices.

  3. First-principles analysis of MoS2/Ti2C and MoS2/Ti2CY2 (Y=F and OH) all-2D semiconductor/metal contacts

    KAUST Repository

    Gan, Liyong

    2013-06-13

    First-principles calculations are used to explore the geometry, bonding, and electronic properties of MoS2/Ti2C and MoS2/Ti2CY2 (Y = F and OH) semiconductor/metal contacts. The structure of the interfaces is determined. Strong chemical bonds formed at the MoS2/Ti2C interface result in additional states next to the Fermi level, which extend over the three atomic layers of MoS2 and induce a metallic character. The interaction in MoS2/Ti2CY2, on the other hand, is weak and not sensitive to the specific geometry, and the semiconducting nature thus is preserved. The energy level alignment implies weak and strong n-type doping of MoS2 in MoS2/Ti2CF2 and MoS2/Ti2C(OH)2, respectively. The corresponding n-type Schottky barrier heights are 0.85 and 0.26 eV. We show that the MoS2/Ti2CF2 interface is close to the Schottky limit. At the MoS2/Ti2C(OH)2 interface, we find that a strong dipole due to charge rearrangement induces the Schottky barrier. The present interfaces are well suited for application in all-two-dimensional devices.

  4. First-principles analysis of MoS2/Ti2C and MoS2/Ti2CY2 (Y=F and OH) all-2D semiconductor/metal contacts

    KAUST Repository

    Gan, Liyong; Huang, Dan; Schwingenschlö gl, Udo; Zhao, Yu-Jun

    2013-01-01

    First-principles calculations are used to explore the geometry, bonding, and electronic properties of MoS2/Ti2C and MoS2/Ti2CY2 (Y = F and OH) semiconductor/metal contacts. The structure of the interfaces is determined. Strong chemical bonds formed at the MoS2/Ti2C interface result in additional states next to the Fermi level, which extend over the three atomic layers of MoS2 and induce a metallic character. The interaction in MoS2/Ti2CY2, on the other hand, is weak and not sensitive to the specific geometry, and the semiconducting nature thus is preserved. The energy level alignment implies weak and strong n-type doping of MoS2 in MoS2/Ti2CF2 and MoS2/Ti2C(OH)2, respectively. The corresponding n-type Schottky barrier heights are 0.85 and 0.26 eV. We show that the MoS2/Ti2CF2 interface is close to the Schottky limit. At the MoS2/Ti2C(OH)2 interface, we find that a strong dipole due to charge rearrangement induces the Schottky barrier. The present interfaces are well suited for application in all-two-dimensional devices.

  5. Three-Dimensional Tubular MoS2/PANI Hybrid Electrode for High Rate Performance Supercapacitor.

    Science.gov (United States)

    Ren, Lijun; Zhang, Gaini; Yan, Zhe; Kang, Liping; Xu, Hua; Shi, Feng; Lei, Zhibin; Liu, Zong-Huai

    2015-12-30

    By using three-dimensional (3D) tubular molybdenum disulfide (MoS2) as both an active material in electrochemical reaction and a framework to provide more paths for insertion and extraction of ions, PANI nanowire arrays with a diameter of 10-20 nm can be controllably grown on both the external and internal surface of 3D tubular MoS2 by in situ oxidative polymerization of aniline monomers and 3D tubular MoS2/PANI hybrid materials with different amounts of PANI are prepared. A controllable growth of PANI nanowire arrays on the tubular MoS2 surface provides an opportunity to optimize the capacitive performance of the obtained electrodes. When the loading amount of PANI is 60%, the obtained MoS2/PANI-60 hybrid electrode not only shows a high specific capacitance of 552 F/g at a current density of 0.5 A/g, but also gives excellent rate capability of 82% from 0.5 to 30 A/g. The remarkable rate performance can be mainly attributed to the architecture with synergistic effect between 3D tubular MoS2 and PANI nanowire arrays. Moreover, the MoS2/PANI-60 based symmetric supercapacitor also exhibits the excellent rate performance and good cycling stability. The specific capacitance based on the total mass of the two electrodes is 124 F/g at a current density of 1 A/g and 79% of its initial capacitance is remained after 6000 cycles. The 3D tubular structure provides a good and favorable method for improving the capacitance retention of PANI electrode.

  6. Effect of MoS2 on hydrogenation storage properties of LiBH4

    International Nuclear Information System (INIS)

    Liang, Dan; Han, Shumin; Wang, Jiasheng; Zhang, Wei; Zhao, Xin; Zhao, Ziyang

    2014-01-01

    The hydrogen storage properties of LiBH 4 ball milled with 20 wt% MoS 2 have been investigated. It shows that the LiBH 4 doped with MoS 2 exhibits favorable hydrogenation and dehydrogenation properties in terms of decomposition temperature and hydriding/dehydriding reversibility. The sample with MoS 2 starts to release hydrogen at 230 °C and has a decrease of 80 °C in contrast with pristine LiBH 4 . Furthermore, for the second cycle, the LiBH 4 with MoS 2 maintains a reversible hydrogen storage capacity of about 8.0 wt% which is almost identical with the first cycle under 5 MPa at 550 °C. Analyzed by the XRD and the FTIR results, LiBH 4 can be regenerated after re-hydrogenation under a relatively mild condition by adding MoS 2 . The improvement of the hydrogenation and dehydrogenation properties mainly results from the formation of Li 2 S and MoB 2 during ball milling. -- Graphical abstract: Hydrogen absorption curves of LiBH 4 doped with MoS 2 for five cycles at 400 °C. Highlights: • The hydrogen absorption capacity is nearly the same for 5 cycles at 400 °C. • The sample with MoS 2 starts to release hydrogen at 230 °C. • The coexistence of MoB 2 and Li 2 S catalyzes the decomposition of LiBH 4

  7. The synthesis of hierarchical nanostructured MoS_2/Graphene composites with enhanced visible-light photo-degradation property

    International Nuclear Information System (INIS)

    Zhao, Yongjie; Zhang, Xiaowei; Wang, Chengzhi; Zhao, Yuzhen; Zhou, Heping; Li, Jingbo; Jin, HaiBo

    2017-01-01

    Graphical abstract: Introducing graphene layer into MoS_2 could construct the steady hierarchical structure which could efficiently separate the photo-induced electrons so as to enhance the photo- degradation behavior. - Highlights: • The MoS_2 and MoS_2/Graphene nanocomposite have been synthesized via a solvothermal process. • The scrolled nanosheets of MoS_2 combining with interconnected graphene network promoted the formation of steady hierarchical architecture. • Comparing with MoS_2, the hierarchical MoS_2/Graphene nanocomposite achieved relatively higher degradation rate. • The synergistic effect mechanism for excellent photo-degradation activity was proposed. - Abstract: Novel two-dimensional materials with a layered structure are of special interest for a variety of promising applications. Herein, MoS_2 and MoS_2/Graphene nanocomposite with hierarchical nanostructure were successfully synthesized employing a one-step hydrothermal method. Photo-degradation of methylene blue (MB) and rhodamine (RHB) were adopted to assess the photo-degradation ability of the products. Comparing with bare MoS_2, the hierarchical MoS_2/Graphene nanocomposite achieved relatively higher degradation rate of 99% in 28 min for MB as well in 50 min for RHB. These results verified that this proposed hierarchical nanocomposite is a good photo-degradation semiconductor. The excellent performance was mainly ascribed to the synergistic effect of MoS_2 and graphene layers. The MoS_2 possessing a band gap of 1.9 eV would provide abundant electron-hole pairs. The graphene layers with excellent electro-conductivity could realize the quick transport of electrons via its extended π-conjugation structure, consequently benefiting the separation of photo-generated carriers. These findings indicate that the graphene layer is a promising candidate as a co-catalyst for MoS_2 photo-catalyst, and also provide useful information for understanding the observed enhanced photocatalytic mechanism in experiments.

  8. Scalable Patterning of MoS2 Nanoribbons by Micromolding in Capillaries.

    Science.gov (United States)

    Hung, Yu-Han; Lu, Ang-Yu; Chang, Yung-Huang; Huang, Jing-Kai; Chang, Jeng-Kuei; Li, Lain-Jong; Su, Ching-Yuan

    2016-08-17

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 10(8) were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm(2) and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials.

  9. Scalable Patterning of MoS2Nanoribbons by Micromolding in Capillaries

    KAUST Repository

    Hung, Yu-Han

    2016-07-27

    In this study, we report a facile approach to prepare dense arrays of MoS2 nanoribbons by combining procedures of micromolding in capillaries (MIMIC) and thermolysis of thiosalts ((NH4)2MoS4) as the printing ink. The obtained MoS2 nanoribbons had a thickness reaching as low as 3.9 nm, a width ranging from 157 to 465 nm, and a length up to 2 cm. MoS2 nanoribbons with an extremely high aspect ratio (length/width) of ∼7.4 × 108 were achieved. The MoS2 pattern can be printed on versatile substrates, such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results in high-quality conductive samples, and field-effect transistors based on the patterned MoS2 nanoribbons were demonstrated and characterized, where the carrier mobility was comparable to that of thin-film MoS2. In contrast, the low-temperature-treated samples (170 °C) result in a unique nanocrystalline MoSx structure (x ≈ 2.5), where the abundant and exposed edge sites were obtained from highly dense arrays of nanoribbon structures by this MIMIC patterning method. The patterned MoSx was revealed to have superior electrocatalytic efficiency (an overpotential of ∼211 mV at 10 mA/cm2 and a Tafel slope of 43 mV/dec) in the hydrogen evolution reaction (HER) when compared to the thin-film MoS2. The report introduces a new concept for rapidly fabricating cost-effective and high-density MoS2/MoSx nanostructures on versatile substrates, which may pave the way for potential applications in nanoelectronics/optoelectronics and frontier energy materials. © 2016 American Chemical Society.

  10. Recent advances in MoS2 nanostructured materials for energy and environmental applications - A review

    Science.gov (United States)

    Theerthagiri, J.; Senthil, R. A.; Senthilkumar, B.; Reddy Polu, Anji; Madhavan, J.; Ashokkumar, Muthupandian

    2017-08-01

    Molybdenum disulfide (MoS2), a layered transition metal dichalcogenide with an analogous structure to graphene, has attracted enormous attention worldwide owing to its use in a variety of applications such as energy storage, energy conversion, environmental remediation and sensors. MoS2 and graphene have almost similar functional properties such as high charge carrier transport, high wear resistance and good mechanical strength and friction. However, MoS2 is advantageous over graphene due to its low-cost, abundancy, tailorable morphologies and tuneable band gap with good visible light absorption properties. In this review, we have focussed mainly on recent advances in MoS2 nanostructured materials for the applications in the broad area of energy and environment. Special attention has been paid to their applications in dye-sensitized solar cells, supercapacitor, Li-ion battery, hydrogen evolution reaction, photocatalysis for the degradation of organic pollutants, chemical/bio sensors and gas sensors. Finally, the challenges to design MoS2 nanostructures suitable for energy and environmental applications are also highlighted.

  11. MoS2-InGaZnO Heterojunction Phototransistors with Broad Spectral Responsivity.

    Science.gov (United States)

    Yang, Jaehyun; Kwak, Hyena; Lee, Youngbin; Kang, Yu-Seon; Cho, Mann-Ho; Cho, Jeong Ho; Kim, Yong-Hoon; Jeong, Seong-Jun; Park, Seongjun; Lee, Hoo-Jeong; Kim, Hyoungsub

    2016-04-06

    We introduce an amorphous indium-gallium-zinc-oxide (a-IGZO) heterostructure phototransistor consisting of solution-based synthetic molybdenum disulfide (few-layered MoS2, with a band gap of ∼1.7 eV) and sputter-deposited a-IGZO (with a band gap of ∼3.0 eV) films as a novel sensing element with a broad spectral responsivity. The MoS2 and a-IGZO films serve as a visible light-absorbing layer and a high mobility channel layer, respectively. Spectroscopic measurements reveal that appropriate band alignment at the heterojunction provides effective transfer of the visible light-induced electrons generated in the few-layered MoS2 film to the underlying a-IGZO channel layer with a high carrier mobility. The photoresponse characteristics of the a-IGZO transistor are extended to cover most of the visible range by forming a heterojunction phototransistor that harnesses a visible light responding MoS2 film with a small band gap prepared through a large-area synthetic route. The MoS2-IGZO heterojunction phototransistors exhibit a photoresponsivity of approximately 1.7 A/W at a wavelength of 520 nm (an optical power of 1 μW) with excellent time-dependent photoresponse dynamics.

  12. Friction and wear mechanisms in MoS2/Sb2O3/Au nanocomposite coatings

    International Nuclear Information System (INIS)

    Scharf, T.W.; Kotula, P.G.; Prasad, S.V.

    2010-01-01

    Fundamental phenomena governing the tribological mechanisms in sputter deposited amorphous MoS 2 /Sb 2 O 3 /Au nanocomposite coatings are reported. In dry environments the nanocomposite has the same low friction coefficient as pure MoS 2 (∼0.007). However, unlike pure MoS 2 coatings, which wear through in air (50% relative humidity), the composite coatings showed minimal wear, with wear factors of ∼1.2-1.4 x 10 -7 mm 3 Nm -1 in both dry nitrogen and air. The coatings exhibited non-Amontonian friction behavior, with the friction coefficient decreasing with increasing Hertzian contact stress. Cross-sectional transmission electron microscopy of wear surfaces revealed that frictional contact resulted in an amorphous to crystalline transformation in MoS 2 with 2H-basal (0 0 0 2) planes aligned parallel to the direction of sliding. In air the wear surface and subsurface regions exhibited islands of Au. The mating transfer films were also comprised of (0 0 0 2)-oriented basal planes of MoS 2 , resulting in predominantly self-mated 'basal on basal' interfacial sliding and, thus, low friction and wear.

  13. Oxidation of MoS2 by thermal and hyperthermal atomic oxygen

    International Nuclear Information System (INIS)

    Cross, J.B.; Martin, J.A.; Pope, L.E.; Koontz, S.L.

    1989-01-01

    The present study shows that, at 1.5 eV O-atom translational energy, SO 2 is generated and outgases from an anhydrous MoS 2 surface with a reactivity nearly that of kapton. The reaction of atomic oxygen with MoS 2 has little or no translational energy barrier; i.e., thermally generated atomic oxygen reacts as readily as that having 1.5 eV of translational energy. It is also shown that water present in the flowing afterglow apparatus used to study thermal O-atom reactivity formed sulfates on the MoS 2 surface and that the sulfate is most likely in the form of sulfuric acid. These results imply that water dumps or outgasing in low earth orbit have the potential of forming sulfuric acid covered surfaces on MoS 2 lubricants. Friction measurements show a high initial friction coefficient (0.2) for O-atom exposed MoS 2 surfaces which drops to the normal low value (0.05) after several cycles of operation

  14. Effect of interfaces on electron transport properties of MoS2-Au Contacts

    Science.gov (United States)

    Aminpour, Maral; Hapala, Prokop; Le, Duy; Jelinek, Pavel; Rahman, Talat S.; Rahman's Group Collaboration; Nanosurf Lab Collaboration

    2014-03-01

    Single layer MoS2 is a promising material for future electronic devices such as transistors since it has good transport characteristics with mobility greater than 200 cm-1V-1s-1 and on-off current ratios up to 108. However, before MoS2 can become a mainstream electronic material for the semiconductor industry, the design of low resistive metal-semiconductor junctions as contacts of the electronic devices needs to be addressed and studied systematically. We have examined the effect of Au contacts on the electronic transport properties of single layer MoS2 using density functional theory in combination with the non-equilibrium Green's function method. The Schottky barrier between Au contact and MoS2, transmission spectra, and I-V curves will be reported and discussed as a function of MoS2 and Au interfaces of varying geometry. This work is supported in part by the US Department of Energy under grant DE-FG02-07ER15842.

  15. Doping of two-dimensional MoS2 by high energy ion implantation

    Science.gov (United States)

    Xu, Kang; Zhao, Yuda; Lin, Ziyuan; Long, Yan; Wang, Yi; Chan, Mansun; Chai, Yang

    2017-12-01

    Two-dimensional (2D) materials have been demonstrated to be promising candidates for next generation electronic circuits. Analogues to conventional Si-based semiconductors, p- and n-doping of 2D materials are essential for building complementary circuits. Controllable and effective doping strategies require large tunability of the doping level and negligible structural damage to ultrathin 2D materials. In this work, we demonstrate a doping method utilizing a conventional high-energy ion-implantation machine. Before the implantation, a Polymethylmethacrylate (PMMA) protective layer is used to decelerate the dopant ions and minimize the structural damage to MoS2, thus aggregating the dopants inside MoS2 flakes. By optimizing the implantation energy and fluence, phosphorus dopants are incorporated into MoS2 flakes. Our Raman and high-resolution transmission electron microscopy (HRTEM) results show that only negligibly structural damage is introduced to the MoS2 lattice during the implantation. P-doping effect by the incorporation of p+ is demonstrated by Photoluminescence (PL) and electrical characterizations. Thin PMMA protection layer leads to large kinetic damage but also a more significant doping effect. Also, MoS2 with large thickness shows less kinetic damage. This doping method makes use of existing infrastructures in the semiconductor industry and can be extended to other 2D materials and dopant species as well.

  16. Enhanced Gas Separation through Nanoconfined Ionic Liquid in Laminated MoS2 Membrane.

    Science.gov (United States)

    Chen, Danke; Ying, Wen; Guo, Yi; Ying, Yulong; Peng, Xinsheng

    2017-12-20

    Two-dimensional (2D) materials-based membranes show great potential for gas separation. Herein an ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate ([BMIM][BF 4 ]), was confined in the 2D channels of MoS 2 -laminated membranes via an infiltration process. Compared with the corresponding bulk [BMIM][BF 4 ], nanoconfined [BMIM][BF 4 ] shows an obvious incremental increase in freezing point and a shift of vibration bands. The resulting MoS 2 -supported ionic liquid membrane (MoS 2 SILM) exhibits excellent CO 2 separation performance with high CO 2 permeance (47.88 GPU) and superb selectivity for CO 2 /N 2 (131.42), CO 2 /CH 4 (43.52), and CO 2 /H 2 (14.95), which is much better than that of neat [BMIM][BF 4 ] and [BMIM][BF 4 ]-based membranes. The outstanding performance of MoS 2 SILMs is attributed to the nanoconfined [BMIM][BF 4 ], which enables fast transport of CO 2 . Long-term operation also reveals the durability and stability of the prepared MoS 2 SILMs. The method of confining ILs in the 2D nanochannels of 2D materials may pave a new way for CO 2 capture and separation.

  17. Chemisorption-induced n-doping of MoS2 by oxygen

    International Nuclear Information System (INIS)

    Qi, Long; Wang, Ying; Wu, Yihong; Shen, Lei

    2016-01-01

    Both chemisorption and physisorption affect the electronic properties of two-dimensional materials, such as MoS 2 , but it remains a challenge to probe their respective roles experimentally. Through repeated in-situ electrical measurements of few-layer MoS 2 field-effect transistors in an ultrahigh vacuum system with well-controlled oxygen partial pressure (6 × 10 −8 mbar–3 × 10 −7 mbar), we were able to study the effect of chemisorption on surface defects separately from physically adsorbed oxygen molecules. It is found that chemisorption of oxygen results in n-doping in the channel but negligible effect on mobility and on/off ratio of the MoS 2 transistors. These results are in disagreement with the previous reports on p-doping and degradation of the device's performance when both chemisorption and physisorption are present. Through the analysis of adsorption-desorption kinetics and the first-principles calculations of electronic properties, we show that the experimentally observed n-doping effect originates from dissociative adsorption of oxygen at the surface defects of MoS 2 , which lowers the conduction band edge locally and makes the MoS 2 channel more n-type-like as compared to the as-fabricated devices

  18. Preparation of nanostructured and nanosheets of MoS2 oxide using oxidation method.

    Science.gov (United States)

    Amini, Majed; Ramazani S A, Ahmad; Faghihi, Morteza; Fattahpour, Seyyedfaridoddin

    2017-11-01

    Molybdenum disulfide (MoS 2 ), a two-dimensional transition metal has a 2D layered structure and has recently attracted attention due to its novel catalytic properties. In this study, MoS 2 has been successfully intercalated using chemical and physical intercalation techniques, while enhancing its surface properties. The final intercalated MoS 2 is of many interests because of its low-dimensional and potential properties in in-situ catalysis. In this research, we report different methods to intercalate the layers of MoS 2 successfully using acid-treatment, ultrasonication, oxidation and thermal shocking. The other goal of this study is to form SO bonds mainly because of expected enhanced in-situ catalytic operations. The intercalated MoS 2 is further characterized using analyses such as Fourier Transform Infrared Spectroscopy (FTIR), Raman, Contact Angle, X-ray diffraction (XRD), Field Emission Scanning Electron Microscope (FESEM), Energy Dispersive X-Ray Microanalysis (EDAX), Transmission electron microscopy (TEM), and BET. Copyright © 2017. Published by Elsevier B.V.

  19. Photoresponse properties of large area MoS2 metal–semiconductor–metal photodetectors

    Science.gov (United States)

    Ko, Tsung-Shine; Huang, Yu-Jen; Lin, Der-Yuh; Lin, Chia-Feng; Hong, Bo-Syun; Chen, Hone-Zern

    2018-04-01

    In this study, a large-area molybdenum disulfide (MoS2) thin film was obtained by low pressure thermal sulfurization. Raman scattering spectrum shows that the peaks at 374 and 403 cm‑1 are from the MoS2 thin film. XRD result reveals peaks at 33 and 58.5° indicating MoS2(100) and (110) crystal planes. By using gold (Au), silver (Ag), and aluminum (Al) as contact materials on the MoS2 thin film, photoresponsivity results indicate that Ag is a suitable material for obtaining a high responsivity for a high-performance photodetector (PD). Photocurrent mapping measurements also reveal that Ag contacts have the best carrier transport characteristic with carrier diffusion length of 101 µm among these contacts. Furthermore, we investigated metal–semiconductor–metal MoS2 thin film PDs with interdigitated fingers of 300, 400, 500, and 600 µm contact widths, which showed that the large contact widths could produce a high photoresponse for PD application owing to low resistance.

  20. Preparation and tribological properties of MoS2/graphene oxide composites

    Science.gov (United States)

    Song, Haojie; Wang, Biao; Zhou, Qiang; Xiao, Jiaxuan; Jia, Xiaohua

    2017-10-01

    A hydrothermal route is developed for the synthesis of MoS2/graphene oxide (GO) composites based on the hydrothermal reduction of Na2MoO4 and GO sheets with L-cysteine. The MoS2/GO composites in improving friction and wear of the sunshine oil on sliding steel surfaces under low or high applied load were demonstrated. In tests with sliding steel surfaces, the sunshine oil that contains small amounts of MoS2/GO composites exhibited the lowest specific friction coefficient and wear rate under all of the sliding conditions. Scanning electron microscopy and energy dispersive spectrometer performed to analyze the wear scar surfaces after friction confirmed that the outstanding lubrication performance of MoS2/GO composites could be attributed to their good dispersion stability and extremely thin laminated structure, which allow the MoS2/GO composites to easily enter the contact area, thereby preventing the rough surfaces from coming into direct contact.

  1. Attapulgite-CeO2/MoS2 ternary nanocomposite for photocatalytic oxidative desulfurization

    Science.gov (United States)

    Li, Xiazhang; Zhang, Zuosong; Yao, Chao; Lu, Xiaowang; Zhao, Xiaobing; Ni, Chaoying

    2016-02-01

    Novel attapulgite(ATP)-CeO2/MoS2 ternary nanocomposites were synthesized by microwave assisted assembly method. The structures of the nanocomposites were characterized by XRD, FT-IR, UV-vis, XPS and in situ TEM. The photocatalytic activities of ATP-CeO2/MoS2 composites were investigated by degradating dibenzothiophene (DBT) in gasoline under visible light irradiation. The effect of the mass ratio of CeO2 to MoS2 on photocatalytic activity was investigated. The results indicate that the three-dimensional network structure is firmly constructed by ATP skeleton, CeO2 particles and MoS2 nanosheet which effectively increase the surface area of the composites and promote the separation of electrons and holes by resulting electronic transmission channels of multi-channel in space. The degradation rate of DBT can reach 95% under 3 h irradiation when the mass ratio of CeO2/MoS2 is 4/10. A plausible mechanism for the photocatalytic oxidative desulfurization of this nanocomposite is put forward.

  2. Negative Differential Transconductance in a MoS2 /WSe2 Heterojunction Field Effect Transistor

    Science.gov (United States)

    Zubair, Ahmad; Nourbakhsh, Amirhasan; Dresselhaus, Mildred; de Gendt, Stefan; Palacios, Tomas

    2015-03-01

    In this work, we demonstrate the negative transconductance in heterojunction transistors made of two-dimensional materials for the first time. Negative transconductance plays a key role in multi-valued logic/memory and frequency multiplication circuits. The simpler fabrication method of stacked van der Waals heterostructures compared to the conventional bulk semiconductors and large area CVD growth of the layered 2D materials systems makes it a prime candidate for scalable novel applications of their heterostructures. Vertically stacked MoS2/WSe2 heterostructures are fabricated by mechanical exfoliation and an in-house dry transfer process. A two-step process of e-beam lithography and metal deposition (Au on MoS2, and Pd on WSe2) were performed to fabricate n-type MoS2 and ambipolar WSe2 FET. The transfer characteristics on the non-overlapping regions shows the expected characteristics of the n-type, MoS2 FET and ambipolar WSe2 FET. At the same time, the transfer characteristics of the overlapping region between MoS2 and WSe2 show negative differential transconductance. With proper scaling and careful optimization this negative differential transconductance will lead to novel applications.

  3. Chemical Doping Effects in Multilayer MoS2 and its Application in Complementary Inverter.

    Science.gov (United States)

    Yoo, Hocheon; Hong, Seongin; On, Sungmin; Ahn, Hyungju; Lee, Han-Koo; Hong, Young Ki; Kim, Sunkook; Kim, Jae-Joon

    2018-06-19

    Multilayer MoS2 has been gaining interests as a new semiconducting material for flexible displays, memory devices, chemical/bio sensors, and photodetectors. However, conventional multilayer MoS2 devices have exhibited limited performances due to the Schottky barrier (SB) and defects. Here, we demonstrate PDPP3T doping effects in multilayer MoS2, which results in improved electrical characteristics (~3.2X mobility compared to the baseline and a high current on/off ratio of 106). Synchrotron-based study using X-ray photoelectron spectroscopy (XPS) and grazing-incidence wide-angle X-ray diffraction (GIWAXD) provides mechanisms that align the edge-on crystallites (97.5 %) of the PDPP3T as well as a larger interaction with MoS2 that leads to dipole and charge transfer effects (at annealing temperature of 300 °C), which support the observed enhancement of the electrical characteristics. Furthermore, we demonstrate a hybrid CMOS inverter using the PDPP3T-doped MoS2 and organic DNTT transistors as n- and p-channels, respectively. The proposed hybrid inverter offers an ultra-high voltage gain of ~205 V/V.

  4. Induction of Chirality in Two-Dimensional Nanomaterials: Chiral 2D MoS2 Nanostructures.

    Science.gov (United States)

    Purcell-Milton, Finn; McKenna, Robert; Brennan, Lorcan J; Cullen, Conor P; Guillemeney, Lilian; Tepliakov, Nikita V; Baimuratov, Anvar S; Rukhlenko, Ivan D; Perova, Tatiana S; Duesberg, Georg S; Baranov, Alexander V; Fedorov, Anatoly V; Gun'ko, Yurii K

    2018-02-27

    Two-dimensional (2D) nanomaterials have been intensively investigated due to their interesting properties and range of potential applications. Although most research has focused on graphene, atomic layered transition metal dichalcogenides (TMDs) and particularly MoS 2 have gathered much deserved attention recently. Here, we report the induction of chirality into 2D chiral nanomaterials by carrying out liquid exfoliation of MoS 2 in the presence of chiral ligands (cysteine and penicillamine) in water. This processing resulted in exfoliated chiral 2D MoS 2 nanosheets showing strong circular dichroism signals, which were far past the onset of the original chiral ligand signals. Using theoretical modeling, we demonstrated that the chiral nature of MoS 2 nanosheets is related to the presence of chiral ligands causing preferential folding of the MoS 2 sheets. There was an excellent match between the theoretically calculated and experimental spectra. We believe that, due to their high aspect ratio planar morphology, chiral 2D nanomaterials could offer great opportunities for the development of chiroptical sensors, materials, and devices for valleytronics and other potential applications. In addition, chirality plays a key role in many chemical and biological systems, with chiral molecules and materials critical for the further development of biopharmaceuticals and fine chemicals, and this research therefore should have a strong impact on relevant areas of science and technology such as nanobiotechnology, nanomedicine, and nanotoxicology.

  5. Biomining of MoS2 with Peptide-based Smart Biomaterials.

    Science.gov (United States)

    Cetinel, Sibel; Shen, Wei-Zheng; Aminpour, Maral; Bhomkar, Prasanna; Wang, Feng; Borujeny, Elham Rafie; Sharma, Kumakshi; Nayebi, Niloofar; Montemagno, Carlo

    2018-02-20

    Biomining of valuable metals using a target specific approach promises increased purification yields and decreased cost. Target specificity can be implemented with proteins/peptides, the biological molecules, responsible from various structural and functional pathways in living organisms by virtue of their specific recognition abilities towards both organic and inorganic materials. Phage display libraries are used to identify peptide biomolecules capable of specifically recognizing and binding organic/inorganic materials of interest with high affinities. Using combinatorial approaches, these molecular recognition elements can be converted into smart hybrid biomaterials and harnessed for biotechnological applications. Herein, we used a commercially available phage-display library to identify peptides with specific binding affinity to molybdenite (MoS 2 ) and used them to decorate magnetic NPs. These peptide-coupled NPs could capture MoS 2 under a variety of environmental conditions. The same batch of NPs could be re-used multiple times to harvest MoS 2 , clearly suggesting that this hybrid material was robust and recyclable. The advantages of this smart hybrid biomaterial with respect to its MoS 2 -binding specificity, robust performance under environmentally challenging conditions and its recyclability suggests its potential application in harvesting MoS 2 from tailing ponds and downstream mining processes.

  6. Photon wavelength dependent valley photocurrent in multilayer MoS2

    Science.gov (United States)

    Guan, Hongming; Tang, Ning; Xu, Xiaolong; Shang, LiangLiang; Huang, Wei; Fu, Lei; Fang, Xianfa; Yu, Jiachen; Zhang, Caifeng; Zhang, Xiaoyue; Dai, Lun; Chen, Yonghai; Ge, Weikun; Shen, Bo

    2017-12-01

    The degree of freedom (DOF) of the K (K') valley in transition-metal dichalcogenides, especially molybdenum disulfide (MoS2), offers an opportunity for next-generation valleytronics devices. In this work, the K (K') valley DOF of multilayer MoS2 is studied by means of the photon wavelength dependent circular photogalvanic effect (CPGE) at room temperature upon a strong external out-of-plane electric field induced by an ionic liquid (IL) gate, which breaks the spatial-inversion symmetry. It is demonstrated that only on resonant excitations in the K (K') valley can the valley-related CPGE signals in multilayer MoS2 with an IL gate be detected, indicating that the valley contrast is indeed regenerated between the K and K' valleys when the electric field is applied. As expected, it can also be seen that the K (K') valley DOF in multilayer MoS2 can be modulated by the external electric field. The observation of photon wavelength dependent valley photocurrent in multilayer MoS2, with the help of better Ohmic contacts, may pave a way for optoelectronic applications of valleytronics in the future.

  7. Probing the biocompatibility of MoS2 nanosheets by cytotoxicity assay and electrical impedance spectroscopy

    Science.gov (United States)

    Shah, Pratikkumar; Narayanan, Tharangattu N.; Li, Chen-Zhong; Alwarappan, Subbiah

    2015-08-01

    Transition metal dichalgogenides such as MoS2 have recently emerged as hot two-dimensional (2D) materials due to their superior electronic and catalytic properties. Recently, we have reported the usefulness of MoS2 nanosheets toward the electrochemical detection of neurotransmitters and glucose (Narayanan et al 2014 Nanotechnology 25 335702). Furthermore, there are reports available in the literature that demonstrate the usefulness of MoS2 nanosheets for biosensing and energy storage applications (Zhu et al 2013 J. Am. Chem. Soc. 135 5998-6001 Pumera and Loo 2014 Trends Anal. Chem. 61 49-53 Lee et al 2014 Sci. Rep. 4 7352; Stephenson et al 2014 Energy Environ. Sci. 7 209-31). Understanding the cytotoxic effect of any material is very important prior to employing them for any in vivo biological applications such as implantable sensors, chips, or carriers for drug delivery and cell imaging purposes. Herein, we report the cytotoxicity of the MoS2 nanosheets based on the cytotoxic assay results and electrical impedance analysis using rat pheochromocytoma cells (PC12) and rat adrenal medulla endothelial cells (RAMEC). Our results indicated that the MoS2 nanosheets synthesized in our work are safe 2D nanosheets for futuristic biomedical applications.

  8. Micro-dressing of a carbon nanotube array with MoS2 gauze

    Science.gov (United States)

    Lim, Sharon Xiaodai; Woo, Kah Whye; Ng, Junju; Lu, Junpeng; Kwang, Siu Yi; Zhang, Zheng; Tok, Eng Soon; Sow, Chorng-Haur

    2015-10-01

    Few-layer MoS2 film has been successfully assembled over an array of CNTs. Using different focused laser beams with different wavelengths, site selective patterning of either the MoS2 film or the supporting CNT array is achieved. This paves the way for applications and investigations into the fundamental properties of the hybrid MoS2/CNT material with a controlled architecture. Through Raman mapping, straining and electron doping of the MoS2 film as a result of interaction with the supporting CNT array are detected. The role of the MoS2 film was further emphasized with a lower work function being detected from Ultra-violet Photoelectron Spectrsocopy (UPS) measurements of the hybrid material, compared to the CNT array. The effect of the changes in the work function was illustrated through the optoelectronic behavior of the hybrid material. At 0 V, 3.49 nA of current is measured upon illuminating the sample with a broad laser beam emitting laser light with a wavelength of 532 nm. With a strong response to external irradiation of different wavelengths, and changes to the power of the excitation source, the hybrid material has shown potential for applications in optoelectronic devices.

  9. A pressure tuned stop-flow atomic layer deposition process for MoS2 on high porous nanostructure and fabrication of TiO2/MoS2 core/shell inverse opal structure

    Science.gov (United States)

    Li, Xianglin; Puttaswamy, Manjunath; Wang, Zhiwei; Kei Tan, Chiew; Grimsdale, Andrew C.; Kherani, Nazir P.; Tok, Alfred Iing Yoong

    2017-11-01

    MoS2 thin films are obtained by atomic layer deposition (ALD) in the temperature range of 120-150 °C using Mo(CO)6 and dimethyl disulfide (DMDS) as precursors. A pressure tuned stop-flow ALD process facilitates the precursor adsorption and enables the deposition of MoS2 on high porous three dimensional (3D) nanostructures. As a demonstration, a TiO2/MoS2 core/shell inverse opal (TiO2/MoS2-IO) structure has been fabricated through ALD of TiO2 and MoS2 on a self-assembled multilayer polystyrene (PS) structure template. Due to the self-limiting surface reaction mechanism of ALD and the utilization of pressure tuned stop-flow ALD processes, the as fabricated TiO2/MoS2-IO structure has a high uniformity, reflected by FESEM and FIB-SEM characterization. A crystallized TiO2/MoS2-IO structure can be obtained through a post annealing process. As a 3D photonic crystal, the TiO2/MoS2-IO exhibits obvious stopband reflecting peaks, which can be adjusted through changing the opal diameters as well as the thickness of MoS2 layer.

  10. Hydrogen-assisted post-growth substitution of tellurium into molybdenum disulfide monolayers with tunable compositions

    Science.gov (United States)

    Yin, Guoli; Zhu, Dancheng; Lv, Danhui; Hashemi, Arsalan; Fei, Zhen; Lin, Fang; Krasheninnikov, Arkady V.; Zhang, Ze; Komsa, Hannu-Pekka; Jin, Chuanhong

    2018-04-01

    Herein we report the successful doping of tellurium (Te) into molybdenum disulfide (MoS2) monolayers to form MoS2x Te2(1-x) alloy with variable compositions via a hydrogen-assisted post-growth chemical vapor deposition process. It is confirmed that H2 plays an indispensable role in the Te substitution into as-grown MoS2 monolayers. Atomic-resolution transmission electron microscopy allows us to determine the lattice sites and the concentration of introduced Te atoms. At a relatively low concentration, tellurium is only substituted in the sulfur sublattice to form monolayer MoS2(1-x)Te2x alloy, while with increasing Te concentration (up to ˜27.6% achieved in this study), local regions with enriched tellurium, large structural distortions, and obvious sulfur deficiency are observed. Statistical analysis of the Te distribution indicates the random substitution. Density functional theory calculations are used to investigate the stability of the alloy structures and their electronic properties. Comparison with experimental results indicate that the samples are unstrained and the Te atoms are predominantly substituted in the top S sublattice. Importantly, such ultimately thin Janus structure of MoS2(1-x)Te2x exhibits properties that are distinct from their constituents. We believe our results will inspire further exploration of the versatile properties of asymmetric 2D TMD alloys.

  11. High-Sensitivity, Highly Transparent, Gel-Gated MoS2 Phototransistor on Biodegradable Nanopaper

    KAUST Repository

    Zhang, Qing

    2016-06-21

    Transition metal dichalcogenides hold great promise for a variety of novel electrical, optical and mechanical devices and applications. Among them, molybdenum disulphide (MoS2) is gaining increasing attention as the gate dielectric and semiconductive channel for high-perfomance field effect transistors. Here we report on the first MoS2 phototransistor built on flexible, transparent and biodegradable substrate with electrolyte gate dielectric. We have carried out systematic studies on its electrical and optoelectronic properties. The MoS2 phototransistor exhibited excellent photo responsivity of ~1.5 kA/W, about two times higher compared to typical back-gated devices reported in previous studies. The device is highly transparent at the same time with an average optical transmittance of 82%. Successful fabrication of phototransistors on flexible cellulose nanopaper with excellent performance and transparency suggests that it is feasible to achieve an ecofriendly, biodegradable phototransistor with great photoresponsivity, broad spectral range and durable flexibility.

  12. Edge structures and properties of triangular antidots in single-layer MoS2

    KAUST Repository

    Gan, Li Yong; Cheng, Yingchun; Schwingenschlö gl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xixiang; Huang, Wei

    2016-01-01

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

  13. Probing the interlayer coupling of twisted bilayer MoS2 using photoluminescence spectroscopy.

    Science.gov (United States)

    Huang, Shengxi; Ling, Xi; Liang, Liangbo; Kong, Jing; Terrones, Humberto; Meunier, Vincent; Dresselhaus, Mildred S

    2014-10-08

    Two-dimensional molybdenum disulfide (MoS2) is a promising material for optoelectronic devices due to its strong photoluminescence emission. In this work, the photoluminescence of twisted bilayer MoS2 is investigated, revealing a tunability of the interlayer coupling of bilayer MoS2. It is found that the photoluminescence intensity ratio of the trion and exciton reaches its maximum value for the twisted angle 0° or 60°, while for the twisted angle 30° or 90° the situation is the opposite. This is mainly attributed to the change of the trion binding energy. The first-principles density functional theory analysis further confirms the change of the interlayer coupling with the twisted angle, which interprets our experimental results.

  14. Edge structures and properties of triangular antidots in single-layer MoS2

    KAUST Repository

    Gan, Li Yong

    2016-08-30

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS2. The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS2 devices. Published by AIP Publishing.

  15. High-Sensitivity, Highly Transparent, Gel-Gated MoS2 Phototransistor on Biodegradable Nanopaper

    KAUST Repository

    Zhang, Qing; Bao, Wenzhong; Gong, Amy; Gong, Tao; Ma, Dakang; Wan, Jiayu; Dai, Jiaqi; Munday, J; He, Jr-Hau; Hu, Liangbing; Zhang, Daihua

    2016-01-01

    Transition metal dichalcogenides hold great promise for a variety of novel electrical, optical and mechanical devices and applications. Among them, molybdenum disulphide (MoS2) is gaining increasing attention as the gate dielectric and semiconductive channel for high-perfomance field effect transistors. Here we report on the first MoS2 phototransistor built on flexible, transparent and biodegradable substrate with electrolyte gate dielectric. We have carried out systematic studies on its electrical and optoelectronic properties. The MoS2 phototransistor exhibited excellent photo responsivity of ~1.5 kA/W, about two times higher compared to typical back-gated devices reported in previous studies. The device is highly transparent at the same time with an average optical transmittance of 82%. Successful fabrication of phototransistors on flexible cellulose nanopaper with excellent performance and transparency suggests that it is feasible to achieve an ecofriendly, biodegradable phototransistor with great photoresponsivity, broad spectral range and durable flexibility.

  16. Metallization and superconductivity in Ca-intercalated bilayer MoS2

    Science.gov (United States)

    Szczȱśniak, R.; Durajski, A. P.; Jarosik, M. W.

    2017-12-01

    A two-dimensional molybdenum disulfide (MoS2) has attracted significant interest recently due to its outstanding physical, chemical and optoelectronic properties. In this paper, using the first-principles calculations, the dynamical stability, electronic structure and superconducting properties of Ca-intercalated bilayer MoS2 are investigated. The calculated electron-phonon coupling constant implies that the stable form of investigated system is a strong-coupling superconductor (λ = 1.05) with a low value of critical temperature (TC = 13.3 K). Moreover, results obtained within the framework of the isotropic Migdal-Eliashberg formalism proved that Ca-intercalated bilayer MoS2 exhibits behavior that goes beyond the scope of the conventional BCS theory.

  17. Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges

    Science.gov (United States)

    Chen, Qiao; Li, L. L.; Peeters, F. M.

    2018-02-01

    Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs.

  18. Methyl Butanoate Adsorption on MoS2 Surface: A Density Functional Theory Investigation

    Directory of Open Access Journals (Sweden)

    Prabowo Wahyu Aji Eko

    2018-01-01

    Full Text Available Methyl butanoate is one of the compound which is obtained from triglyceride molecule. It has hydrocarbon components and hence may produce hydrocarbon through hydrodeoxygenation (HDO or decarbonylation (DCO processes. The first step to uncover the underlying mechanism of HDO or DCO is to find the active site of methyl butanoate adsorption over the catalyst. This study attempts to investigate the active site of methyl butanoate adsorption on MoS2 surface. Stable bonding configuration for methyl butanoate adsorption on MoS2 is investigated by using density functional theory (DFT. This investigation consists of geometry optimisation and adsorption energy calculations. The stable configuration of methyl butanoate adsorption on MoS2 surface is found to be on top of Mo atom in Mo-edge surface.

  19. High performance and transparent multilayer MoS2 transistors: Tuning Schottky barrier characteristics

    Directory of Open Access Journals (Sweden)

    Young Ki Hong

    2016-05-01

    Full Text Available Various strategies and mechanisms have been suggested for investigating a Schottky contact behavior in molybdenum disulfide (MoS2 thin-film transistor (TFT, which are still in much debate and controversy. As one of promising breakthrough for transparent electronics with a high device performance, we have realized MoS2 TFTs with source/drain electrodes consisting of transparent bi-layers of a conducting oxide over a thin film of low work function metal. Intercalation of a low work function metal layer, such as aluminum, between MoS2 and transparent source/drain electrodes makes it possible to optimize the Schottky contact characteristics, resulting in about 24-fold and 3 orders of magnitude enhancement of the field-effect mobility and on-off current ratio, respectively, as well as transmittance of 87.4 % in the visible wavelength range.

  20. Edge structures and properties of triangular antidots in single-layer MoS2

    International Nuclear Information System (INIS)

    Gan, Li-Yong; Cheng, Yingchun; Huang, Wei; Schwingenschlögl, Udo; Yao, Yingbang; Zhao, Yong; Zhang, Xi-xiang

    2016-01-01

    Density functional theory and experiments are employed to shed light on the edge structures of antidots in O etched single-layer MoS 2 . The equilibrium morphology is found to be the zigzag Mo edge with each Mo atom bonded to two O atoms, in a wide range of O chemical potentials. Scanning electron microscopy shows that the orientation of the created triangular antidots is opposite to the triangular shape of the single-layer MoS 2 samples, in agreement with the theoretical predictions. Furthermore, edges induced by O etching turn out to be p-doped, suggesting an effective strategy to realize p-type MoS 2 devices.

  1. Is MoS2 a robust material for 2D electronics?

    International Nuclear Information System (INIS)

    Lorenz, Tommy; Joswig, Jan-Ole; Seifert, Gotthard; Ghorbani-Asl, Mahdi; Heine, Thomas

    2014-01-01

    A nanoindentation computer experiment has been carried out by means of Born–Oppenheimer molecular-dynamics simulations employing the density-functional based tight-binding method. A free-standing MoS 2 sheet, fixed at a circular support, was indented by a stiff, sharp tip. During this process, the strain on the nanolayer is locally different, with maximum values in the vicinity of the tip. All studied electronic properties—the band gap, the projected density of states, the atomic charges and the quantum conductance through the layer—vary only slightly before they change significantly when the MoS 2 sheet finally is pierced. After strong local deformation due to the indentation process, the electronic conductance in our model still is 80% of its original value. Thus, the electronic structure of single-layer MoS 2 is rather robust upon local deformation. (paper)

  2. Synthesis, characterization and photocatalytic performance of chemically exfoliated MoS2

    Science.gov (United States)

    Prabhakar Vattikuti, S. V.; Shim, Jaesool

    2018-03-01

    Two-dimensional (2D) layered structure transition metal dichalcogenides (TMDs) has gained huge attention and importance for photocatalytic energy conversion because of their unique properties. Molybdenum disulfide (MoS2) nanosheets were synthesized via one-pot method and exfoliated in (dimethylformamide) DMF solution. Subsequent exfoliated MoS2 nanosheets (e-MoS2) were used as photocatalysts for degradation of Rhodamine B (RhB) pollutant under solar light irradiation. The e-MoS2 nanosheets exhibited excellent photocatalytic activity than that of pristine MoS2, owing to high specific surface area with enormous active sites and light absorption capacity. In addition, e-MoS2 demonstrated remarkable photocatalytic stability.

  3. Layer-by-Layer Hybrids of MoS2 and Reduced Graphene Oxide for Lithium Ion Batteries

    International Nuclear Information System (INIS)

    Jing, Yu; Ortiz-Quiles, Edwin O.; Cabrera, Carlos R.; Chen, Zhongfang; Zhou, Zhen

    2014-01-01

    Highlights: • Layer-by-layer MoS 2 /rGO hybrids were prepared by rGO involved lithiation-exfoliation method. • This hybrid exhibited enhanced electrochemical performances due to the existence of rGO. • The roles of rGO in different charging/discharging processes were interpreted by computations. - Abstract: Two-dimensional MoS 2 shows great potential for effective Li storage due to its good thermal and chemical stability, high theoretical capacity, and experimental accessibility. However, the poor electrical conductivity and the restacking tendency significantly restrict its applications to lithium ion batteries (LIBs). To overcome these problems, we introduced reduced graphene oxides (rGO) to the intercalation-exfoliation preparation process of few-layered MoS 2 and obtained layer-by-layer MoS 2 /rGO hybrids. With the addition of rGO, the restacking of MoS 2 layers was apparently inhibited, and MoS 2 with 1 ∼ 3 layers was obtained in the composite. Due to the positive role of rGO, MoS 2 /rGO hybrids exhibited highly enhanced cyclic stability and high-rate performances as LIB anodes in comparison with bare MoS 2 layers or bulk MoS 2 . Moreover, the experimental results were well interpreted through density functional theory computations

  4. Rotationally Commensurate Growth of MoS2 on Epitaxial Graphene

    Science.gov (United States)

    2015-11-13

    October 11, 2015 Accepted: November 13, 2015 A rtic le www.acsnano.org © XXXX American Chemical Society A DOI: 10.1021/acsnano.5b06398 ACS Nano XXXX ...interface between EG and MoS2 is highlighted in red. ACS Nano Article DOI: 10.1021/acsnano.5b06398 ACS Nano XXXX , XXX, XXX−XXX B The as-grown MoS2/EG...orientations. ACS Nano Article DOI: 10.1021/acsnano.5b06398 ACS Nano XXXX , XXX, XXX−XXX C nature of EG give rise to the inversion of the relative DOS at

  5. Thiol-modified MoS2 nanosheets as a functional layer for electrical bistable devices

    Science.gov (United States)

    Li, Guan; Tan, Fenxue; Lv, Bokun; Wu, Mengying; Wang, Ruiqi; Lu, Yue; Li, Xu; Li, Zhiqiang; Teng, Feng

    2018-01-01

    Molybdenum disulfide nanosheets have been synthesized by one-pot method using 1-ODT as sulfur source and surfactant. The structure, morphology and optical properties of samples were investigated by XRD, FTIR, Abs spectrum and TEM patterns. The XRD pattern indicated that the as-obtained MoS2 belong to hexagonal system. The as-obtained MoS2 nanosheets blending with PVK could be used to fabricate an electrically bistable devices through a simple spin-coating method and the device exhibited an obvious electrical bistability properties. The charge transport mechanism of the device was discussed based on the filamentary switching models.

  6. Balancing the Hydrogen Evolution Reaction, Surface Energetics, and Stability of Metallic MoS2 Nanosheets via Covalent Functionalization.

    Science.gov (United States)

    Benson, Eric E; Zhang, Hanyu; Schuman, Samuel A; Nanayakkara, Sanjini U; Bronstein, Noah D; Ferrere, Suzanne; Blackburn, Jeffrey L; Miller, Elisa M

    2018-01-10

    We modify the fundamental electronic properties of metallic (1T phase) nanosheets of molybdenum disulfide (MoS 2 ) through covalent chemical functionalization, and thereby directly influence the kinetics of the hydrogen evolution reaction (HER), surface energetics, and stability. Chemically exfoliated, metallic MoS 2 nanosheets are functionalized with organic phenyl rings containing electron donating or withdrawing groups. We find that MoS 2 functionalized with the most electron donating functional group (p-(CH 3 CH 2 ) 2 NPh-MoS 2 ) is the most efficient catalyst for HER in this series, with initial activity that is slightly worse compared to the pristine metallic phase of MoS 2 . The p-(CH 3 CH 2 ) 2 NPh-MoS 2 is more stable than unfunctionalized metallic MoS 2 and outperforms unfunctionalized metallic MoS 2 for continuous H 2 evolution within 10 min under the same conditions. With regards to the entire studied series, the overpotential and Tafel slope for catalytic HER are both directly correlated with the electron donating strength of the functional group. The results are consistent with a mechanism involving ground-state electron donation or withdrawal to/from the MoS 2 nanosheets, which modifies the electron transfer kinetics and catalytic activity of the MoS 2 nanosheet. The functional groups preserve the metallic nature of the MoS 2 nanosheets, inhibiting conversion to the thermodynamically stable semiconducting state (2H) when mildly annealed in a nitrogen atmosphere. We propose that the electron density and, therefore, reactivity of the MoS 2 nanosheets are controlled by the attached functional groups. Functionalizing nanosheets of MoS 2 and other transition metal dichalcogenides provides a synthetic chemical route for controlling the electronic properties and stability within the traditionally thermally unstable metallic state.

  7. Hydrothermal synthesis of layer-controlled MoS_2/graphene composite aerogels for lithium-ion battery anode materials

    International Nuclear Information System (INIS)

    Zhao, Bing; Wang, Zhixuan; Gao, Yang; Chen, Lu; Lu, Mengna; Jiao, Zheng; Jiang, Yong; Ding, Yuanzhang; Cheng, Lingli

    2016-01-01

    Highlights: • Layer-controlled MoS_2/GA composites are synthesized by a facile hydrothermal route. • Few-layer (5–15 layers) MoS_2 nanosheets are decorated on the surface of GNS homogeneously and tightly. • The growth mechanism of the lay-controlled MoS_2/GA composites is proposed. • The composite delivers high specific capacity of 1085.0 mAh g"−"1 at 0.1 A g"−"1. - Abstract: Layer-controlled MoS_2/graphene aerogels (MoS_2/GA) composites are synthesized by a facile hydrothermal route, in which few-layer (5–15 layers) MoS_2 nanosheets with high crystalline are decorated on the surface of graphene nanosheets homogeneously and tightly. The number of the MoS_2 layers can be easily controlled through adjusting the amount of molybdenum source in the reaction system. Moreover, the growth mechanism of the lay-controlled MoS_2/GA composites is proposed. The three-dimensional MoS_2/GA with macroporous micro-structure not only shortens the transportation length of electrons and ions, but also restrains the re-stacking of MoS_2 effectively, stabilizing the electrode structure during repeated charging/discharging processes. Electrochemical tests demonstrate that this few-layer MoS_2/GA composite exhibits a high reversible capacity of 1085.0 mAh g"−"1 at current density of 100 mA g"−"1, as well as extraordinarily high cycling stability and rate capability.

  8. Type-I band alignment at MoS2/In0.15Al0.85N lattice matched heterojunction and realization of MoS2 quantum well

    KAUST Repository

    Tangi, Malleswararao; Mishra, Pawan; Li, Ming-Yang; Shakfa, Mohammad Khaled; Anjum, Dalaver H.; Hedhili, Mohamed N.; Ng, Tien Khee; Li, Lain-Jong; Ooi, Boon S.

    2017-01-01

    matching with that of MoS2. We confirm that the grown MoS2 is a single layer from optical and structural analyses using micro-Raman spectroscopy and scanning transmission electron microscopy. The band offset parameters VBO and CBO at the In0.15Al0.85N/MoS2

  9. Molecular interactions between single layered MoS2 and biological molecules† †Electronic supplementary information (ESI) available: SFG data analysis methods, spectral fitting parameters, additional spectra, CD spectrum, and details about MD simulation methods. See DOI: 10.1039/c7sc04884j

    Science.gov (United States)

    Xiao, Minyu; Wei, Shuai; Li, Yaoxin; Jasensky, Joshua; Chen, Junjie; Brooks, Charles L.

    2017-01-01

    Two-dimensional (2D) materials such as graphene, molybdenum disulfide (MoS2), tungsten diselenide (WSe2), and black phosphorous are being developed for sensing applications with excellent selectivity and high sensitivity. In such applications, 2D materials extensively interact with various analytes including biological molecules. Understanding the interfacial molecular interactions of 2D materials with various targets becomes increasingly important for the progression of better-performing 2D-material based sensors. In this research, molecular interactions between several de novo designed alpha-helical peptides and monolayer MoS2 have been studied. Molecular dynamics simulations were used to validate experimental data. The results suggest that, in contrast to peptide–graphene interactions, peptide aromatic residues do not interact strongly with the MoS2 surface. It is also found that charged amino acids are important for ensuring a standing-up pose for peptides interacting with MoS2. By performing site-specific mutations on the peptide, we could mediate the peptide–MoS2 interactions to control the peptide orientation on MoS2. PMID:29675220

  10. Enhancement of photovoltaic response in multilayer MoS2 induced by plasma doping.

    Science.gov (United States)

    Wi, Sungjin; Kim, Hyunsoo; Chen, Mikai; Nam, Hongsuk; Guo, L Jay; Meyhofer, Edgar; Liang, Xiaogan

    2014-05-27

    Layered transition-metal dichalcogenides hold promise for making ultrathin-film photovoltaic devices with a combination of excellent photovoltaic performance, superior flexibility, long lifetime, and low manufacturing cost. Engineering the proper band structures of such layered materials is essential to realize such potential. Here, we present a plasma-assisted doping approach for significantly improving the photovoltaic response in multilayer MoS2. In this work, we fabricated and characterized photovoltaic devices with a vertically stacked indium tin oxide electrode/multilayer MoS2/metal electrode structure. Utilizing a plasma-induced p-doping approach, we are able to form p-n junctions in MoS2 layers that facilitate the collection of photogenerated carriers, enhance the photovoltages, and decrease reverse dark currents. Using plasma-assisted doping processes, we have demonstrated MoS2-based photovoltaic devices exhibiting very high short-circuit photocurrent density values up to 20.9 mA/cm(2) and reasonably good power-conversion efficiencies up to 2.8% under AM1.5G illumination, as well as high external quantum efficiencies. We believe that this work provides important scientific insights for leveraging the optoelectronic properties of emerging atomically layered two-dimensional materials for photovoltaic and other optoelectronic applications.

  11. Evolution of electronic structure in highly charge doped MoS2 compounds

    Science.gov (United States)

    Bin Subhan, Mohammed; Watson, Matthew; Liu, Zhongkai; Walters, Andrew; Hoesch, Moritz; Howard, Chris; Diamond I05 beamline Collaboration

    Transition-metal dichalcogenides (TMDCs) are a group of layered materials that exhibit a rich array of electronic ground states including semiconductivity, metallicity, superconductivity and charge density waves. In recent years, 2D TMDCs have attracted considerable attention due to their unique properties and potential applications in optoelectronics. It has been shown that the charge carrier density in few layer MoS2 can be tunably increased via electrostatic gating. At high levels of doping, MoS2 exhibits superconductivity with a dome-like dependence of Tc on doping analogous to that found in the cuprate superconductors. High doping can also be achieved via intercalation of alkali metals in bulk MoS2. The origin of this superconductivity is not yet fully understood with predictions ranging from exotic pairing mechanisms in bulk systems to Ising superconductivity in single layers. Despite these interesting properties, there has been limited research to date on the electronic structure of these doped compounds. Here we present our work on alkali metal intercalated MoS2 using the low temperature metal ammonia solution method. Using X-ray diffraction, Raman spectroscopy and ARPES measurements we will discuss the physical and electronic structure of these materials. EPSRC, Diamond Light Source.

  12. One-dimensional metallic edge states in MoS2

    DEFF Research Database (Denmark)

    Bollinger, Mikkel; Lauritsen, J.V.; Jacobsen, Karsten Wedel

    2001-01-01

    By the use of density functional calculations it is shown that the edges of a two-dimensional slab of insulating MoS2 exhibit several metallic states. These edge states can be viewed as one-dimensional conducting wires, and we show that they can be observed directly using scanning tunneling...

  13. Edge termination of MoS2 and CoMoS catalyst particles

    DEFF Research Database (Denmark)

    Byskov, Line Sjolte; Nørskov, Jens Kehlet; Clausen, B. S.

    2000-01-01

    The edge termination of MoS2 and CoMoS catalyst particles is studied by density functional calculations. We show that for structures without vacancies Mo-terminated edges have the lowest edge energies. Creation of vacancies, which are believed to be active sites in these catalyst systems, leads...

  14. MoS2 coated hollow carbon spheres for anodes of lithium ion batteries

    International Nuclear Information System (INIS)

    Zhang, Yufei; Wang, Ye; Shi, Wenhui; Yang, Huiying; Yang, Jun; Huang, Wei; Dong, Xiaochen

    2016-01-01

    With the assistance of resorcinol–formaldehyde, MoS 2 coated hollow carbon spheres (C@MoS 2 ) were synthesized through a facile hydrothermal route followed by heat and alkali treatments. The measurements indicate that the hollow carbon spheres with an average diameter of 300 nm and shell thickness of 20 nm. And the hollow core are uniformly covered by ultrathin MoS 2 nanosheets with a length increased to 400 nm. The unique hollow structure and the synergistic effect between carbon layer and MoS 2 nanosheets significantly enhance the rate capability and electrochemical stability of C@MoS 2 spheres as anode material of lithium-ion battery. The synthesized C@MoS 2 delivered a capacity of 750 mAh g −1 at a current density of 100 mA g −1 . More importantly, the C@MoS 2 maintained a reversible capacity of 533 mAh g −1 even at a high current density of 1000 mA g −1 . The study indicated that MoS 2 coated hollow carbon spheres can be promising anode material for next generation high-performance lithium-ion batteries. (paper)

  15. High performance MoS2 TFT using graphene contact first process

    Directory of Open Access Journals (Sweden)

    Chih-Shiang Chang Chien

    2017-08-01

    Full Text Available An ohmic contact of graphene/MoS2 heterostructure is determined by using ultraviolet photoelectron spectroscopy (UPS. Since graphene shows a great potential to replace metal contact, a direct comparison of Cr/Au contact and graphene contact on the MoS2 thin film transistor (TFT is made. Different from metal contacts, the work function of graphene can be modulated. As a result, the subthreshold swing can be improved. And when Vg

  16. Synthesis of MoS 2 Inorganic Fullerene-like Nanoparticles by a ...

    African Journals Online (AJOL)

    MoS2 nanoparticles with fullerene-like structure (IF-MoS2) were successfully obtained at heating temperature higher than 840 °C by a chemical vapour deposition method usingMoO3 and sulfur powders as raw materials. The synthesized samples were characterized by XRD, SEM, TEM, EDX and Raman spectrometry, ...

  17. Silicene on MoS2: role of the van der Waals interaction

    KAUST Repository

    Zhu, Jiajie; Schwingenschlö gl, Udo

    2015-01-01

    We demonstrate for silicene on MoS2 substrate the limitations of the predictive power of first principles calculations based on van der Waals density functional theory. Only the optB86b-vdW functional is found to give reasonable agreement

  18. Percolation scaling in composites of exfoliated MoS2 filled with nanotubes and graphene

    NARCIS (Netherlands)

    Cunningham, G.; Lotya, M.; McEvoy, N.; Duesberg, G.S.; Schoot, van der P.P.A.M.; Coleman, J.N.

    2012-01-01

    Applications of films of exfoliated layered compounds in many areas will be limited by their relatively low electrical conductivity. To address this, we have prepared and characterised composites of a nano-conductor (nanotubes or graphene) embedded in a matrix of exfoliated MoS2 nanosheets. Solvent

  19. Scalable Patterning of MoS2Nanoribbons by Micromolding in Capillaries

    KAUST Repository

    Hung, Yu-Han; Lu, Ang-Yu; Chang, Yung-Huang; Huang, Jing-Kai; Chang, Jeng-Kuei; Li, Lain-Jong; Su, Ching-Yuan

    2016-01-01

    , such as SiO2/Si, sapphire, Au film, FTO/glass, and graphene-coated glass. The degree of crystallinity of the as-prepared MoS2 was discovered to be adjustable by varying the temperature through postannealing. The high-temperature thermolysis (1000 °C) results

  20. Strong dopant dependence of electric transport in ion-gated MoS2

    NARCIS (Netherlands)

    Piatti, Erik; Chen, Qihong; Ye, Jianting

    2017-01-01

    We report modifications of the temperature-dependent transport properties of MoS2 thin flakes via field-driven ion intercalation in an electric double layer transistor. We find that intercalation with Li+ ions induces the onset of an inhomogeneous superconducting state. Intercalation with K+ leads

  1. Structure and tribological properties of MoS2 low friction thin films

    Directory of Open Access Journals (Sweden)

    Paradecka Agnieszka

    2017-01-01

    Full Text Available The main aim of the studies was the deposition of the AlCrN film, covered by molybdenum disulphide (MoS2 – based lubricant, on the austenitic steel substrate. The AlCrN and MoS2 layers were deposited by PVD lateral rotating ARC-cathodes (LARC and magnetron sputtering technology on the X6CrNiMoTi17-12-2 respectively. Structural characterizations of the MoS2 thin films have been carried out using SEM (scanning electron microscopy and AFM (atomic force microscopy to determine the surface topography as well as HRTEM (high-resolution transmission electron microscopy and Raman spectroscopy for structural investigations. The tribological wear relationships using ball-on-disc test were specified for surface layers, determining the friction co-efficient and mass loss of the investigated surfaces. Tests of the coatings’ adhesion to the substrate material were made using the scratch test. HRTEM investigation shows an amorphous character of the MoS2 layer. In sliding dry friction conditions, the friction co-efficient for the investigated elements is set in the range between 0.4-0.5. The investigated coating reveals high wear resistance. The coating demonstrated a dense cross-sectional morphology as well as good adhesion to the substrate. The good properties of the PVD AlCrN+MoS2 coatings make them suitable in various engineering and industrial applications.

  2. Edge-spin-derived magnetism in few-layer MoS2 nanomeshes

    Directory of Open Access Journals (Sweden)

    G. Kondo

    2017-12-01

    Full Text Available Magnetism arising from edge spins is highly interesting, particularly in 2D atomically thin materials in which the influence of edges becomes more significant. Among such materials, molybdenum disulfide (MoS2; one of the transition metal dichalcogenide (TMD family is attracting significant attention. The causes for magnetism observed in the TMD family, including in MoS2, have been discussed by considering various aspects, such as pure zigzag atomic-structure edges, grain boundaries, and vacancies. Here, we report the observation of ferromagnetism (FM in few-layer MoS2 nanomeshes (NMs; honeycomb-like array of hexagonal nanopores with low-contamination and low-defect pore edges, which have been created by a specific non-lithographic method. We confirm robust FM arising from pore edges in oxygen(O-terminated MoS2-NMs at room temperature, while it disappears in hydrogen(H-terminated samples. The observed high-sensitivity of FM to NM structures and critical annealing temperatures suggest a possibility that the Mo-atom dangling bond in pore edge is a dominant factor for the FM.

  3. Relation between film thickness and surface doping of MoS2 based field effect transistors

    Science.gov (United States)

    Lockhart de la Rosa, César J.; Arutchelvan, Goutham; Leonhardt, Alessandra; Huyghebaert, Cedric; Radu, Iuliana; Heyns, Marc; De Gendt, Stefan

    2018-05-01

    Ultra-thin MoS2 film doping through surface functionalization with physically adsorbed species is of great interest due to its ability to dope the film without reduction in the carrier mobility. However, there is a need for understanding how the thickness of the MoS2 film is related to the induced surface doping for improved electrical performance. In this work, we report on the relation of MoS2 film thickness with the doping effect induced by the n-dopant adsorbate poly(vinyl-alcohol). Field effect transistors built using MoS2 films of different thicknesses were electrically characterized, and it was observed that the ION/OFF ratio after doping in thin films is more than four orders of magnitudes greater when compared with thick films. Additionally, a semi-classical model tuned with the experimental devices was used to understand the spatial distribution of charge in the channel and explain the observed behavior. From the simulation results, it was revealed that the two-dimensional carrier density induced by the adsorbate is distributed rather uniformly along the complete channel for thin films (<5.2 nm) contrary to what happens for thicker films.

  4. Effect of Dielectric Interface on the Performance of MoS2 Transistors.

    Science.gov (United States)

    Li, Xuefei; Xiong, Xiong; Li, Tiaoyang; Li, Sichao; Zhang, Zhenfeng; Wu, Yanqing

    2017-12-27

    Because of their wide bandgap and ultrathin body properties, two-dimensional materials are currently being pursued for next-generation electronic and optoelectronic applications. Although there have been increasing numbers of studies on improving the performance of MoS 2 field-effect transistors (FETs) using various methods, the dielectric interface, which plays a decisive role in determining the mobility, interface traps, and thermal transport of MoS 2 FETs, has not been well explored and understood. In this article, we present a comprehensive experimental study on the effect of high-k dielectrics on the performance of few-layer MoS 2 FETs from 300 to 4.3 K. Results show that Al 2 O 3 /HfO 2 could boost the mobility and drain current. Meanwhile, MoS 2 transistors with Al 2 O 3 /HfO 2 demonstrate a 2× reduction in oxide trap density compared to that of the devices with the conventional SiO 2 substrate. Also, we observe a negative differential resistance effect on the device with 1 μm-channel length when using conventional SiO 2 as the gate dielectric due to self-heating, and this is effectively eliminated by using the Al 2 O 3 /HfO 2 gate dielectric. This dielectric engineering provides a highly viable route to realizing high-performance transition metal dichalcogenide-based FETs.

  5. Atomic layer MoS2-graphene van der Waals heterostructure nanomechanical resonators.

    Science.gov (United States)

    Ye, Fan; Lee, Jaesung; Feng, Philip X-L

    2017-11-30

    Heterostructures play significant roles in modern semiconductor devices and micro/nanosystems in a plethora of applications in electronics, optoelectronics, and transducers. While state-of-the-art heterostructures often involve stacks of crystalline epi-layers each down to a few nanometers thick, the intriguing limit would be hetero-atomic-layer structures. Here we report the first experimental demonstration of freestanding van der Waals heterostructures and their functional nanomechanical devices. By stacking single-layer (1L) MoS 2 on top of suspended single-, bi-, tri- and four-layer (1L to 4L) graphene sheets, we realize an array of MoS 2 -graphene heterostructures with varying thickness and size. These heterostructures all exhibit robust nanomechanical resonances in the very high frequency (VHF) band (up to ∼100 MHz). We observe that fundamental-mode resonance frequencies of the heterostructure devices fall between the values of graphene and MoS 2 devices. Quality (Q) factors of heterostructure resonators are lower than those of graphene but comparable to those of MoS 2 devices, suggesting interface damping related to interlayer interactions in the van der Waals heterostructures. This study validates suspended atomic layer heterostructures as an effective device platform and provides opportunities for exploiting mechanically coupled effects and interlayer interactions in such devices.

  6. Stacking stability of MoS2 bilayer: An ab initio study

    International Nuclear Information System (INIS)

    Tao Peng; Guo Huai-Hong; Yang Teng; Zhang Zhi-Dong

    2014-01-01

    The study of the stacking stability of bilayer MoS 2 is essential since a bilayer has exhibited advantages over single layer MoS 2 in many aspects for nanoelectronic applications. We explored the relative stability, optimal sliding path between different stacking orders of bilayer MoS 2 , and (especially) the effect of inter-layer stress, by combining first-principles density functional total energy calculations and the climbing-image nudge-elastic-band (CI-NEB) method. Among five typical stacking orders, which can be categorized into two kinds (I: AA, AB and II: AA', AB', A'B), we found that stacking orders with Mo and S superposing from both layers, such as AA' and AB, is more stable than the others. With smaller computational efforts than potential energy profile searching, we can study the effect of inter-layer stress on the stacking stability. Under isobaric condition, the sliding barrier increases by a few eV/(ucGPa) from AA' to AB', compared to 0.1 eV/(ucGPa) from AB to [AB]. Moreover, we found that interlayer compressive stress can help enhance the transport properties of AA'. This study can help understand why inter-layer stress by dielectric gating materials can be an effective means to improving MoS 2 on nanoelectronic applications. (condensed matter: structural, mechanical, and thermal properties)

  7. Anisotropic MoS2 Nanosheets Grown on Self-Organized Nanopatterned Substrates.

    Science.gov (United States)

    Martella, Christian; Mennucci, Carlo; Cinquanta, Eugenio; Lamperti, Alessio; Cappelluti, Emmanuele; Buatier de Mongeot, Francesco; Molle, Alessandro

    2017-05-01

    Manipulating the anisotropy in 2D nanosheets is a promising way to tune or trigger functional properties at the nanoscale. Here, a novel approach is presented to introduce a one-directional anisotropy in MoS 2 nanosheets via chemical vapor deposition (CVD) onto rippled patterns prepared on ion-sputtered SiO 2 /Si substrates. The optoelectronic properties of MoS 2 are dramatically affected by the rippled MoS 2 morphology both at the macro- and the nanoscale. In particular, strongly anisotropic phonon modes are observed depending on the polarization orientation with respect to the ripple axis. Moreover, the rippled morphology induces localization of strain and charge doping at the nanoscale, thus causing substantial redshifts of the phonon mode frequencies and a topography-dependent modulation of the MoS 2 workfunction, respectively. This study paves the way to a controllable tuning of the anisotropy via substrate pattern engineering in CVD-grown 2D nanosheets. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Van der Waals epitaxial growth of MoS2 on SiO2/Si by chemical vapor deposition

    KAUST Repository

    Cheng, Yingchun; Yao, Kexin; Yang, Yang; LI, LIANG; Yao, Yingbang; Wang, Qingxiao; Zhang, Xixiang; Han, Yu; Schwingenschlö gl, Udo

    2013-01-01

    Recently, single layer MoS2 with a direct band gap of 1.9 eV has been proposed as a candidate for two dimensional nanoelectronic devices. However, the synthetic approach to obtain high-quality MoS2 atomic thin layers is still problematic

  9. Improving the tribological and corrosive properties of MoS2-based coatings by dual-doping and multilayer construction

    Science.gov (United States)

    Shang, Kedong; Zheng, Shaoxian; Ren, Siming; Pu, Jibin; He, Dongqing; Liu, Shuan

    2018-04-01

    The pure MoS2 coating always performs high friction coefficient and short service life when used in high humidity or after long-time storage in humid atmospheric environment. In this study, the MoS2/Pb-Ti composite and MoS2/Pb-Ti multilayer coatings are deposited to improve the corrosion resistance in 3.5 wt% NaCl solution and tribological performance in high humidity condition. The electrochemical impedance spectra and salt spray test shown that the MoS2/Pb-Ti composite and multilayer coatings can inhibit the permeation of oxygen and other corrosive elements, thus resulting a high corrosion resistance. Furthermore, compared with pure MoS2 coating, the tribological performance of the MoS2/Pb-Ti composite and multilayer coatings is also improved significantly owing to the high mechanical properties and compact structure. Moreover, the heterogenous interfaces in MoS2/Pb-Ti multilayer coating play an important role to improve the corrosion resistance and tribological performance of coatings. Overall, the dual-doping and multilayer construction are promising approaches to design the MoS2 coatings as the environmentally adaptive lubricants.

  10. High pressure effect on MoS2 and MoSe2 single crystals grown by ...

    Indian Academy of Sciences (India)

    Unknown

    tetrahedral anvil apparatus up to 5 GPa. In this paper we report room temperature resistance mea- surements as a function of pressure on MoS2 and MoSe2 single crystals. In each case the resistance decreases un- der pressure due to an increase in the carrier concentration. 2. Experimental. Single crystals of MoS2 and ...

  11. Enhanced performance of lithium-sulfur batteries with an ultrathin and lightweight MoS2/carbon nanotube interlayer

    Science.gov (United States)

    Yan, Lingjia; Luo, Nannan; Kong, Weibang; Luo, Shu; Wu, Hengcai; Jiang, Kaili; Li, Qunqing; Fan, Shoushan; Duan, Wenhui; Wang, Jiaping

    2018-06-01

    Ultrathin and lightweight MoS2/carbon nanotube (CNT) interlayers are developed to effectively trap polysulfides in high-performance lithium-sulfur (Li-S) batteries. The MoS2/CNT interlayer is constructed by loading MoS2 nanosheets onto a cross-stacked CNT film. The CNT film with excellent conductivity and superior mechanical properties provides the Li-S batteries with a uniform conductive network, a supporting skeleton for the MoS2 nanosheets, as well as a physical barrier for the polysulfides. Moreover, chemical interactions and bonding between the MoS2 nanosheets and the polysulfides are evident. The electrode with the MoS2/CNT interlayer delivers an attractive specific capacity of 784 mA h g-1 at a high capacity rate of 10 C. In addition, the electrode demonstrates a high initial capacity of 1237 mA h g-1 and a capacity fade as low as -0.061% per cycle over 500 charge/discharge cycles at 0.2 C. The problem of self-discharge can also be suppressed with the introduction of the MoS2/CNT interlayer. The simple fabrication procedure, which is suitable for commercialization, and the outstanding electrochemical performance of the cells with the MoS2/CNT interlayer demonstrate a great potential for the development of high-performance Li-S batteries.

  12. Moiré-related in-gap states in a twisted MoS2/graphite heterojunction

    KAUST Repository

    Lu, Chun-I; Butler, Christopher J.; Huang, Jing-Kai; Chu, Yu-Hsun; Yang, Hung-Hsiang; Wei, Ching-Ming; Li, Lain-Jong; Lin, Minn-Tsong

    2017-01-01

    the band gap range of MoS2, and by comparing the tunneling spectra from MoS2 grains of varying rotation with respect to the substrate, show that these features have small but non-negligible dependence on the moiré superstructure. Furthermore, within a

  13. Highly Flexible and High-Performance Complementary Inverters of Large-Area Transition Metal Dichalcogenide Monolayers

    KAUST Repository

    Pu, Jiang; Funahashi, Kazuma; Chen, Chang-Hsiao; Li, Ming-yang; Li, Lain-Jong; Takenobu, Taishi

    2016-01-01

    Complementary inverters constructed from large-area monolayers of WSe2 and MoS2 achieve excellent logic swings and yield an extremely high gain, large total noise margin, low power consumption, and good switching speed. Moreover, the WSe2

  14. Anomalous photoluminescence thermal quenching of sandwiched single layer MoS_2

    KAUST Repository

    Tangi, Malleswararao; Shakfa, Mohammad Khaled; Mishra, Pawan; Li, Ming-Yang; Chiu, Ming-Hui; Ng, Tien Khee; Li, Lain-Jong; Ooi, Boon S.

    2017-01-01

    We report an unusual thermal quenching of the micro-photoluminescence (µ-PL) intensity for a sandwiched single-layer (SL) MoS2. For this study, MoS2 layers were chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N lattice matched templates. Later, to accomplish air-stable sandwiched SL-MoS2, a thin In0.15Al0.85N cap layer was deposited on the MoS2/In0.15Al0.85N heterostructure. We confirm that the sandwiched MoS2 is a single layer from optical and structural analyses using µ-Raman spectroscopy and scanning transmission electron microscopy, respectively. By using high-resolution X-ray photoelectron spectroscopy, no structural phase transition of MoS2 is noticed. The recombination processes of bound and free excitons were analyzed by the power-dependent µ-PL studies at 77 K and room temperature (RT). The temperature-dependent micro photoluminescence (TDPL) measurements were carried out in the temperature range of 77 – 400 K. As temperature increases, a significant red-shift is observed for the free-exciton PL peak, revealing the delocalization of carriers. Further, we observe unconventional negative thermal quenching behavior, the enhancement of the µ-PL intensity with increasing temperatures up to 300K, which is explained by carrier hopping transitions that take place between shallow localized states to the band-edges. Thus, this study renders a fundamental insight into understanding the anomalous thermal quenching of µ-PL intensity of sandwiched SL-MoS2.

  15. Anomalous photoluminescence thermal quenching of sandwiched single layer MoS_2

    KAUST Repository

    Tangi, Malleswararao

    2017-09-22

    We report an unusual thermal quenching of the micro-photoluminescence (µ-PL) intensity for a sandwiched single-layer (SL) MoS2. For this study, MoS2 layers were chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N lattice matched templates. Later, to accomplish air-stable sandwiched SL-MoS2, a thin In0.15Al0.85N cap layer was deposited on the MoS2/In0.15Al0.85N heterostructure. We confirm that the sandwiched MoS2 is a single layer from optical and structural analyses using µ-Raman spectroscopy and scanning transmission electron microscopy, respectively. By using high-resolution X-ray photoelectron spectroscopy, no structural phase transition of MoS2 is noticed. The recombination processes of bound and free excitons were analyzed by the power-dependent µ-PL studies at 77 K and room temperature (RT). The temperature-dependent micro photoluminescence (TDPL) measurements were carried out in the temperature range of 77 – 400 K. As temperature increases, a significant red-shift is observed for the free-exciton PL peak, revealing the delocalization of carriers. Further, we observe unconventional negative thermal quenching behavior, the enhancement of the µ-PL intensity with increasing temperatures up to 300K, which is explained by carrier hopping transitions that take place between shallow localized states to the band-edges. Thus, this study renders a fundamental insight into understanding the anomalous thermal quenching of µ-PL intensity of sandwiched SL-MoS2.

  16. Pristine Basal- and Edge-Plane-Oriented Molybdenite MoS2 Exhibiting Highly Anisotropic Properties.

    Science.gov (United States)

    Tan, Shu Min; Ambrosi, Adriano; Sofer, Zdenĕk; Huber, Štěpán; Sedmidubský, David; Pumera, Martin

    2015-05-04

    The layered structure of molybdenum disulfide (MoS2 ) is structurally similar to that of graphite, with individual sheets strongly covalently bonded within but held together through weak van der Waals interactions. This results in two distinct surfaces of MoS2 : basal and edge planes. The edge plane was theoretically predicted to be more electroactive than the basal plane, but evidence from direct experimental comparison is elusive. Herein, the first study comparing the two surfaces of MoS2 by using macroscopic crystals is presented. A careful investigation of the electrochemical properties of macroscopic MoS2 pristine crystals with precise control over the exposure of one plane surface, that is, basal plane or edge plane, was performed. These crystals were characterized thoroughly by AFM, Raman spectroscopy, X-ray photoelectron spectroscopy, voltammetry, digital simulation, and DFT calculations. In the Raman spectra, the basal and edge planes show anisotropy in the preferred excitation of E2g and A1g phonon modes, respectively. The edge plane exhibits a much larger heterogeneous electron transfer rate constant k(0) of 4.96×10(-5) and 1.1×10(-3)  cm s(-1) for [Fe(CN)6 ](3-/4-) and [Ru(NH3 )6 ](3+/2+) redox probes, respectively, compared to the basal plane, which yielded k(0) tending towards zero for [Fe(CN)6 ](3-/4-) and about 9.3×10(-4)  cm s(-1) for [Ru(NH3 )6 ](3+/2+) . The industrially important hydrogen evolution reaction follows the trend observed for [Fe(CN)6 ](3-/4-) in that the basal plane is basically inactive. The experimental comparison of the edge and basal planes of MoS2 crystals is supported by DFT calculations. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Three-dimensional nanoporous MoS2 framework decorated with Au nanoparticles for surface-enhanced Raman scattering

    Science.gov (United States)

    Sheng, Yingqiang; Jiang, Shouzhen; Yang, Cheng; Liu, Mei; Liu, Aihua; Zhang, Chao; Li, Zhen; Huo, Yanyan; Wang, Minghong; Man, Baoyuan

    2017-08-01

    The three-dimensional (3D) MoS2 decorated with Au nanoparticles (Au NPs) hybrids (3D MoS2-Au NPs) for surface-enhanced Raman scattering (SERS) sensing was demonstrated in this paper. SEM, Raman spectroscopy, TEM, SAED, EDX and XRD were performed to characterize 3D MoS2-Au NPs hybrids. Rhodamine 6G (R6G), fluorescein and gallic acid molecules were used as the probe for the SERS detection of the 3D MoS2-Au NPs hybrids. In addition, we modeled the enhancement of the electric field of MoS2-Au NPs hybrids using Finite-difference time-domain (FDTD) analysis, which can further give assistance to the mechanism understanding of the SERS activity.

  18. One step hydrothermal synthesis of 3D CoS2@MoS2-NG for high performance supercapacitors.

    Science.gov (United States)

    Meng, Qi; Chen, Yizhi; Zhu, Wenkun; Zhang, Ling; Yang, Xiaoyong; Duan, Tao

    2018-05-03

    A three-dimensional (3D) MoS 2 coated CoS 2 -nitrogen doped graphene (NG) (CoS 2 @MoS 2 -NG) hybrid has been synthesized by a one step hydrothermal method as supercapacitor (SC) electrode material for the first time. Such a composite consists of NG embedded with stacked CoS 2 @MoS 2 sheets. With a 3D skeleton, it prevents the agglomeration of CoS 2 @MoS 2 nanoparticles, resulting in sound conductivity, rich porous structures and a large surface area. The results indicate that CoS 2 @MoS 2 -NG has higher specific capacitance (198 F g -1 at 1 A g -1 ), better rate performance (with about 56.57% from 1 to 16 A g -1 ) and an improved cycle stability (with about 96.97% after 1000 cycles). It is an ideal candidate for SC electrode materials.

  19. Edge-rich MoS_2 Naonosheets Rooting into Polyaniline Nanofibers as Effective Catalyst for Electrochemical Hydrogen Evolution

    International Nuclear Information System (INIS)

    Zhang, Nan; Ma, Weiguang; Wu, Tongshun; Wang, Haoyu; Han, Dongxue; Niu, Li

    2015-01-01

    Graphical abstract: For the first time polyaniline (PANI) was employed as an admirable substrate to construct the hierarchical integrative hybrid with MoS_2 (MoS_2/PANI) for hydrogen evolution reaction (HER), which achieved great active edges exposure and excellent HER performance. - Highlights: • PANI is first applied as the support of MoS_2 for enhanced HER performance. • Great active edges exposure of the hybrid significantly benefits the HER activity. • Superior HER activity and excellent stability of MoS_2/PANI have been achieved. - Abstract: Conductive polymer polyaniline (PANI) with abundant protonated sites which are beneficial to hydrogen evolution reaction (HER), was applied as the support of MoS_2 for enhanced HER performance for the first time. The novel three dimensional (3D) HER catalyst (MoS_2/PANI) was constructed with two dimensional (2D) MoS_2 building blocks rooting into the integrative nanowires. PANI nanofibers acted as excellent substrates for the uniform, dense and approximate vertical growth of MoS_2 nanosheets exposing abundant active edges. Consequently, excellent HER performance has been achieved with a low onset overpotential of 100 mV and a small Tafel slope of 45 mV dec"−"1. Most importantly, it only needed 200 and 247 mV overpotential to reach the current density of 30 and 100 mA/cm"2 respectively. Additionally, MoS_2/PANI has achieved superior stability over other MoS_2-polymer-based HER electrocatalyst. In general, for the first time, employing PANI for the construction of the edge-rich integrative hybrid has successfully achieved an outstanding HER performance.

  20. Synthesis and characterization of solvent-free ionic molybdenum disulphide (MoS2) nanofluids

    International Nuclear Information System (INIS)

    Gu, Shu-Ying; Gao, Xie-Feng; Zhang, Yi-Han

    2015-01-01

    A development of the novel and stable solvent-free ionic MoS 2 nanofluids by a facile and scalable hydrothermal method is presented. The nanofluids were synthesized by surface functionalizing nanoscale MoS 2 from hydrothermal synthesis with a charged corona, and ionically tethering with oligomeric chains as a canopy. The structures and properties of the nanofluids were characterized by Fourier transform infrared (FTIR), nuclear magnetic resonance (NMR, 1 H), differential scanning calorimeter (DSC), thermogravimetric analysis (TGA) and ARES rheometer. The obtained solvent-free nanofluids are homogeneous, stable amber-like fluids with no evidence of phase separation. The nanofluids could be easily dispersed in both aqueous and organic solvents to form transparent and stable liquids due to the ionic nature and the presence of oligomeric polymer chains. It was found that the solvent-free nanofluids with up to 32 wt% inorganic content show Newtonian rheological behaviors due to the high graft density and uniform dispersion of inorganic cores, indicating that the nanofluids would have a stable lubricating performance. As reported in our previous communication, the nanofluids showing lower, more stable friction coefficients of less than 0.1 with self-healing lubricating behaviors. For deeper understanding of the nanofluids, the details of synthesis, chemical structures, rheological behaviors and molecular dynamics of the nanofluids were investigated in details. The rheological behaviors can be tailored by varying the grafting density of the canopy. Dynamic results of the canopy of the MoS 2 nanofluids show that inorganic MoS 2 cores have hindrance effect on the canopy segmental motions above 253 K due to their effect to the mobility of anions and the departing-recombining motions between the paired cations and anions. - Highlights: • A development of the novel synthesis of solvent-free MoS 2 nanofluids is presented. • The rheological behaviors can be tailored by varying the grafting density. • The canopy molecules are mobile and exchange between paired cations and anions. • The MoS 2 cores have hindrance effect on the canopy segmental motions above 253 K

  1. Facile Fabrication of MoS2-Modified SnO2 Hybrid Nanocomposite for Ultrasensitive Humidity Sensing.

    Science.gov (United States)

    Zhang, Dongzhi; Sun, Yan'e; Li, Peng; Zhang, Yong

    2016-06-08

    An ultrasensitive humidity sensor based on molybdenum-disulfide- (MoS2)-modified tin oxide (SnO2) nanocomposite has been demonstrated in this work. The nanostructural, morphological, and compositional properties of an as-prepared MoS2/SnO2 nanocomposite were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), energy dispersive spectrometry (EDS), nitrogen sorption analysis, and Raman spectroscopy, which confirmed its successful preparation and rationality. The sensing characteristics of the MoS2/SnO2 hybrid film device against relative humidity (RH) were investigated at room temperature. The RH sensing results revealed an unprecedented response, ultrafast response/recovery behaviors, and outstanding repeatability. To our knowledge, the sensor response yielded in this work was tens of times higher than that of the existing humidity sensors. Moreover, the MoS2/SnO2 hybrid nanocomposite film sensor exhibited great enhancement in humidity sensing performances as compared to the pure MoS2, SnO2, and graphene counterparts. Furthermore, complex impedance spectroscopy and bode plots were employed to understand the underlying sensing mechanisms of the MoS2/SnO2 nanocomposite toward humidity. The synthesized MoS2/SnO2 hybrid composite was proved to be an excellent candidate for constructing ultrahigh-performance humidity sensor toward various applications.

  2. Electrical performance of multilayer MoS2 transistors on high-κ Al2O3 coated Si substrates

    Directory of Open Access Journals (Sweden)

    Tao Li

    2015-05-01

    Full Text Available The electrical performance of MoS2 can be engineered by introducing high-κ dielectrics, while the interactions between high-κ dielectrics and MoS2 need to be studied. In this study, multilayer MoS2 field-effect transistors (FETs with a back-gated configuration were fabricated on high-κ Al2O3 coated Si substrates. Compared with MoS2 FETs on SiO2, the field-effect mobility (μFE and subthreshold swing (SS were remarkably improved in MoS2/Al2O3/Si. The improved μFE was thought to result from the dielectric screening effect from high-κ Al2O3. When a HfO2 passivation layer was introduced on the top of MoS2/Al2O3/Si, the field-effect mobility was further enhanced, which was thought to be concerned with the decreased contact resistance between the metal and MoS2. Meanwhile, the interface trap density increased from 2.4×1012 eV−1cm−2 to 6.3×1012 eV−1cm−2. The increase of the off-state current and the negative shift of the threshold voltage may be related to the increase of interface traps.

  3. Solution processable mixed-solvent exfoliated MoS2 nanosheets for efficient and robust organic light-emitting diodes

    Science.gov (United States)

    Liu, Chia-Wei; Wang, Chia; Liao, Chia-Wei; Golder, Jan; Tsai, Ming-Chih; Young, Hong-Tsu; Chen, Chin-Ti; Wu, Chih-I.

    2018-04-01

    We demonstrate the use of solution-processed molybdenum trioxide (MoO3) nanoparticle-decorated molybdenum disulfide (MoS2) nanosheets (MoS2/MoO3) as hole injection layer (HIL) in organic lighting diodes (OLEDs). The device performance is shown to be significantly improved by the introduction of such MoS2/MoO3 HIL without any post-ultraviolet-ozone treatment, and is shown to better the performance of devices fabricated using conventional poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS) and MoO3 nanoparticle HILs. The MoS2/MoO3 nanosheets form a compact film, as smooth as PEDOT:PSS films and smoother than MoO3 nanoparticle films, when simply spin-coated on indium tin oxide substrates. The improvement in device efficiency can be attributed to the smooth surface of the nanostructured MoS2/MoO3 HIL and the excellent conductivity characteristics of the two-dimensional (2D) layered material (MoS2), which facilitate carrier transport in the device and reduce the sheet resistance. Moreover, the long-term stability of OLED devices that use such MoS2/MoO3 layers is shown to be improved dramatically compared with hygroscopic and acidic PEDOT:PSS-based devices.

  4. Solution processable mixed-solvent exfoliated MoS2 nanosheets for efficient and robust organic light-emitting diodes

    Directory of Open Access Journals (Sweden)

    Chia-Wei Liu

    2018-04-01

    Full Text Available We demonstrate the use of solution-processed molybdenum trioxide (MoO3 nanoparticle-decorated molybdenum disulfide (MoS2 nanosheets (MoS2/MoO3 as hole injection layer (HIL in organic lighting diodes (OLEDs. The device performance is shown to be significantly improved by the introduction of such MoS2/MoO3 HIL without any post-ultraviolet-ozone treatment, and is shown to better the performance of devices fabricated using conventional poly(3,4-ethylenedioxythiophene-poly(styrenesulfonate (PEDOT:PSS and MoO3 nanoparticle HILs. The MoS2/MoO3 nanosheets form a compact film, as smooth as PEDOT:PSS films and smoother than MoO3 nanoparticle films, when simply spin-coated on indium tin oxide substrates. The improvement in device efficiency can be attributed to the smooth surface of the nanostructured MoS2/MoO3 HIL and the excellent conductivity characteristics of the two-dimensional (2D layered material (MoS2, which facilitate carrier transport in the device and reduce the sheet resistance. Moreover, the long-term stability of OLED devices that use such MoS2/MoO3 layers is shown to be improved dramatically compared with hygroscopic and acidic PEDOT:PSS-based devices.

  5. Fabrication and electrical properties of MoS2 nanodisc-based back-gated field effect transistors.

    Science.gov (United States)

    Gu, Weixia; Shen, Jiaoyan; Ma, Xiying

    2014-02-28

    Two-dimensional (2D) molybdenum disulfide (MoS2) is an attractive alternative semiconductor material for next-generation low-power nanoelectronic applications, due to its special structure and large bandgap. Here, we report the fabrication of large-area MoS2 nanodiscs and their incorporation into back-gated field effect transistors (FETs) whose electrical properties we characterize. The MoS2 nanodiscs, fabricated via chemical vapor deposition (CVD), are homogeneous and continuous, and their thickness of around 5 nm is equal to a few layers of MoS2. In addition, we find that the MoS2 nanodisc-based back-gated field effect transistors with nickel electrodes achieve very high performance. The transistors exhibit an on/off current ratio of up to 1.9 × 105, and a maximum transconductance of up to 27 μS (5.4 μS/μm). Moreover, their mobility is as high as 368 cm2/Vs. Furthermore, the transistors have good output characteristics and can be easily modulated by the back gate. The electrical properties of the MoS2 nanodisc transistors are better than or comparable to those values extracted from single and multilayer MoS2 FETs.

  6. Enhanced hydrogen generation by hydrolysis of Mg doped with flower-like MoS2 for fuel cell applications

    Science.gov (United States)

    Huang, Minghong; Ouyang, Liuzhang; Liu, Jiangwen; Wang, Hui; Shao, Huaiyu; Zhu, Min

    2017-10-01

    In this work, flower-like MoS2 spheres are synthesized via a hydrothermal method and the catalytic activity of the as-prepared and bulk MoS2 on hydrolysis of Mg is systematically investigated for the first time. The Mg-MoS2 composites are prepared by ball milling and the hydrogen generation performances of the composites are investigated in 3.5% NaCl solution. The experimental results suggest that the as-prepared MoS2 exhibits better catalytic effect on hydrolysis of Mg compared to bulk MoS2. In particular, Mg-10 wt% MoS2 (as-prepared) composite milled for 1 h shows the best hydrogen generation properties and releases 90.4% of theoretical hydrogen generation capacity within 1 min at room temperature. The excellent catalytic effect of as-prepared MoS2 may be attributed to the following aspects: three-dimensional flower-like MoS2 architectures improve its dispersibility on Mg particles; make the composite more reactive; hamper the generated Mg(OH)2 from adhering to the surface of Mg; and increase the galvanic corrosion of Mg. In addition, a hydrogen generator based on the hydrolysis reaction of Mg-0.2 wt% MoS2 composite is manufactured and it can supply a maximum hydrogen flow rate of 2.5 L/min. The findings here demonstrate the as-prepared flower-like MoS2 can be a promising catalyst for hydrogen generation from Mg.

  7. Mimicking Neurotransmitter Release in Chemical Synapses via Hysteresis Engineering in MoS2 Transistors.

    Science.gov (United States)

    Arnold, Andrew J; Razavieh, Ali; Nasr, Joseph R; Schulman, Daniel S; Eichfeld, Chad M; Das, Saptarshi

    2017-03-28

    Neurotransmitter release in chemical synapses is fundamental to diverse brain functions such as motor action, learning, cognition, emotion, perception, and consciousness. Moreover, improper functioning or abnormal release of neurotransmitter is associated with numerous neurological disorders such as epilepsy, sclerosis, schizophrenia, Alzheimer's disease, and Parkinson's disease. We have utilized hysteresis engineering in a back-gated MoS 2 field effect transistor (FET) in order to mimic such neurotransmitter release dynamics in chemical synapses. All three essential features, i.e., quantal, stochastic, and excitatory or inhibitory nature of neurotransmitter release, were accurately captured in our experimental demonstration. We also mimicked an important phenomenon called long-term potentiation (LTP), which forms the basis of human memory. Finally, we demonstrated how to engineer the LTP time by operating the MoS 2 FET in different regimes. Our findings could provide a critical component toward the design of next-generation smart and intelligent human-like machines and human-machine interfaces.

  8. Characterization of MoS2-Graphene Composites for High-Performance Coin Cell Supercapacitors.

    Science.gov (United States)

    Bissett, Mark A; Kinloch, Ian A; Dryfe, Robert A W

    2015-08-12

    Two-dimensional materials, such as graphene and molybdenum disulfide (MoS2), can greatly increase the performance of electrochemical energy storage devices because of the combination of high surface area and electrical conductivity. Here, we have investigated the performance of solution exfoliated MoS2 thin flexible membranes as supercapacitor electrodes in a symmetrical coin cell arrangement using an aqueous electrolyte (Na2SO4). By adding highly conductive graphene to form nanocomposite membranes, it was possible to increase the specific capacitance by reducing the resistivity of the electrode and altering the morphology of the membrane. With continued charge/discharge cycles the performance of the membranes was found to increase significantly (up to 800%), because of partial re-exfoliation of the layered material with continued ion intercalation, as well as increasing the specific capacitance through intercalation pseudocapacitance. These results demonstrate a simple and scalable application of layered 2D materials toward electrochemical energy storage.

  9. Uniform photoresponse in thermally oxidized Ni and MoS2 heterostructures

    International Nuclear Information System (INIS)

    Luo, Wei; Peng, Gang; Wang, Fei; Miao, Feng; Zhang, Xue-Ao; Qin, Shiqiao

    2017-01-01

    Non-uniform photocurrent is usually generated at the overlapped region of the heterostructures, and its potential applications may be hindered by the spatial uniformity issue of the device photoresponse. Here, nearly a uniform photoresponse at the overlapped region of the thermally oxidized Ni and molybdenum disulphide (MoS 2 ) heterostructures is obtained. Further characterizations reveal that several nanometers Ni is rightly under the NiO x layer formed at the surface of the film in the oxidation process. The heterostructures based on layered MoS 2 /NiO x /Ni with highly conductive bottom Ni show a high uniform photoresponse with an external quantum efficiency (EQE) of 1.4% at 532 nm. Moreover, successful integration of multiple devices suggests a great priority for such a structure for highly integrated uniform photodetectors. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  10. Soft-type trap-induced degradation of MoS2 field effect transistors

    Science.gov (United States)

    Cho, Young-Hoon; Ryu, Min-Yeul; Lee, Kook Jin; Park, So Jeong; Choi, Jun Hee; Lee, Byung-Chul; Kim, Wungyeon; Kim, Gyu-Tae

    2018-06-01

    The practical applicability of electronic devices is largely determined by the reliability of field effect transistors (FETs), necessitating constant searches for new and better-performing semiconductors. We investigated the stress-induced degradation of MoS2 multilayer FETs, revealing a steady decrease of drain current by 56% from the initial value after 30 min. The drain current recovers to the initial state when the transistor is completely turned off, indicating the roles of soft-traps in the apparent degradation. The noise current power spectrum follows the model of carrier number fluctuation–correlated mobility fluctuation (CNF–CMF) regardless of stress time. However, the reduction of the drain current was well fitted to the increase of the trap density based on the CNF–CMF model, attributing the presence of the soft-type traps of dielectric oxides to the degradation of the MoS2 FETs.

  11. Oxygen Passivation Mediated Tunability of Trion and Excitons in MoS2

    KAUST Repository

    Gogoi, Pranjal Kumar

    2017-08-17

    Using wide spectral range in situ spectroscopic ellipsometry with systematic ultrahigh vacuum annealing and in situ exposure to oxygen, we report the complex dielectric function of MoS2 isolating the environmental effects and revealing the crucial role of unpassivated and passivated sulphur vacancies. The spectral weights of the A (1.92 eV) and B (2.02 eV) exciton peaks in the dielectric function reduce significantly upon annealing, accompanied by spectral weight transfer in a broad energy range. Interestingly, the original spectral weights are recovered upon controlled oxygen exposure. This tunability of the excitonic effects is likely due to passivation and reemergence of the gap states in the band structure during oxygen adsorption and desorption, respectively, as indicated by ab initio density functional theory calculation results. This Letter unravels and emphasizes the important role of adsorbed oxygen in the optical spectra and many-body interactions of MoS2.

  12. Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

    KAUST Repository

    Chiu, Ming-Hui

    2015-07-16

    The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

  13. Determination of band alignment in the single-layer MoS2/WSe2 heterojunction

    KAUST Repository

    Chiu, Ming-Hui; Zhang, Chendong; Shiu, Hung-Wei; Chuu, Chih-Piao; Chen, Chang-Hsiao; Chang, Chih-Yuan S.; Chen, Chia-Hao; Chou, Mei-Yin; Shih, Chih-Kang; Li, Lain-Jong

    2015-01-01

    The emergence of two-dimensional electronic materials has stimulated proposals of novel electronic and photonic devices based on the heterostructures of transition metal dichalcogenides. Here we report the determination of band offsets in the heterostructures of transition metal dichalcogenides by using microbeam X-ray photoelectron spectroscopy and scanning tunnelling microscopy/spectroscopy. We determine a type-II alignment between MoS2 and WSe2 with a valence band offset value of 0.83 eV and a conduction band offset of 0.76 eV. First-principles calculations show that in this heterostructure with dissimilar chalcogen atoms, the electronic structures of WSe2 and MoS2 are well retained in their respective layers due to a weak interlayer coupling. Moreover, a valence band offset of 0.94 eV is obtained from density functional theory, consistent with the experimental determination.

  14. 2D MoS2 Neuromorphic Devices for Brain-Like Computational Systems.

    Science.gov (United States)

    Jiang, Jie; Guo, Junjie; Wan, Xiang; Yang, Yi; Xie, Haipeng; Niu, Dongmei; Yang, Junliang; He, Jun; Gao, Yongli; Wan, Qing

    2017-08-01

    Hardware implementation of artificial synapses/neurons with 2D solid-state devices is of great significance for nanoscale brain-like computational systems. Here, 2D MoS 2 synaptic/neuronal transistors are fabricated by using poly(vinyl alcohol) as the laterally coupled, proton-conducting electrolytes. Fundamental synaptic functions, such as an excitatory postsynaptic current, paired-pulse facilitation, and a dynamic filter for information transmission of biological synapse, are successfully emulated. Most importantly, with multiple input gates and one modulatory gate, spiking-dependent logic operation/modulation, multiplicative neural coding, and neuronal gain modulation are also experimentally demonstrated. The results indicate that the intriguing 2D MoS 2 transistors are also very promising for the next-generation of nanoscale neuromorphic device applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Spin transport properties of partially edge-hydrogenated MoS2 nanoribbon heterostructure

    International Nuclear Information System (INIS)

    Peng, Li; Yao, Kailun; Zhu, Sicong; Ni, Yun; Zu, Fengxia; Wang, Shuling; Guo, Bin; Tian, Yong

    2014-01-01

    We report ab initio calculations of electronic transport properties of heterostructure based on MoS 2 nanoribbons. The heterostructure consists of edge hydrogen-passivated and non-passivated zigzag MoS 2 nanoribbons (ZMoS 2 NR-H/ZMoS 2 NR). Our calculations show that the heterostructure has half-metallic behavior which is independent of the nanoribbon width. The opening of spin channels of the heterostructure depends on the matching of particular electronic orbitals in the Mo-dominated edges of ZMoS 2 NR-H and ZMoS 2 NR. Perfect spin filter effect appears at small bias voltages, and large negative differential resistance and rectifying effects are also observed in the heterostructure.

  16. MoS2-wrapped microfiber-based multi-wavelength soliton fiber laser

    Science.gov (United States)

    Lu, Feifei

    2017-11-01

    The single-, dual- and triple-wavelength passively mode-locked erbium-doped fiber lasers are demonstrated with MoS2 and polarization-dependent isolator (PD-ISO). The saturable absorber is fabricated by wrapping an MoS2 around a microfiber. The intracavity PD-ISO acts as a wavelength-tunable filter with a polarization controller (PC) by adjusting the linear birefringence. Single-wavelength mode-locked fiber laser can self-start with suitable pump power. With appropriate PC state, dual- and triple-wavelength operations can be observed when gains at different wavelengths reach a balance. It is noteworthy that dual-wavelength pulses exhibiting peak and dip sidebands, respectively, are demonstrated in the experiment. The proposed simple and multi-wavelength all-fiber conventional soliton lasers could possess potential applications in numerous fields, such as sensors, THz generations and optical communications.

  17. Oxygen Passivation Mediated Tunability of Trion and Excitons in MoS2

    KAUST Repository

    Gogoi, Pranjal Kumar; Hu, Zhenliang; Wang, Qixing; Carvalho, Alexandra; Schmidt, Daniel; Yin, Xinmao; Chang, Yung-Huang; Li, Lain-Jong; Sow, Chorng Haur; Neto, A.  H. Castro; Breese, Mark B.  H.; Rusydi, Andrivo; Wee, Andrew T.  S.

    2017-01-01

    Using wide spectral range in situ spectroscopic ellipsometry with systematic ultrahigh vacuum annealing and in situ exposure to oxygen, we report the complex dielectric function of MoS2 isolating the environmental effects and revealing the crucial role of unpassivated and passivated sulphur vacancies. The spectral weights of the A (1.92 eV) and B (2.02 eV) exciton peaks in the dielectric function reduce significantly upon annealing, accompanied by spectral weight transfer in a broad energy range. Interestingly, the original spectral weights are recovered upon controlled oxygen exposure. This tunability of the excitonic effects is likely due to passivation and reemergence of the gap states in the band structure during oxygen adsorption and desorption, respectively, as indicated by ab initio density functional theory calculation results. This Letter unravels and emphasizes the important role of adsorbed oxygen in the optical spectra and many-body interactions of MoS2.

  18. Oxygen Passivation Mediated Tunability of Trion and Excitons in MoS2

    Science.gov (United States)

    Gogoi, Pranjal Kumar; Hu, Zhenliang; Wang, Qixing; Carvalho, Alexandra; Schmidt, Daniel; Yin, Xinmao; Chang, Yung-Huang; Li, Lain-Jong; Sow, Chorng Haur; Neto, A. H. Castro; Breese, Mark B. H.; Rusydi, Andrivo; Wee, Andrew T. S.

    2017-08-01

    Using wide spectral range in situ spectroscopic ellipsometry with systematic ultrahigh vacuum annealing and in situ exposure to oxygen, we report the complex dielectric function of MoS2 isolating the environmental effects and revealing the crucial role of unpassivated and passivated sulphur vacancies. The spectral weights of the A (1.92 eV) and B (2.02 eV) exciton peaks in the dielectric function reduce significantly upon annealing, accompanied by spectral weight transfer in a broad energy range. Interestingly, the original spectral weights are recovered upon controlled oxygen exposure. This tunability of the excitonic effects is likely due to passivation and reemergence of the gap states in the band structure during oxygen adsorption and desorption, respectively, as indicated by ab initio density functional theory calculation results. This Letter unravels and emphasizes the important role of adsorbed oxygen in the optical spectra and many-body interactions of MoS2 .

  19. Synthesis and structural determination of twisted MoS2 nanotubes

    International Nuclear Information System (INIS)

    Santiago, P.; Schabes-Retchkiman, P.; Ascencio, J.A.; Mendoza, D.; Perez-Alvarez, M.; Espinosa, A.; Reza-SanGerman, C.; Camacho-Bragado, G.A.; Jose-Yacaman, M.

    2004-01-01

    In the present work we report the synthesis of MoS 2 nanotubes with diameters greater than 10 nm using a template method. The length and properties of these nanotubes are a direct result of the preparation method. High-resolution transmission electron microscopy is used to study the structure of these highly curved entities. Molecular dynamics simulations of MoS 2 nanotubes reveal that one of the stable forms of the nanotubes is a twisted one. The twisting of the nanotubes produces a characteristic contrast in the images, which is also studied using simulation methods. The analysis of the local contrast close to the perpendicular orientation shows geometrical arrays of dots in domain-like structures, which are demonstrated to be a product of the atomic overlapping of irregular curvatures in the nanotubes. The configuration of some of the experimentally obtained nanotubes is demonstrated to be twisted with a behavior suggesting partial plasticity. (orig.)

  20. Solid lubricant behavior of MoS2 and WSe2-based nanocomposite coatings

    Science.gov (United States)

    Domínguez-Meister, Santiago; Rojas, Teresa Cristina; Brizuela, Marta; Sánchez-López, Juan Carlos

    2017-12-01

    Tribological coatings made of MoS2 and WSe2 phases and their corresponding combinations with tungsten carbide (WC) were prepared by non-reactive magnetron sputtering of individual targets of similar composition. A comparative tribological analysis of these multiphase coatings was done in both ambient air (30-40% relative humidity, RH) and dry nitrogen (RHgoverns the tribological behavior for each type of environment. This allowed conclusions to be made about the influence of the coating microstructure and composition on the tribological response. The best performance obtained with a WSex film (specific wear rate of 2 × 10-8 mm3 N-1m-1 and a friction coefficient of 0.03-0.05) was compared with that of the well-established MoS2 lubricant material.

  1. Strain and Structure Heterogeneity in MoS2 Atomic Layers Grown by Chemical Vapour Deposition

    Science.gov (United States)

    2014-11-18

    cture heterogeneity in MoS2 atomiclayers grown by chemical vapour deposition 6. AUTHORS Zheng Liu, Matin Amani, Sina Najmaei, Quan Xu, Xiaolong Zou...deposition Zheng Liu1•2•3·*, Matin Amani4·*, Sina Najmaei5·*, Quan Xu6•7, Xiaolong Zou5, Wu Zhou8, Ting Yu9, Caiyu Qiu9, A Glen Birdwell4, Frank J. Crowne4

  2. Resonant enhancement of band-to-band tunneling in in-plane MoS2/WS2 heterojunctions

    Science.gov (United States)

    Kuroda, Tatsuya; Mori, Nobuya

    2018-04-01

    The band-to-band (BTB) tunneling current J through in-plane MoS2/WS2 heterojunctions is calculated by the nonequilibrium Green function method combined with tight-binding approximation. Types A and B of band configurations are considered. For type-A (type-B) heterojunctions, a potential notch exists (or is absent) at the heterointerface. Both type-A and type-B MoS2/WS2 heterojunctions can support a higher BTB current than MoS2 and WS2 homojunctions. For type-A heterojunctions, the resonant enhancement of J occurs resulting in a significantly higher BTB tunneling current.

  3. Phonon-limited mobility in n-type single-layer MoS2 from first principles

    DEFF Research Database (Denmark)

    Kaasbjerg, Kristen; Thygesen, Kristian S.; Jacobsen, Karsten W.

    2012-01-01

    We study the phonon-limited mobility in intrinsic n-type single-layer MoS2 for temperatures T > 100 K. The materials properties including the electron-phonon interaction are calculated from first principles and the deformation potentials and Frohlich interaction in single-layer MoS2 are established...... to recent experimental findings for the mobility in single-layer MoS2 (similar to 200 cm(2)V(-1)s(-1)), our results indicate that mobilities close to the intrinsic phonon-limited mobility can be achieved in two-dimensional materials via dielectric engineering that effectively screens static Coulomb...

  4. Emergence of Dirac and quantum spin Hall states in fluorinated monolayer As and AsSb

    KAUST Repository

    Zhang, Qingyun

    2016-01-21

    Using first-principles calculations, we investigate the electronic and vibrational properties of monolayer As and AsSb. While the pristine monolayers are semiconductors (direct band gap at the Γ point), fluorination results in Dirac cones at the K points. Fluorinated monolayer As shows a band gap of 0.16 eV due to spin-orbit coupling, and fluorinated monolayer AsSb a larger band gap of 0.37 eV due to inversion symmetry breaking. Spin-orbit coupling induces spin splitting similar to monolayer MoS2. Phonon calculations confirm that both materials are dynamically stable. Calculations of the edge states of nanoribbons by the tight-binding method demonstrate that fluorinated monolayer As is topologically nontrivial in contrast to fluorinated monolayer AsSb.

  5. Tribological Properties of Water-lubricated Rubber Materials after Modification by MoS2 Nanoparticles

    Science.gov (United States)

    Dong, Conglin; Yuan, Chengqing; Wang, Lei; Liu, Wei; Bai, Xiuqin; Yan, Xinping

    2016-01-01

    Frictional vibration and noise caused by water-lubricated rubber stern tube bearings, which are generated under extreme conditions, severely threaten underwater vehicles’ survivability and concealment performance. This study investigates the effect of flaky and spherical MoS2 nanoparticles on tribological properties and damping capacity of water-lubricated rubber materials, with the aim of decreasing frictional noise. A CBZ-1 tribo-tester was used to conduct the sliding tests between rubber ring-discs and ZCuSn10Zn2 ring-discs with water lubrication. These materials’ typical mechanical properties were analysed and compared. Coefficients of friction (COFs), wear rates, and surface morphologies were evaluated. Frictional noise and critical velocities of generating friction vibration were examined to corroborate above analysis. Results showed that spherical MoS2 nanoparticles enhanced rubber material’s mechanical and tribological properties and, in turn, reduced the friction noise and critical velocity. Flaky MoS2 nanoparticles reduced COF but did not enhance their mechanical properties, i.e., the damping capacity, wear resistance property; thus, these nanoparticles did not reduce the critical velocity obviously, even though increased the frictional noise at high load. The knowledge gained in the present work will be useful for optimizing friction pairs under extreme conditions to decrease frictional noise of water-lubricated rubber stern tube bearings. PMID:27713573

  6. Magic Clusters of MoS2 by Edge S2 Interdimer Spacing Modulation.

    Science.gov (United States)

    Ryou, Junga; Kim, Yong-Sung

    2018-05-17

    Edge atomic and electronic structures of S-saturated Mo-edge triangular MoS 2 nanoclusters are investigated using density functional theory calculations. The edge electrons described by the S 2 -p x p x π* (S 2 -Π x ) and Mo-d xy orbitals are found to interplay to pin the S 2 -Π x Fermi wavenumber at k F = 2/5 as the nanocluster size increases, and correspondingly, the ×5 Peierls edge S 2 interdimer spacing modulation is induced. For the particular sizes of N = 5 n - 2 and 5 n, where N is the number of Mo atoms at one edge representing the nanocluster size and n is a positive integer, the effective ×5 interdimer spacing modulation stabilizes the nanoclusters, which are identified here to be the magic S-saturated Mo-edge triangular MoS 2 nanoclusters. With the S 2 -Π x Peierls gap, the MoS 2 nanoclusters become far-edge S 2 -Π x semiconducting and subedge Mo-d xy metallic as N → ∞.

  7. Evaluation of pulsed laser annealing for flexible multilayer MoS2 transistors

    International Nuclear Information System (INIS)

    Kwon, Hyuk-Jun; Grigoropoulos, Costas P.; Kim, Sunkook; Jang, Jaewon

    2015-01-01

    To realize the proper electrical characteristics of field-effect transistors, the quality of the contact and interface must be improved because they can substantially distort the extracted mobility, especially for materials with low densities of states like molybdenum disulfide (MoS 2 ). We show that mechanically flexible MoS 2 thin-film transistors (TFTs) with selectively laser annealed source/drain electrodes achieve enhanced device performance without plastic deformation including higher field-effect mobility (from 19.59 to 45.91 cm 2  V −1  s −1 ) in the linear regime, decreased subthreshold swing, and enhanced current saturation. Furthermore, numerical thermal simulations, measured current-voltage characteristics, and contact-free mobility extracted from the Y-function method suggest that the enhanced performance originated from a decrease in the Schottky barrier effect at the contact and an improvement of the channel interface. These results demonstrate that picosecond laser annealing can be a promising technology for building high performance flexible MoS 2 TFTs in flexible/stretchable circuitry, which should be processed at low temperatures

  8. ReaxFF Reactive Force-Field Study of Molybdenum Disulfide (MoS2).

    Science.gov (United States)

    Ostadhossein, Alireza; Rahnamoun, Ali; Wang, Yuanxi; Zhao, Peng; Zhang, Sulin; Crespi, Vincent H; van Duin, Adri C T

    2017-02-02

    Two-dimensional layers of molybdenum disulfide, MoS 2 , have been recognized as promising materials for nanoelectronics due to their exceptional electronic and optical properties. Here we develop a new ReaxFF reactive potential that can accurately describe the thermodynamic and structural properties of MoS 2 sheets, guided by extensive density functional theory simulations. This potential is then applied to the formation energies of five different types of vacancies, various vacancy migration barriers, and the transition barrier between the semiconducting 2H and metallic 1T phases. The energetics of ripplocations, a recently observed defect in van der Waals layers, is examined, and the interplay between these defects and sulfur vacancies is studied. As strain engineering of MoS 2 sheets is an effective way to manipulate the sheets' electronic and optical properties, the new ReaxFF description can provide valuable insights into morphological changes that occur under various loading conditions and defect distributions, thus allowing one to tailor the electronic properties of these 2D crystals.

  9. Integrated circuits and logic operations based on single-layer MoS2.

    Science.gov (United States)

    Radisavljevic, Branimir; Whitwick, Michael Brian; Kis, Andras

    2011-12-27

    Logic circuits and the ability to amplify electrical signals form the functional backbone of electronics along with the possibility to integrate multiple elements on the same chip. The miniaturization of electronic circuits is expected to reach fundamental limits in the near future. Two-dimensional materials such as single-layer MoS(2) represent the ultimate limit of miniaturization in the vertical dimension, are interesting as building blocks of low-power nanoelectronic devices, and are suitable for integration due to their planar geometry. Because they are less than 1 nm thin, 2D materials in transistors could also lead to reduced short channel effects and result in fabrication of smaller and more power-efficient transistors. Here, we report on the first integrated circuit based on a two-dimensional semiconductor MoS(2). Our integrated circuits are capable of operating as inverters, converting logical "1" into logical "0", with room-temperature voltage gain higher than 1, making them suitable for incorporation into digital circuits. We also show that electrical circuits composed of single-layer MoS(2) transistors are capable of performing the NOR logic operation, the basis from which all logical operations and full digital functionality can be deduced.

  10. Large-area few-layer MoS 2 deposited by sputtering

    KAUST Repository

    Huang, Jyun-Hong

    2016-06-06

    Direct magnetron sputtering of transition metal dichalcogenide targets is proposed as a new approach for depositing large-area two-dimensional layered materials. Bilayer to few-layer MoS2 deposited by magnetron sputtering followed by post-deposition annealing shows superior area scalability over 20 cm(2) and layer-by-layer controllability. High crystallinity of layered MoS2 was confirmed by Raman, photo-luminescence, and transmission electron microscopy analysis. The sputtering temperature and annealing ambience were found to play an important role in the film quality. The top-gate field-effect transistor by using the layered MoS2 channel shows typical n-type characteristics with a current on/off ratio of approximately 10(4). The relatively low mobility is attributed to the small grain size of 0.1-1 mu m with a trap charge density in grain boundaries of the order of 10(13) cm(-2).

  11. Direct laser-patterned micro-supercapacitors from paintable MoS2 films.

    Science.gov (United States)

    Cao, Liujun; Yang, Shubin; Gao, Wei; Liu, Zheng; Gong, Yongji; Ma, Lulu; Shi, Gang; Lei, Sidong; Zhang, Yunhuai; Zhang, Shengtao; Vajtai, Robert; Ajayan, Pulickel M

    2013-09-09

    Micrometer-sized electrochemical capacitors have recently attracted attention due to their possible applications in micro-electronic devices. Here, a new approach to large-scale fabrication of high-capacitance, two-dimensional MoS2 film-based micro-supercapacitors is demonstrated via simple and low-cost spray painting of MoS2 nanosheets on Si/SiO2 chip and subsequent laser patterning. The obtained micro-supercapacitors are well defined by ten interdigitated electrodes (five electrodes per polarity) with 4.5 mm length, 820 μm wide for each electrode, 200 μm spacing between two electrodes and the thickness of electrode is ∼0.45 μm. The optimum MoS2 -based micro-supercapacitor exhibits excellent electrochemical performance for energy storage with aqueous electrolytes, with a high area capacitance of 8 mF cm(-2) (volumetric capacitance of 178 F cm(-3) ) and excellent cyclic performance, superior to reported graphene-based micro-supercapacitors. This strategy could provide a good opportunity to develop various micro-/nanosized energy storage devices to satisfy the requirements of portable, flexible, and transparent micro-electronic devices. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Rheological and tribological behaviour of lubricating oils containing platelet MoS2 nanoparticles

    Science.gov (United States)

    Wan, Qingming; Jin, Yi; Sun, Pengcheng; Ding, Yulong

    2014-05-01

    This work concerns rheological and frictional behaviour of lubricating oils containing platelet molybdenum disulfide (MoS2) nanoparticles (average diameter 50 nm; single layer thickness 3 nm). Stable nano-MoS2 lubricants were formulated and measured for their rheological behaviour and tribological performance. Rheological experiments showed that the nano-MoS2 oils were non-Newtonian following the Bingham plastic fluid model. The viscosity data fitted the classic Hinch-Leal (H-L) model if an agglomeration factor of 1.72 was introduced. Tribological experiments indicated that the use of MoS2 nanoparticles could enhance significantly the tribological performance of the base lubricating oil (reduced frictional coefficient, reduced surface wear and increased stability). Scanning electron microscopy, laser confocal microscope and x-ray energy dispersive spectroscopy analyses suggested that the reduced frictional coefficient and surface wear be associated with surface patching effects. Such patching effects were shown to depend on the concentration of MoS2 nanoparticles, and an effective patching required a concentration over approximately 1 wt%. The increased stability could be attributed to the enhanced heat transfer and lubricating oil film strength due to the presence of nanoparticles.

  13. MoS2 nanosheet functionalized with Cu nanoparticles and its application for glucose detection

    International Nuclear Information System (INIS)

    Huang, Jingwei; Dong, Zhengping; Li, Yanrong; Li, Jing; Tang, Weijie; Yang, Haidong; Wang, Jia; Bao, Yun; Jin, Jun; Li, Rong

    2013-01-01

    Graphical abstract: - Highlights: • First report on decorating MoS 2 nanosheet with Cu nanoparticles by chemical reduction. • Cu nanoparticles were uniformly decorated on MoS 2 nanosheet. • Glucose biosensor based on copper nanoparticles-MoS 2 nanosheet hybrid is fabricated. • The biosensor exhibits high sensitivity. - Abstract: For the first time, Cu nanoparticles were evenly decorated on MoS 2 nanosheet by chemical reduction. The as-prepared Cu-MoS 2 hybrid was characterized by atomic force microscope (AFM), Raman spectroscopy, transmission electron microscopy (TEM), X-ray diffraction (XRD) and then used to fabricate a non-enzymatic glucose sensor. The performance of our sensor was investigated by cyclic voltammetry and amperometric measurement in alkaline media. Electrochemical tests showed that Cu-MoS 2 hybrid exhibited synergistic electrocatalytic activity on the oxidation of glucose with a high sensitivity of 1055 μA mM −1 cm −2 and a linear range up to 4 mM

  14. Fabrication of multilayered-sandwich MoS2/c architectures with advanced lithium storage properties

    International Nuclear Information System (INIS)

    Du, Jinlong; Yang, Zhanxu; Wang, Xiaorong; Qi, Chengyuan; Li, Yue; Mao, Wei; Qiao, Haiyan; Yu, ZongBao; Ren, Tieqiang; Qiao, Qingdong

    2017-01-01

    MoS 2 /C nanocomposite with a multilayered sandwich structure based on few-layered MoS 2 and carbon layers in an alternating sequence, was successfully synthesized through a one-step synchronized carbonization and sulfuration method. The hybrids were characterized by X-ray diffraction, High-resolution transmission electron microscopy, Atomic force microscope, Raman and X-ray photoelectron spectroscopic methods. The as-obtained MoS 2 /C nanocomposite applied as lithium-ion batteries anode materials, showed a high initial discharge and charge capacities of 1678.5 and 1386.0 mAh g −1 , respectively. High specific reversible capacity is maintained at fast C rates, e.g., 1390, 1223, 1017, 566, and 450 mAh g −1 at 0.1C, 0.6C, 3C, 10C and 20C, respectively. The good performance of the composite is mainly attributed to the unique few layered composite architectures, which can improve ion/electron transportation and prevent aggregation and restacking during the lithiation/delithiation process.

  15. Evidence of indirect gap in monolayer WSe2

    KAUST Repository

    Hsu, Wei-Ting

    2017-10-09

    Monolayer transition metal dichalcogenides, such as MoS2 and WSe2, have been known as direct gap semiconductors and emerged as new optically active materials for novel device applications. Here we reexamine their direct gap properties by investigating the strain effects on the photoluminescence of monolayer MoS2 and WSe2. Instead of applying stress, we investigate the strain effects by imaging the direct exciton populations in monolayer WSe2–MoS2 and MoSe2–WSe2 lateral heterojunctions with inherent strain inhomogeneity. We find that unstrained monolayer WSe2 is actually an indirect gap material, as manifested in the observed photoluminescence intensity–energy correlation, from which the difference between the direct and indirect optical gaps can be extracted by analyzing the exciton thermal populations. Our findings combined with the estimated exciton binding energy further indicate that monolayer WSe2 exhibits an indirect quasiparticle gap, which has to be reconsidered in further studies for its fundamental properties and device applications.

  16. Proton and hydrogen transport through two-dimensional monolayers

    International Nuclear Information System (INIS)

    Seel, Max; Pandey, Ravindra

    2016-01-01

    Diffusion of protons and hydrogen atoms in representative two-dimensional materials is investigated. Specifically, density functional calculations were performed on graphene, hexagonal boron nitride (h-BN), phosphorene, silicene, and molybdenum disulfide (MoS 2 ) monolayers to study the surface interaction and penetration barriers for protons and hydrogen atoms employing finite cluster models. The calculated barrier heights correlate approximately with the size of the opening formed by the three-fold open sites in the monolayers considered. They range from 1.56 eV (proton) and 4.61 eV (H) for graphene to 0.12 eV (proton) and 0.20 eV (H) for silicene. The results indicate that only graphene and h-BN monolayers have the potential for membranes with high selective permeability. The MoS 2 monolayer behaves differently: protons and H atoms become trapped between the outer S layers in the Mo plane in a well with a depth of 1.56 eV (proton) and 1.5 eV (H atom), possibly explaining why no proton transport was detected, suggesting MoS 2 as a hydrogen storage material instead. For graphene and h-BN, off-center proton penetration reduces the barrier to 1.38 eV for graphene and 0.11 eV for h-BN. Furthermore, Pt acting as a substrate was found to have a negligible effect on the barrier height. In defective graphene, the smallest barrier for proton diffusion (1.05 eV) is found for an oxygen-terminated defect. Therefore, it seems more likely that thermal protons can penetrate a monolayer of h-BN but not graphene and defects are necessary to facilitate the proton transport in graphene. (paper)

  17. Proton and hydrogen transport through two-dimensional monolayers

    Science.gov (United States)

    Seel, Max; Pandey, Ravindra

    2016-06-01

    Diffusion of protons and hydrogen atoms in representative two-dimensional materials is investigated. Specifically, density functional calculations were performed on graphene, hexagonal boron nitride (h-BN), phosphorene, silicene, and molybdenum disulfide (MoS2) monolayers to study the surface interaction and penetration barriers for protons and hydrogen atoms employing finite cluster models. The calculated barrier heights correlate approximately with the size of the opening formed by the three-fold open sites in the monolayers considered. They range from 1.56 eV (proton) and 4.61 eV (H) for graphene to 0.12 eV (proton) and 0.20 eV (H) for silicene. The results indicate that only graphene and h-BN monolayers have the potential for membranes with high selective permeability. The MoS2 monolayer behaves differently: protons and H atoms become trapped between the outer S layers in the Mo plane in a well with a depth of 1.56 eV (proton) and 1.5 eV (H atom), possibly explaining why no proton transport was detected, suggesting MoS2 as a hydrogen storage material instead. For graphene and h-BN, off-center proton penetration reduces the barrier to 1.38 eV for graphene and 0.11 eV for h-BN. Furthermore, Pt acting as a substrate was found to have a negligible effect on the barrier height. In defective graphene, the smallest barrier for proton diffusion (1.05 eV) is found for an oxygen-terminated defect. Therefore, it seems more likely that thermal protons can penetrate a monolayer of h-BN but not graphene and defects are necessary to facilitate the proton transport in graphene.

  18. Pressure-dependent optical and vibrational properties of monolayer molybdenum disulfide

    KAUST Repository

    Nayak, Avinash P.

    2015-01-14

    Controlling the band gap by tuning the lattice structure through pressure engineering is a relatively new route for tailoring the optoelectronic properties of two-dimensional (2D) materials. Here, we investigate the electronic structure and lattice vibrational dynamics of the distorted monolayer 1T-MoS2 (1T′) and the monolayer 2H-MoS2 via a diamond anvil cell (DAC) and density functional theory (DFT) calculations. The direct optical band gap of the monolayer 2H-MoS2 increases by 11.7% from 1.85 to 2.08 eV, which is the highest reported for a 2D transition metal dichalcogenide (TMD) material. DFT calculations reveal a subsequent decrease in the band gap with eventual metallization of the monolayer 2H-MoS2, an overall complex structure-property relation due to the rich band structure of MoS2. Remarkably, the metastable 1T′-MoS2 metallic state remains invariant with pressure, with the J2, A1g, and E2g modes becoming dominant at high pressures. This substantial reversible tunability of the electronic and vibrational properties of the MoS2 family can be extended to other 2D TMDs. These results present an important advance toward controlling the band structure and optoelectronic properties of monolayer MoS2 via pressure, which has vital implications for enhanced device applications.

  19. Direct Growth of High Mobility and Low-Noise Lateral MoS2 -Graphene Heterostructure Electronics.

    Science.gov (United States)

    Behranginia, Amirhossein; Yasaei, Poya; Majee, Arnab K; Sangwan, Vinod K; Long, Fei; Foss, Cameron J; Foroozan, Tara; Fuladi, Shadi; Hantehzadeh, Mohammad Reza; Shahbazian-Yassar, Reza; Hersam, Mark C; Aksamija, Zlatan; Salehi-Khojin, Amin

    2017-08-01

    Reliable fabrication of lateral interfaces between conducting and semiconducting 2D materials is considered a major technological advancement for the next generation of highly packed all-2D electronic circuitry. This study employs seed-free consecutive chemical vapor deposition processes to synthesize high-quality lateral MoS 2 -graphene heterostructures and comprehensively investigated their electronic properties through a combination of various experimental techniques and theoretical modeling. These results show that the MoS 2 -graphene devices exhibit an order of magnitude higher mobility and lower noise metrics compared to conventional MoS 2 -metal devices as a result of energy band rearrangement and smaller Schottky barrier height at the contacts. These findings suggest that MoS 2 -graphene in-plane heterostructures are promising materials for the scale-up of all-2D circuitry with superlative electrical performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Half-metallic ferromagnetism prediction in MoS2-based two-dimensional superlattice from first-principles

    Science.gov (United States)

    Wen, Yan-Ni; Gao, Peng-Fei; Xia, Ming-Gang; Zhang, Sheng-Li

    2018-03-01

    Half-metallic ferromagnetism (HMFM) has great potential application in spin filter. However, it is extremely rare, especially in two-dimensional (2D) materials. At present, 2D materials have drawn international interest in spintronic devices. Here, we use ab initio density functional theory (DFT) calculations to study the structural stability and electrical and magnetic properties of the MoS2-based 2D superlattice formed by inserting graphene hexagonal ring in 6 × 6 × 1 MoS2 supercell. Two kinds of structures with hexagonal carbon ring were predicted with structural stability and were shown HMFM. The two structures combine the spin transport capacity of graphene with the magnetism of the defective 2D MoS2. And they have strong covalent bonding between the C and S or Mo atoms near the interface. This work is very useful to help us to design reasonable MoS2-based spin filter.

  1. 2D nanosheet molybdenum disulphide (MoS2) modified electrodes explored towards the hydrogen evolution reaction

    Science.gov (United States)

    Rowley-Neale, Samuel J.; Brownson, Dale A. C.; Smith, Graham C.; Sawtell, David A. G.; Kelly, Peter J.; Banks, Craig E.

    2015-10-01

    We explore the use of two-dimensional (2D) MoS2 nanosheets as an electrocatalyst for the Hydrogen Evolution Reaction (HER). Using four commonly employed commercially available carbon based electrode support materials, namely edge plane pyrolytic graphite (EPPG), glassy carbon (GC), boron-doped diamond (BDD) and screen-printed graphite electrodes (SPE), we critically evaluate the reported electrocatalytic performance of unmodified and MoS2 modified electrodes towards the HER. Surprisingly, current literature focuses almost exclusively on the use of GC as an underlying support electrode upon which HER materials are immobilised. 2D MoS2 nanosheet modified electrodes are found to exhibit a coverage dependant electrocatalytic effect towards the HER. Modification of the supporting electrode surface with an optimal mass of 2D MoS2 nanosheets results in a lowering of the HER onset potential by ca. 0.33, 0.57, 0.29 and 0.31 V at EPPG, GC, SPE and BDD electrodes compared to their unmodified counterparts respectively. The lowering of the HER onset potential is associated with each supporting electrode's individual electron transfer kinetics/properties and is thus distinct. The effect of MoS2 coverage is also explored. We reveal that its ability to catalyse the HER is dependent on the mass deposited until a critical mass of 2D MoS2 nanosheets is achieved, after which its electrocatalytic benefits and/or surface stability curtail. The active surface site density and turn over frequency for the 2D MoS2 nanosheets is determined, characterised and found to be dependent on both the coverage of 2D MoS2 nanosheets and the underlying/supporting substrate. This work is essential for those designing, fabricating and consequently electrochemically testing 2D nanosheet materials for the HER.We explore the use of two-dimensional (2D) MoS2 nanosheets as an electrocatalyst for the Hydrogen Evolution Reaction (HER). Using four commonly employed commercially available carbon based electrode support materials, namely edge plane pyrolytic graphite (EPPG), glassy carbon (GC), boron-doped diamond (BDD) and screen-printed graphite electrodes (SPE), we critically evaluate the reported electrocatalytic performance of unmodified and MoS2 modified electrodes towards the HER. Surprisingly, current literature focuses almost exclusively on the use of GC as an underlying support electrode upon which HER materials are immobilised. 2D MoS2 nanosheet modified electrodes are found to exhibit a coverage dependant electrocatalytic effect towards the HER. Modification of the supporting electrode surface with an optimal mass of 2D MoS2 nanosheets results in a lowering of the HER onset potential by ca. 0.33, 0.57, 0.29 and 0.31 V at EPPG, GC, SPE and BDD electrodes compared to their unmodified counterparts respectively. The lowering of the HER onset potential is associated with each supporting electrode's individual electron transfer kinetics/properties and is thus distinct. The effect of MoS2 coverage is also explored. We reveal that its ability to catalyse the HER is dependent on the mass deposited until a critical mass of 2D MoS2 nanosheets is achieved, after which its electrocatalytic benefits and/or surface stability curtail. The active surface site density and turn over frequency for the 2D MoS2 nanosheets is determined, characterised and found to be dependent on both the coverage of 2D MoS2 nanosheets and the underlying/supporting substrate. This work is essential for those designing, fabricating and consequently electrochemically testing 2D nanosheet materials for the HER. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr05164a|ART

  2. Self-assembled MoS2–carbon nanostructures: influence of nanostructuring and carbon on lithium battery performance

    KAUST Repository

    Das, Shyamal K.; Mallavajula, Rajesh; Jayaprakash, Navaneedhakrishnan; Archer, Lynden A.

    2012-01-01

    Composites of MoS 2 and amorphous carbon are grown and self-assembled into hierarchical nanostructures via a hydrothermal method. Application of the composites as high-energy electrodes for rechargeable lithium-ion batteries is investigated

  3. Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayer

    DEFF Research Database (Denmark)

    Drueppel, Matthias; Deilmann, Thorsten; Krueger, Peter

    2017-01-01

    show by ab initio many-body theory that the negative trion (A-) splits into three excitations, with both inter-and intra-valley character, while the positive counterpart (A+) consists of only one inter-valley excitation. Furthermore, the substrate enhances the screening, which renormalizes both band...... gap and exciton as well as the trion-binding energies. We verify that these two effects do not perfectly cancel each other, but lead to redshifts of the excitation energies for three different substrates ranging from a wide-bandgap semiconductor up to a metal. Our results explain recently found...

  4. Multifunctional Architectures Constructing of PANI Nanoneedle Arrays on MoS2 Thin Nanosheets for High-Energy Supercapacitors.

    Science.gov (United States)

    Zhu, Jixin; Sun, Wenping; Yang, Dan; Zhang, Yu; Hoon, Hng Huey; Zhang, Hua; Yan, Qingyu

    2015-09-02

    Multifunctional MoS2 @PANI (polyaniline) pseudo-supercapacitor electrodes consisting of MoS2 thin nanosheets and PANI nanoarrays are fabricated via a large-scale approach. The superior capacitance retention is retained up to 91% after 4000 cycles and a high energy density of 106 Wh kg(-1) is delivered at a power density of 106 kW kg(-1) . © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Few-Layer MoS2-Organic Thin-Film Hybrid Complementary Inverter Pixel Fabricated on a Glass Substrate.

    Science.gov (United States)

    Lee, Hee Sung; Shin, Jae Min; Jeon, Pyo Jin; Lee, Junyeong; Kim, Jin Sung; Hwang, Hyun Chul; Park, Eunyoung; Yoon, Woojin; Ju, Sang-Yong; Im, Seongil

    2015-05-13

    Few-layer MoS2-organic thin-film hybrid complementary inverters demonstrate a great deal of device performance with a decent voltage gain of ≈12, a few hundred pW power consumption, and 480 Hz switching speed. As fabricated on glass, this hybrid CMOS inverter operates as a light-detecting pixel as well, using a thin MoS2 channel. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Self-assembled MoS2–carbon nanostructures: influence of nanostructuring and carbon on lithium battery performance

    KAUST Repository

    Das, Shyamal K.

    2012-01-01

    Composites of MoS 2 and amorphous carbon are grown and self-assembled into hierarchical nanostructures via a hydrothermal method. Application of the composites as high-energy electrodes for rechargeable lithium-ion batteries is investigated. The critical roles of nanostructuring of MoS 2 and carbon composition on lithium-ion battery performance are highlighted. © 2012 The Royal Society of Chemistry.

  7. Controlling magnetism of MoS2 sheets by embedding transition-metal atoms and applying strain.

    Science.gov (United States)

    Zhou, Yungang; Su, Qiulei; Wang, Zhiguo; Deng, Huiqiu; Zu, Xiaotao

    2013-11-14

    Prompted by recent experimental achievement of transition metal (TM) atoms substituted in MoS2 nanostructures during growth or saturating existing vacancies (Sun et al., ACS Nano, 2013, 7, 3506; Deepak et al., J. Am. Chem. Soc., 2007, 129, 12549), we explored, via density functional theory, the magnetic properties of a series of 3d TM atoms substituted in a MoS2 sheet, and found that Mn, Fe, Co, Ni, Cu and Zn substitutions can induce magnetism in the MoS2 sheet. The localizing unpaired 3d electrons of TM atoms respond to the introduction of a magnetic moment. Depending on the species of TM atoms, the substituted MoS2 sheet can be a metal, semiconductor or half-metal. Remarkably, the applied elastic strain can be used to control the strength of the spin-splitting of TM-3d orbitals, leading to an effective manipulation of the magnetism of the TM-substituted MoS2 sheet. We found that the magnetic moment of the Mn- and Fe-substituted MoS2 sheets can monotonously increase with the increase of tensile strain, while the magnetic moment of Co-, Ni-, Cu- and Zn-substituted MoS2 sheets initially increases and then decreases with the increase of tensile strain. An instructive mechanism was proposed to qualitatively explain the variation of magnetism with elastic strain. The finding of the magnetoelastic effect here is technologically important for the fabrication of strain-driven spin devices on MoS2 nanostructures, which allows us to go beyond the current scope limited to the spin devices within graphene and BN-based nanostructures.

  8. Electronic characteristics of p-type transparent SnO monolayer with high carrier mobility

    International Nuclear Information System (INIS)

    Du, Juan; Xia, Congxin; Liu, Yaming; Li, Xueping; Peng, Yuting; Wei, Shuyi

    2017-01-01

    Graphical abstract: SnO monolayer is a p-type transparent semiconducting oxide with high hole mobility (∼641 cm 2 V −1 s −1 ), which is much higher than that of MoS 2 monolayer, which indicate that it can be a promising candidate for high-performance nanoelectronic devices. Display Omitted - Highlights: • SnO monolayer is a p-type transparent semiconducting oxide. • The transparent properties can be still maintained under the strain 8%. • It has a high hole mobility (∼641 cm 2 V −1 s −1 ), which is higher than that of MoS 2 monolayer. - Abstract: More recently, two-dimensional (2D) SnO nanosheets are attaching great attention due to its excellent carrier mobility and transparent characteristics. Here, the stability, electronic structures and carrier mobility of SnO monolayer are investigated by using first-principles calculations. The calculations of the phonon dispersion spectra indicate that SnO monolayer is dynamically stable. Moreover, the band gap values are decreased from 3.93 eV to 2.75 eV when the tensile strain is applied from 0% to 12%. Interestingly, SnO monolayer is a p-type transparent semiconducting oxide with hole mobility of 641 cm 2 V −1 s −1 , which is much higher than that of MoS 2 monolayer. These findings make SnO monolayer becomes a promising 2D material for applications in nanoelectronic devices.

  9. Mechanically delaminated few layered MoS2 nanosheets based high performance wire type solid-state symmetric supercapacitors

    Science.gov (United States)

    Krishnamoorthy, Karthikeyan; Pazhamalai, Parthiban; Veerasubramani, Ganesh Kumar; Kim, Sang Jae

    2016-07-01

    Two dimensional nanostructures are increasingly used as electrode materials in flexible supercapacitors for portable electronic applications. Herein, we demonstrated a ball milling approach for achieving few layered molybdenum disulfide (MoS2) via exfoliation from their bulk. Physico-chemical characterizations such as X-ray diffraction, field emission scanning electron microscope, and laser Raman analyses confirmed the occurrence of exfoliated MoS2 sheets with few layers from their bulk via ball milling process. MoS2 based wire type solid state supercapacitors (WSCs) are fabricated and examined using cyclic voltammetry (CV), electrochemical impedance spectroscopy, and galvanostatic charge discharge (CD) measurements. The presence of rectangular shaped CV curves and symmetric triangular shaped CD profiles suggested the mechanism of charge storage in MoS2 WSC is due to the formation of electrochemical double layer capacitance. The MoS2 WSC device delivered a specific capacitance of 119 μF cm-1, and energy density of 8.1 nW h cm-1 with better capacitance retention of about 89.36% over 2500 cycles, which ensures the use of the ball milled MoS2 for electrochemical energy storage devices.

  10. Enhanced Performance of MoS2 Photodetectors by Inserting an ALD-Processed TiO2 Interlayer

    KAUST Repository

    Pak, Yusin; Park, Woojin; Mitra, Somak; Devi, Assa Aravindh Sasikala; Loganathan, Kalaivanan; Kumaresan, Yogeenth; Kim, Yonghun; Cho, Byungjin; Jung, Gun-Young; Hussain, Muhammad Mustafa; Roqan, Iman S.

    2017-01-01

    2D molybdenum disulfide (MoS2) possesses excellent optoelectronic properties that make it a promising candidate for use in high-performance photodetectors. Yet, to meet the growing demand for practical and reliable MoS2 photodetectors, the critical issue of defect introduction to the interface between the exfoliated MoS2 and the electrode metal during fabrication must be addressed, because defects deteriorate the device performance. To achieve this objective, the use of an atomic layer-deposited TiO2 interlayer (between exfoliated MoS2 and electrode) is reported in this work, for the first time, to enhance the performance of MoS2 photodetectors. The TiO2 interlayer is inserted through 20 atomic layer deposition cycles before depositing the electrode metal on MoS2/SiO2 substrate, leading to significantly enhanced photoresponsivity and response speed. These results pave the way for practical applications and provide a novel direction for optimizing the interlayer material.

  11. Low-frequency 1/f noise in MoS2 transistors: Relative contributions of the channel and contacts

    International Nuclear Information System (INIS)

    Renteria, J.; Jiang, C.; Samnakay, R.; Rumyantsev, S. L.; Goli, P.; Balandin, A. A.; Shur, M. S.

    2014-01-01

    We report on the results of the low-frequency (1/f, where f is frequency) noise measurements in MoS 2 field-effect transistors revealing the relative contributions of the MoS 2 channel and Ti/Au contacts to the overall noise level. The investigation of the 1/f noise was performed for both as fabricated and aged transistors. It was established that the McWhorter model of the carrier number fluctuations describes well the 1/f noise in MoS 2 transistors, in contrast to what is observed in graphene devices. The trap densities extracted from the 1/f noise data for MoS 2 transistors, are 2 × 10 19  eV −1 cm −3 and 2.5 × 10 20  eV −1 cm −3 for the as fabricated and aged devices, respectively. It was found that the increase in the noise level of the aged MoS 2 transistors is due to the channel rather than the contact degradation. The obtained results are important for the proposed electronic applications of MoS 2 and other van der Waals materials

  12. Low-frequency 1/f noise in MoS2 transistors: Relative contributions of the channel and contacts

    Science.gov (United States)

    Renteria, J.; Samnakay, R.; Rumyantsev, S. L.; Jiang, C.; Goli, P.; Shur, M. S.; Balandin, A. A.

    2014-04-01

    We report on the results of the low-frequency (1/f, where f is frequency) noise measurements in MoS2 field-effect transistors revealing the relative contributions of the MoS2 channel and Ti/Au contacts to the overall noise level. The investigation of the 1/f noise was performed for both as fabricated and aged transistors. It was established that the McWhorter model of the carrier number fluctuations describes well the 1/f noise in MoS2 transistors, in contrast to what is observed in graphene devices. The trap densities extracted from the 1/f noise data for MoS2 transistors, are 2 × 1019 eV-1cm-3 and 2.5 × 1020 eV-1cm-3 for the as fabricated and aged devices, respectively. It was found that the increase in the noise level of the aged MoS2 transistors is due to the channel rather than the contact degradation. The obtained results are important for the proposed electronic applications of MoS2 and other van der Waals materials.

  13. Role of oxygen adsorption in modification of optical and surface electronic properties of MoS2

    Science.gov (United States)

    Shakya, Jyoti; Kumar, Sanjeev; Mohanty, Tanuja

    2018-04-01

    In this work, the effect of surface oxidation of molybdenum disulfide (MoS2) nanosheets induced by hydrogen peroxide (H2O2) on the work function and bandgap of MoS2 has been investigated for tuning its optical and electronic properties. Transmission electron microscopy studies reveal the existence of varying morphologies of few layers of MoS2 as well as quantum dots due to the different absorbing effects of two mixed solvents on MoS2. The X-ray diffraction, electron paramagnetic resonance, and Raman studies indicate the presence of physical as well as chemical adsorption of oxygen atoms in MoS2. The photoluminescence spectra show the tuning of bandgap arising from the passivation of trapping centers leading to radiative recombination of excitons. The value of work function obtained from scanning Kelvin probe microscopy of MoS2 in mixed solvents of H2O2 and N-methyl-2-pyrrolidone increases with an increase in the concentration of H2O2. A linear relationship could be established between H2O2 content in mixed solvent and measured values of work function. This work gives the alternative route towards the commercial use of defect engineered transition metal dichalcogenide materials in diverse fields.

  14. Theoretical prediction of high electron mobility in multilayer MoS2 heterostructured with MoSe2

    Science.gov (United States)

    Ji, Liping; Shi, Juan; Zhang, Z. Y.; Wang, Jun; Zhang, Jiachi; Tao, Chunlan; Cao, Haining

    2018-01-01

    Two-dimensional (2D) MoS2 has been considered to be one of the most promising semiconducting materials with the potential to be used in novel nanoelectronic devices. High carrier mobility in the semiconductor is necessary to guarantee a low power dissipation and a high switch speed of the corresponding electronic device. Strain engineering in 2D materials acts as an important approach to tailor and design their electronic and carrier transport properties. In this work, strain is introduced to MoS2 through perpendicularly building van der Waals heterostructures MoSe2-MoS2. Our first-principles calculations demonstrate that acoustic-phonon-limited electron mobility can be significantly enhanced in the heterostructures compared with that in pure multilayer MoS2. It is found that the effective electron mass and the deformation potential constant are relatively smaller in the heterostructures, which is responsible for the enhancement in the electron mobility. Overall, the electron mobility in the heterostructures is about 1.5 times or more of that in pure multilayer MoS2 with the same number of layers for the studied structures. These results indicate that MoSe2 is an excellent material to be heterostructured with multilayer MoS2 to improve the charge transport property.

  15. Dual functional MoS2/graphene interlayer as an efficient polysulfide barrier for advanced lithium-sulfur batteries

    International Nuclear Information System (INIS)

    Guo, Pengqian; Liu, Dequan; Liu, Zhengjiao; Shang, Xiaonan; Liu, Qiming; He, Deyan

    2017-01-01

    Highlights: •Dual functional MoS 2 /graphene interlayer was first used as an efficient polysulfide-trapping shield for lithium-sulfur batteries. •MoS 2 /graphene interlayer shows strong chemical interactions with LiPSs. •MoS 2 /graphene interlayer forms a 3D network to facilitate electron and ion transfer during the discharge-charge processes. •The resultant lithium-sulfur batteries exhibit a superior rate capacity and improved cycling capacity. -- Abstract: A dual functional interlayer consisted of composited two-dimensional MoS 2 and graphene has been developed as an efficient polysulfide barrier for lithium-sulfur batteries (LSBs). With such a configuration, LSBs show a superior rate capacity and improved cycling capacity. The excellent electrochemical performance can be attributed to the strong bonding interactions between the MoS 2 /graphene interlayer and the formed lithium polysulfides (LiPSs) as well as the good electrical conductivity of the MoS 2 /graphene composite. The MoS 2 /graphene interlayer can physically block LiPSs by the graphene nanosheets and chemically suppress the dissolution of LiPSs by the polar MoS 2 nanoflowers. Such a dual functional interlayer further provides a good contact with the surface of the sulfur cathode, acts as an upper current collector and greatly improves the sulfur utilization and the rate capability of LSBs.

  16. The origin of the enhanced performance of nitrogen-doped MoS_2 in lithium ion batteries

    International Nuclear Information System (INIS)

    Liu, Qiuhong; Weijun, Xia; Wu, Zhenjun; Huo, Jia; Liu, Dongdong; Wang, Shuangyin; Wang, Qiang

    2016-01-01

    MoS_2 with a similar layered structure to graphene has been widely applied in various areas including lithium ion batteries. However, low conductivity, capacity fading and poor rate performance are still the main challenges for MoS_2 anode materials. In this work, for the first time, we prepared nitrogen-doped MoS_2 (N-MoS_2) nanosheets through a simple two-step method involving the preparation of MoS_2 with defects by the hydrothermal method, followed by sintering in a NH_3 atmosphere. Our electrochemical characterizations and density functional theory calculations demonstrated that nitrogen doping could enhance the electron conductivity and showed higher specific capacity than pristine MoS_2 as anode materials of lithium ion batteries, which can be attributed to the faster transportation of electrons and ions because of nitrogen doping. This work helps us understand the origin of the enhanced performance of N-doped MoS_2 in lithium ion batteries. (paper)

  17. Modification of the optoelectronic properties of two-dimensional MoS2 crystals by ultraviolet-ozone treatment

    Science.gov (United States)

    Yang, Hae In; Park, Seonyoung; Choi, Woong

    2018-06-01

    We report the modification of the optoelectronic properties of mechanically-exfoliated single layer MoS2 by ultraviolet-ozone exposure. Photoluminescence emission of pristine MoS2 monotonically decreased and eventually quenched as ultraviolet-ozone exposure time increased from 0 to 10 min. The reduction of photoluminescence emission accompanied reduction of Raman modes, suggesting structural degradation in ultraviolet-ozone exposed MoS2. Analysis with X-ray photoelectron spectroscopy revealed that the formation of Ssbnd O and Mosbnd O bonding increases with ultraviolet-ozone exposure time. Measurement of electrical transport properties of MoS2 in a bottom-gate thin-film transistor configuration suggested the presence of insulating MoO3 after ultraviolet-ozone exposure. These results demonstrate that ultraviolet-ozone exposure can significantly influence the optoelectronic properties of single layer MoS2, providing important implications on the application of MoS2 and other two-dimensional materials into optoelectronic devices.

  18. Enhanced Performance of MoS2 Photodetectors by Inserting an ALD-Processed TiO2 Interlayer

    KAUST Repository

    Pak, Yusin

    2017-12-05

    2D molybdenum disulfide (MoS2) possesses excellent optoelectronic properties that make it a promising candidate for use in high-performance photodetectors. Yet, to meet the growing demand for practical and reliable MoS2 photodetectors, the critical issue of defect introduction to the interface between the exfoliated MoS2 and the electrode metal during fabrication must be addressed, because defects deteriorate the device performance. To achieve this objective, the use of an atomic layer-deposited TiO2 interlayer (between exfoliated MoS2 and electrode) is reported in this work, for the first time, to enhance the performance of MoS2 photodetectors. The TiO2 interlayer is inserted through 20 atomic layer deposition cycles before depositing the electrode metal on MoS2/SiO2 substrate, leading to significantly enhanced photoresponsivity and response speed. These results pave the way for practical applications and provide a novel direction for optimizing the interlayer material.

  19. Fabrication of a temperature-responsive and recyclable MoS2 nanocatalyst through composting with poly (N-isopropylacrylamide)

    Science.gov (United States)

    Liu, Yan; Chen, Pengpeng; Nie, Wangyan; Zhou, Yifeng

    2018-04-01

    A temperature-responsive, recyclable nanocatalyst was fabricated by composting the exfoliated molybdenum disulfide (MoS2) nanosheets with poly (N-isopropylacry lamide) (PNIPAM). The structure and morphology of MoS2/PNIPAM nanocatalyst was fully characterized by Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron spectroscopy (XPS), Thermogravimetry analysis (TGA), Scanning electron microscope (SEM) and Transmission electron microscopy (TEM). The temperature-responsive properties of the MoS2/PNIPAM nanocatalyst were confirmed by Dynamic Light Scattering (DLS) and Ultraviolet-visible ((UV-vis)) absorption spectroscopy. The catalytic activities of the MoS2/PNIPAM nanocatalyst were studied using the reduction reaction of 4-nitrophenol (4-NP) to 4-aminophenol (4-AP) as the model reaction. Results showed that the catalytic activity of the MoS2/PNIPAM nanocatalyst could be regulated by temperature. Furthermore, when the temperature went higher than the low critical solution temperature (LCST) of PNIPAM, the MoS2/PNIPAM nanocatalyst tended to aggregated to form bulk materials from homogeneous suspension.

  20. Analysis of electron beam damage of exfoliated MoS2 sheets and quantitative HAADF-STEM imaging

    International Nuclear Information System (INIS)

    Garcia, Alejandra; Raya, Andres M.; Mariscal, Marcelo M.; Esparza, Rodrigo; Herrera, Miriam; Molina, Sergio I.; Scavello, Giovanni; Galindo, Pedro L.; Jose-Yacaman, Miguel; Ponce, Arturo

    2014-01-01

    In this work we examined MoS 2 sheets by aberration-corrected scanning transmission electron microscopy (STEM) at three different energies: 80, 120 and 200 kV. Structural damage of the MoS 2 sheets has been controlled at 80 kV according a theoretical calculation based on the inelastic scattering of the electrons involved in the interaction electron–matter. The threshold energy for the MoS 2 material has been found and experimentally verified in the microscope. At energies higher than the energy threshold we show surface and edge defects produced by the electron beam irradiation. Quantitative analysis at atomic level in the images obtained at 80 kV has been performed using the experimental images and via STEM simulations using SICSTEM software to determine the exact number of MoS 2 layers. - Highlights: • MoS 2 sheets were exfoliated by using hydrogen gas flow to separate the MoS 2 layers. • The optimum energy to avoid structural damage was calculated. • Cs-corrected STEM imaging was used to obtain atomic resolution images. • Three energies were used in STEM imaging: 80, 120 and 200 kV. • A quantitative method for determining the number of layers has been applied

  1. Resistive switching effect of N-doped MoS2-PVP nanocomposites films for nonvolatile memory devices

    Science.gov (United States)

    Wu, Zijin; Wang, Tongtong; Sun, Changqi; Liu, Peitao; Xia, Baorui; Zhang, Jingyan; Liu, Yonggang; Gao, Daqiang

    2017-12-01

    Resistive memory technology is very promising in the field of semiconductor memory devices. According to Liu et al, MoS2-PVP nanocomposite can be used as an active layer material for resistive memory devices due to its bipolar resistive switching behavior. Recent studies have also indicated that the doping of N element can reduce the band gap of MoS2 nanosheets, which is conducive to improving the conductivity of the material. Therefore, in this paper, we prepared N-doped MoS2 nanosheets and then fabricated N-doped MoS2-PVP nanocomposite films by spin coating. Finally, the resistive memory [C. Tan et al., Chem. Soc. Rev. 44, 2615 (2015)], device with ITO/N-doped MoS2-PVP/Pt structure was fabricated. Study on the I-V characteristics shows that the device has excellent resistance switching effect. It is worth mentioning that our device possesses a threshold voltage of 0.75 V, which is much better than 3.5 V reported previously for the undoped counterparts. The above research shows that N-doped MoS2-PVP nanocomposite films can be used as the active layer of resistive switching memory devices, and will make the devices have better performance.

  2. Theoretical study of thermoelectric properties of few-layer MoS2 and WSe2.

    Science.gov (United States)

    Huang, Wen; Luo, Xin; Gan, Chee Kwan; Quek, Su Ying; Liang, Gengchiau

    2014-06-14

    Molybdenum disulfide (MoS2) and tungsten diselenide (WSe2) are prototypical layered two-dimensional transition metal dichalcogenide materials, with each layer consisting of three atomic planes. We refer to each layer as a trilayer (TL). We study the thermoelectric properties of 1-4TL MoS2 and WSe2 using a ballistic transport approach based on the electronic band structures and phonon dispersions obtained from first-principles calculations. Our results show that the thickness dependence of the thermoelectric properties is different under n-type and p-type doping conditions. Defining ZT1st peak as the first peak in the thermoelectric figure of merit ZT as doping levels increase from zero at 300 K, we found that ZT1st peak decreases as the number of layers increases for MoS2, with the exception of 2TL in n-type doping, which has a slightly higher value than 1TL. However, for WSe2, 2TL has the largest ZT1st peak in both n-type and p-type doping, with a ZT1st peak value larger than 1 for n-type WSe2. At high temperatures (T > 300 K), ZT1st peak dramatically increases when the temperature increases, especially for n-type doping. The ZT1st peak of n-type 1TL-MoS2 and 2TL-WSe2 can reach 1.6 and 2.1, respectively.

  3. Rapid water disinfection using vertically aligned MoS_2 nanofilms and visible light

    International Nuclear Information System (INIS)

    Liu, Chong; Kong, Desheng; Hsu, Po-Chun; Yuan, Hongtao; Lee, Hyun-Wook

    2016-01-01

    Here, solar energy is readily available in most climates and can be used for water purification. However, solar disinfection of drinking water (SODIS) mostly relies on ultraviolet light, which represents only 4% of total solar energy, and this leads to slow treatment speed. The development of new materials that can harvest visible light for water disinfection, and speed up solar water purification, is therefore highly desirable. Here, we show that few-layered vertically aligned MoS_2 (FLV-MoS_2) films can be used to harvest the whole spectrum of visible light (~ 50% of solar energy) and achieve highly efficient water disinfection. The bandgap of MoS_2 was increased from 1.3 eV to 1.55 eV by decreasing the domain size, which allowed the FLV-MoS_2 to generate reactive oxygen species (ROS) for bacterial inactivation in water. The FLV-MoS_2 showed ~15 times better log inactivation efficiency of indicator bacteria compared to bulk MoS_2, and much faster inactivation of bacteria under both visible light and sunlight illumination compared to widely used TiO_2. Moreover, by using a 5 nm copper film on top of the FLV-MoS_2 as a catalyst to facilitate electron-hole pair separation and promote the generation of ROS, the disinfection rate was further increased 6 fold. With our approach, we achieved water disinfection of >99.999% inactivation of bacteria in 20 minutes with a small amount of material (1.6 mg/L) under simulated visible light.

  4. Rapid water disinfection using vertically aligned MoS2 nanofilms and visible light

    International Nuclear Information System (INIS)

    Liu, Chong; Kong, Desheng; Hsu, Po-Chun; Yuan, Hongtao; Lee, Hyun-Wook

    2016-01-01

    In most climates, solar energy is readily available and can be used for water purification. But, solar disinfection of drinking water mostly relies on ultraviolet light, which represents only 4% of the total solar energy, and this leads to a slow treatment speed. Therefore, the development of new materials that can harvest visible light for water disinfection, and so speed up solar water purification, is highly desirable. Here we show that few-layered vertically aligned MoS_2 (FLV-MoS_2) films can be used to harvest the whole spectrum of visible light (~50% of solar energy) and achieve highly efficient water disinfection. The bandgap of MoS_2 was increased from 1.3 to 1.55 eV by decreasing the domain size, which allowed the FLV-MoS_2 to generate reactive oxygen species (ROS) for bacterial inactivation in the water. The FLV-MoS_2 showed a ~15 times better log inactivation efficiency of the indicator bacteria compared with that of bulk MoS_2, and a much faster inactivation of bacteria under both visible light and sunlight illumination compared with the widely used TiO_2. Moreover, by using a 5 nm copper film on top of the FLV-MoS_2 as a catalyst to facilitate electron–hole pair separation and promote the generation of ROS, the disinfection rate was increased a further sixfold. Here, we achieved water disinfection of >99.999% inactivation of bacteria in 20 min with a small amount of material (1.6 mg l–1) under simulated visible light.

  5. Role of hydrogen in the chemical vapor deposition growth of MoS2 atomic layers

    Science.gov (United States)

    Li, Xiao; Li, Xinming; Zang, Xiaobei; Zhu, Miao; He, Yijia; Wang, Kunlin; Xie, Dan; Zhu, Hongwei

    2015-04-01

    Hydrogen plays a crucial role in the chemical vapor deposition (CVD) growth of graphene. Here, we have revealed the roles of hydrogen in the two-step CVD growth of MoS2. Our study demonstrates that hydrogen acts as the following: (i) an inhibitor of the thermal-induced etching effect in the continuous film growth process; and (ii) a promoter of the desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 desulfurization reaction by decreasing the S/Mo atomic ratio and the oxidation reaction of the obtained MoSx (0 < x < 2) films. A high hydrogen content of more than 100% in argon forms nano-sized circle-like defects and damages the continuity and uniformity of the film. Continuous MoS2 films with a high crystallinity and a nearly perfect S/Mo atomic ratio were finally obtained after sulfurization annealing with a hydrogen content in the range of 20%-80%. This insightful understanding reveals the crucial roles of hydrogen in the CVD growth of MoS2 and paves the way for the controllable synthesis of two-dimensional materials. Electronic supplementary information (ESI) available: Low-magnification optical images; Raman spectra of 0% and 5% H2 samples; AFM characterization; Schematic of the film before and after sulfurization annealing; Schematic illustrations of two typical Raman-active phonon modes (E12g, A1g); Raman (mapping) spectra for 40% and 80% H2 samples before and after sulfurization annealing; PL spectra. See DOI: 10.1039/c5nr00904a

  6. Sulfur bonding in MoS2 and Co-Mo-S structures

    DEFF Research Database (Denmark)

    Byskov, Line Sjolte; Hammer, Bjørk; Nørskov, Jens Kehlet

    1997-01-01

    The structure and bonding in small MoS2 structures with and without Co is studied theoretically using self-consistent density functional theory with a non-local exchange-correlation energy. The structures model the catalysts used extensively in hydrotreating. We study in detail the structure...... study the energy required to form sulfur vacancies, which are believed to be the active sites for many hydrotreating reactions. The presence of Co atoms at the edges is shown to lead to a significant lowering of the metal-sulfur binding energy. This imposes an increase in the concentration of active...

  7. Hydrazine-Assisted Liquid Exfoliation of MoS2 for Catalytic Hydrodeoxygenation of 4-Methylphenol.

    Science.gov (United States)

    Liu, Guoliang; Ma, Hualong; Teixeira, Ivo; Sun, Zhenyu; Xia, Qineng; Hong, Xinlin; Tsang, Shik Chi Edman

    2016-02-24

    A simple but effective method to exfoliate bulk MoS2 in a range of solvents is presented for the preparation of colloid flakes consisted of one to a few molecular layers by application of ultrasonic treatment in N2 H4 . Their high yield in solution and exposure of more active surface sites allows the synthesis of corresponding solid catalysts with remarkably high activity in hydrodeoxygenation of 4-methylphenol and this method can also be applied to other two dimensional materials. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Magnetic edge states in MoS2 characterized using density-functional theory

    DEFF Research Database (Denmark)

    Vojvodic, Aleksandra; Hinnemann, B.; Nørskov, Jens Kehlet

    2009-01-01

    It is known that the edges of a two-dimensional slab of insulating MoS2 exhibit one-dimensional metallic edge states, the so-called "brim states." Here, we find from density-functional theory calculations that several edge structures, which are relevant for the hydrodesulfurization process......, are magnetic. The magnetism is an edge phenomenon associated with certain metallic edge states. Interestingly, we find that among the two low-index edges, only the S edge displays magnetism under hydrodesulfurization conditions. In addition, the implications of this on the catalytic activity are investigated...

  9. MoS2-Filled PEEK Composite as a Self-Lubricating Material for Aerospace Applications

    Science.gov (United States)

    Theiler, Geraldine; Gradt, Thomas

    2010-01-01

    At BAM, several projects were conducted in the past years dealing with the tribological properties of friction couples at cryogenic temperature and in vacuum environment. Promising candidates for vacuum application are MoS2-filled PEEK/PTFE composites, which showed a friction coefficient as low as 0.03 in high vacuum. To complete the tribological profile of these composites, further tests were performed in ultra-high vacuum (UHV) at room temperature. In this paper, friction and stick slip behavior, as well as outgassing characteristics during the test are presented.

  10. Continuous Ultra-Thin MOS2 Films Grown by Low-Temperature Physical Vapor Deposition (Postprint)

    Science.gov (United States)

    2014-07-01

    MoS2 target of 99.95% purity. The SiO2 and highly oriented pyrolitic graphite (HOPG) substrates were intro- duced via a vacuum load- lock and mounted on...im- mediately prior insertion into a sample vacuum load- lock . In this work, the samples were heated to 350 C and allowed to rotate at approximately...136805 (2010). 6H. Terrones, F. Lopez-Urias, and M. Terrones, Sci. Rep. 3(203), 1549 (2013). 7H. Li, Q. Zhang, C. C. R. Yap, B. K. Tay, T. H. T. Edwin

  11. Silicene on MoS2: role of the van der Waals interaction

    KAUST Repository

    Jiajie Zhu,

    2015-10-13

    We demonstrate for silicene on MoS2 substrate the limitations of the predictive power of first principles calculations based on van der Waals density functional theory. Only the optB86b-vdW functional is found to give reasonable agreement with experimental results on structural properties, while for all other investigated functionals the interlayer interaction is underestimated or the charge redistribution at the interface is not described correctly so that the predicted electronic structure is qualitatively wrong. © 2015 IOP Publishing Ltd.

  12. Structural transformation of MoO3 nanobelts into MoS2 nanotubes

    International Nuclear Information System (INIS)

    Deepak, Francis Leonard; Mayoral, Alvaro; Yacaman, Miguel Jose

    2009-01-01

    The structural transformation of MoO 3 nanobelts into MoS 2 nanotubes using a simple sulfur source has been reported. This transformation has been extensively investigated using electron microscopic and spectroscopic techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), and energy-dispersive X-ray analysis (SEM-EDAX and TEM-EDX). The method described in this report will serve as a generic route for the transformation of other oxide nanostructures into the chalcogenide nanostructures. (orig.)

  13. Characterization of the system MoS2 + C, HAADF vs Tem conventional

    International Nuclear Information System (INIS)

    Reza, C.; Cruz, G.; Santiago, P.; Rendon, L.

    2004-01-01

    A study is presented about the synthesis and characterization of unidimensional nano systems composed of MoS 2 and C with potential use as solid lubricant. The synthesis process was developed for the mold method, via thermal decomposition, which uses a film of nano porous aluminium oxide. Such systems were characterized by two analysis methods that involve Transmission Electron Microscopy, HRTEM (Conventional TEM) and HAADF (Z Contrast). The results obtained in the structural and morphological characterization were supplemented to determine the structure type obtained in the unidimensional systems. (Author)

  14. Remarkably enhanced photocatalytic hydrogen evolution over MoS2 nanosheets loaded on uniform CdS nanospheres

    Science.gov (United States)

    Chai, Bo; Xu, Mengqiu; Yan, Juntao; Ren, Zhandong

    2018-02-01

    The MoS2/CdS composites with layered MoS2 loaded on uniform CdS nanospheres were synthesized by a two-step process combination hydrothermal and solvothermal treatments, and then applied in photocatalytic hydrogen evolution under visible light irradiation. The as-prepared samples were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), energy dispersive X-ray spectrometer (EDS), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), Raman spectra, UV-vis diffuse reflectance absorption spectra (UV-DRS), nitrogen adsorption-desorption measurement, photoluminescence spectra (PL) and photoelectrochemical tests. The effects of loading contents of MoS2 in the composites on the photocatalytic H2 evolution activity were comparatively investigated with 0.45 mol L-1 Na2S and 0.55 mol L-1 Na2SO3 as sacrificial agents. The results showed that the 5 wt% MoS2/CdS composite could achieve the highest photocatalytic H2 evolution rate of 372 μmol h-1 and apparent quantum efficiency (AQE) about 7.31% under 420 nm monochromatic light irradiation. The remarkably enhanced photocatalytic activity of MoS2/CdS composite could be attributed to the effective transfer and separation of photogenerated charge carriers, and MoS2 being as a cocatalyst to facilitating photocatalytic H2 evolution reaction. A tentative mechanism of MoS2/CdS composites as photocatalysts for H2 evolution was proposed.

  15. Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

    KAUST Repository

    Merida, Cindy S.; Le, Duy; Echeverrí a, Elena M.; Nguyen, Ariana E.; Rawal, Takat B; Naghibi Alvillar, Sahar; Kandyba, Viktor; Al-Mahboob, Abdullah; Losovyj, Yaroslav B.; Katsiev, Khabiboulakh; Valentin, Michael D.; Huang, Chun-Yu; Gomez, Michael J.; Lu, I-Hsi; Guan, Alison; Barinov, Alexei; Rahman, Talat S; Dowben, Peter A.; Bartels, Ludwig

    2017-01-01

    Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of such dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition (CVD). This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at sub-micron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. As a consequence, theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

  16. Edge passivation induced single-edge ferromagnetism of zigzag MoS_2 nanoribbons

    International Nuclear Information System (INIS)

    Wang, Rui; Sun, Hui; Ma, Ben; Hu, Jingguo; Pan, Jing

    2017-01-01

    We performed density functional theory study on electronic structure, magnetic properties and stability of zigzag MoS_2 nanoribbons (ZMoS_2NRs) with and without oxygen (O) passivation. The bare ZMoS_2NRs are magnetic metal with ferromagnetic edge states, edge passivation decreases their magnetism because of the decrease of edge unsaturated electrons. Obviously, the electronic structure and magnetic properties of ZMoS_2NRs greatly depend on edge states. When both edges are passivated by O atoms, ZMoS_2NRs are nonmagnetic metals. When either edge is passivated by O atoms, the systems exhibit single-edge ferromagnetism and magnetism concentrates on the non-passivated edge. Edge passivation can not only tune the magnetism of ZMoS_2NRs, but also enhance their stability by eliminating dangling bonds. These interesting findings on ZMoS_2NRs may open the possibility of their application in nanodevices and spintronics. - Highlights: • Edge passivation for tuning magnetism of zigzag MoS_2 nanoribbons (ZMoS_2NRs) is proposed. • Edge passivation can tune ZMoS_2NRs from nonmagnetic metal to ferromagnetic metal. • When either edge is passivated, the systems exhibit single-edge ferromagnetic states. • These findings may inspire great interest in the community of ZMoS_2NRs and motivate numerous experimental researches.

  17. Mapping Catalytically Relevant Edge Electronic States of MoS2

    Science.gov (United States)

    2018-01-01

    Molybdenum disulfide (MoS2) is a semiconducting transition metal dichalcogenide that is known to be a catalyst for both the hydrogen evolution reaction (HER) as well as for hydro-desulfurization (HDS) of sulfur-rich hydrocarbon fuels. Specifically, the edges of MoS2 nanostructures are known to be far more catalytically active as compared to unmodified basal planes. However, in the absence of the precise details of the geometric and electronic structure of the active catalytic sites, a rational means of modulating edge reactivity remain to be developed. Here we demonstrate using first-principles calculations, X-ray absorption spectroscopy, as well as scanning transmission X-ray microscopy (STXM) imaging that edge corrugations yield distinctive spectroscopic signatures corresponding to increased localization of hybrid Mo 4d states. Independent spectroscopic signatures of such edge states are identified at both the S L2,3 and S K-edges with distinctive spatial localization of such states observed in S L2,3-edge STXM imaging. The presence of such low-energy hybrid states at the edge of the conduction band is seen to correlate with substantially enhanced electrocatalytic activity in terms of a lower Tafel slope and higher exchange current density. These results elucidate the nature of the edge electronic structure and provide a clear framework for its rational manipulation to enhance catalytic activity. PMID:29721532

  18. Strain-Dependent Edge Structures in MoS2 Layers.

    Science.gov (United States)

    Tinoco, Miguel; Maduro, Luigi; Masaki, Mukai; Okunishi, Eiji; Conesa-Boj, Sonia

    2017-11-08

    Edge structures are low-dimensional defects unavoidable in layered materials of the transition metal dichalcogenides (TMD) family. Among the various types of such structures, the armchair (AC) and zigzag (ZZ) edge types are the most common. It has been predicted that the presence of intrinsic strain localized along these edges structures can have direct implications for the customization of their electronic properties. However, pinning down the relation between local structure and electronic properties at these edges is challenging. Here, we quantify the local strain field that arises at the edges of MoS 2 flakes by combining aberration-corrected transmission electron microscopy (TEM) with the geometrical-phase analysis (GPA) method. We also provide further insight on the possible effects of such edge strain on the resulting electronic behavior by means of electron energy loss spectroscopy (EELS) measurements. Our results reveal that the two-dominant edge structures, ZZ and AC, induce the formation of different amounts of localized strain fields. We also show that by varying the free edge curvature from concave to convex, compressive strain turns into tensile strain. These results pave the way toward the customization of edge structures in MoS 2 , which can be used to engineer the properties of layered materials and thus contribute to the optimization of the next generation of atomic-scale electronic devices built upon them.

  19. Epitaxial Single-Layer MoS2 on GaN with Enhanced Valley Helicity

    KAUST Repository

    Wan, Yi

    2017-12-19

    Engineering the substrate of 2D transition metal dichalcogenides can couple the quasiparticle interaction between the 2D material and substrate, providing an additional route to realize conceptual quantum phenomena and novel device functionalities, such as realization of a 12-time increased valley spitting in single-layer WSe2 through the interfacial magnetic exchange field from a ferromagnetic EuS substrate, and band-to-band tunnel field-effect transistors with a subthreshold swing below 60 mV dec−1 at room temperature based on bilayer n-MoS2 and heavily doped p-germanium, etc. Here, it is demonstrated that epitaxially grown single-layer MoS2 on a lattice-matched GaN substrate, possessing a type-I band alignment, exhibits strong substrate-induced interactions. The phonons in GaN quickly dissipate the energy of photogenerated carriers through electron–phonon interaction, resulting in a short exciton lifetime in the MoS2/GaN heterostructure. This interaction enables an enhanced valley helicity at room temperature (0.33 ± 0.05) observed in both steady-state and time-resolved circularly polarized photoluminescence measurements. The findings highlight the importance of substrate engineering for modulating the intrinsic valley carriers in ultrathin 2D materials and potentially open new paths for valleytronics and valley-optoelectronic device applications.

  20. Operation mode switchable charge-trap memory based on few-layer MoS2

    Science.gov (United States)

    Hou, Xiang; Yan, Xiao; Liu, Chunsen; Ding, Shijin; Zhang, David Wei; Zhou, Peng

    2018-03-01

    Ultrathin layered two-dimensional (2D) semiconductors like MoS2 and WSe2 have received a lot of attention because of their excellent electrical properties and potential applications in electronic devices. We demonstrate a charge-trap memory with two different tunable operation modes based on a few-layer MoS2 channel and an Al2O3/HfO2/Al2O3 charge storage stack. Our device shows excellent memory properties under the traditional three-terminal operation mode. More importantly, unlike conventional charge-trap devices, this device can also realize the memory performance with just two terminals (drain and source) because of the unique atomic crystal electrical characteristics. Under the two-terminal operation mode, the erase/program current ratio can reach up to 104 with a stable retention property. Our study indicates that the conventional charge-trap memory cell can also realize the memory performance without the gate terminal based on novel two dimensional materials, which is meaningful for low power consumption and high integration density applications.

  1. Determination of band offsets at GaN/single-layer MoS2 heterojunction

    KAUST Repository

    Tangi, Malleswararao

    2016-07-25

    We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

  2. Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

    KAUST Repository

    Addou, Rafik; McDonnell, Stephen; Barrera, Diego; Guo, Zaibing; Azcatl, Angelica; Wang, Jian; Zhu, Hui; Hinkle, Christopher L.; Quevedo-Lopez, Manuel; Alshareef, Husam N.; Colombo, Luigi; Hsu, Julia W P; Wallace, Robert M.

    2015-01-01

    Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

  3. Metallic 1T phase MoS2 nanosheets as supercapacitor electrode materials.

    Science.gov (United States)

    Acerce, Muharrem; Voiry, Damien; Chhowalla, Manish

    2015-04-01

    Efficient intercalation of ions in layered materials forms the basis of electrochemical energy storage devices such as batteries and capacitors. Recent research has focused on the exfoliation of layered materials and then restacking the two-dimensional exfoliated nanosheets to form electrodes with enhanced electrochemical response. Here, we show that chemically exfoliated nanosheets of MoS2 containing a high concentration of the metallic 1T phase can electrochemically intercalate ions such as H(+), Li(+), Na(+) and K(+) with extraordinary efficiency and achieve capacitance values ranging from ∼400 to ∼700 F cm(-3) in a variety of aqueous electrolytes. We also demonstrate that this material is suitable for high-voltage (3.5 V) operation in non-aqueous organic electrolytes, showing prime volumetric energy and power density values, coulombic efficiencies in excess of 95%, and stability over 5,000 cycles. As we show by X-ray diffraction analysis, these favourable electrochemical properties of 1T MoS2 layers are mainly a result of their hydrophilicity and high electrical conductivity, as well as the ability of the exfoliated layers to dynamically expand and intercalate the various ions.

  4. Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

    KAUST Repository

    Merida, Cindy S.

    2017-12-09

    Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of such dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition (CVD). This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at sub-micron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. As a consequence, theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

  5. Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

    KAUST Repository

    Addou, Rafik

    2015-09-22

    Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

  6. Tribological Performance of MoS2 Coatings in Various Environments

    Directory of Open Access Journals (Sweden)

    Thomas Gradt

    2016-09-01

    Full Text Available Molybdenum disulfide (MoS2 is a well-known solid lubricant for tribosystems running in vacuum or dry gases. Problems arise due to its sensitivity to humidity, which is a drawback for its application under ambient conditions. However, by using a physical vapor deposition (PVD process, deposition parameters can be optimized not only to gain a coatings structure with favorable frictional properties but also to minimize the sensitivity to attack by water molecules. Therefore, an improved tribological behavior even under moist conditions can be achieved. MoS2 coatings are also candidates for being applied at cryogenic temperatures. They already have proven their suitability, e.g., for sliding support elements between superconducting magnets of the nuclear fusion-experiment Wendelstein 7-X. However, these coatings were exclusively produced for this particular application and the utilization for more common tribosystems may be precluded due to cost considerations. In view of a wider range of applications, pure and Cr containing PVD-MoS2 coatings with an optimized structure were tested under varying environments including hydrogen gas and cryogenic temperatures. Results of the most promising variant are presented in this paper.

  7. Epitaxial Single-Layer MoS2 on GaN with Enhanced Valley Helicity

    KAUST Repository

    Wan, Yi; Xiao, Jun; Li, Jingzhen; Fang, Xin; Zhang, Kun; Fu, Lei; Li, Pan; Song, Zhigang; Zhang, Hui; Wang, Yilun; Zhao, Mervin; Lu, Jing; Tang, Ning; Ran, Guangzhao; Zhang, Xiang; Ye, Yu; Dai, Lun

    2017-01-01

    Engineering the substrate of 2D transition metal dichalcogenides can couple the quasiparticle interaction between the 2D material and substrate, providing an additional route to realize conceptual quantum phenomena and novel device functionalities, such as realization of a 12-time increased valley spitting in single-layer WSe2 through the interfacial magnetic exchange field from a ferromagnetic EuS substrate, and band-to-band tunnel field-effect transistors with a subthreshold swing below 60 mV dec−1 at room temperature based on bilayer n-MoS2 and heavily doped p-germanium, etc. Here, it is demonstrated that epitaxially grown single-layer MoS2 on a lattice-matched GaN substrate, possessing a type-I band alignment, exhibits strong substrate-induced interactions. The phonons in GaN quickly dissipate the energy of photogenerated carriers through electron–phonon interaction, resulting in a short exciton lifetime in the MoS2/GaN heterostructure. This interaction enables an enhanced valley helicity at room temperature (0.33 ± 0.05) observed in both steady-state and time-resolved circularly polarized photoluminescence measurements. The findings highlight the importance of substrate engineering for modulating the intrinsic valley carriers in ultrathin 2D materials and potentially open new paths for valleytronics and valley-optoelectronic device applications.

  8. Determination of band offsets at GaN/single-layer MoS2 heterojunction

    KAUST Repository

    Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Hedhili, Mohamed N.; Janjua, Bilal; Alias, Mohd Sharizal; Anjum, Dalaver H.; Tseng, Chien-Chih; Shi, Yumeng; Joyce, Hannah J.; Li, Lain-Jong; Ooi, Boon S.

    2016-01-01

    We report the band alignment parameters of the GaN/single-layer (SL) MoS2 heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS2/c-sapphire. We confirm that the MoS2 is an SL by measuring the separation and position of room temperature micro-Raman E1 2g and A1 g modes, absorbance, and micro-photoluminescence bandgap studies. This is in good agreement with HRTEM cross-sectional analysis. The determination of band offset parameters at the GaN/SL-MoS2 heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS2 and GaN. The valence band and conduction band offset values are, respectively, measured to be 1.86 ± 0.08 and 0.56 ± 0.1 eV with type II band alignment. The determination of these unprecedented band offset parameters opens up a way to integrate 3D group III nitride materials with 2D transition metal dichalcogenide layers for designing and modeling of their heterojunction based electronic and photonic devices.

  9. Antibiotic-loaded MoS2 nanosheets to combat bacterial resistance via biofilm inhibition

    Science.gov (United States)

    Zhang, Xu; Zhang, Wentao; Liu, Lizhi; Yang, Mei; Huang, Lunjie; Chen, Kai; Wang, Rong; Yang, Baowei; Zhang, Daohong; Wang, Jianlong

    2017-06-01

    The emergence of antibiotic resistance has resulted in increasing difficulty in treating clinical infections associated with biofilm formation, one of the key processes in turn contributing to enhanced antibiotic resistance. With the rapid development of nanotechnology, a new way to overcome antibiotic resistance has opened up. Based on the many and diverse properties of MoS2 nanosheets that have attracted wide attention, in particular their antibacterial potential, herein, a novel antimicrobial agent to combat resistant gram-positive Staphylococcus aureus and gram-negative Salmonella was prepared using chitosan functionalized MoS2 nanosheets loading tetracycline hydrochloride drugs (abbreviated to CM-TH). The antibacterial and anti-biofilm activities of the CM-TH nanocomposites showed the synergetic effect that the combination of nanomaterials and antibiotics was more efficient than either working alone. In particularly, the minimum inhibitory concentration values generally decreased by a factor of dozens, suggesting that CM-TH may become a possible alternative to traditional antibiotics in disrupting biofilms and overcoming antibiotic resistance in treating medical diseases.

  10. Dynamic Negative Compressibility of Few-Layer Graphene, h-BN, and MoS2

    Science.gov (United States)

    Neves, Bernardo; Barboza, Ana Paula; Chacham, Helio; Oliveira, Camilla; Fernandes, Thales; Martins Ferreira, Erlon; Archanjo, Braulio; Batista, Ronaldo; Oliveira, Alan

    2013-03-01

    We report a novel mechanical response of few-layer graphene, h-BN, and MoS2 to the simultaneous compression and shear by an atomic force microscope (AFM) tip. The response is characterized by the vertical expansion of these two-dimensional (2D) layered materials upon compression. Such effect is proportional to the applied load, leading to vertical strain values (opposite to the applied force) of up to 150%. The effect is null in the absence of shear, increases with tip velocity, and is anisotropic. It also has similar magnitudes in these solid lubricant materials (few-layer graphene, h-BN, and MoS2), but it is absent in single-layer graphene and in few-layer mica and Bi2Se3. We propose a physical mechanism for the effect where the combined compressive and shear stresses from the tip induce dynamical wrinkling on the upper material layers, leading to the observed flake thickening. The new effect (and, therefore, the proposed wrinkling) is reversible in the three materials where it is observed.[2] Financial support from CNPq, Fapemig, Rede Nacional de Pesquisa em Nanotubos de Carbono and INCT-Nano-Carbono

  11. First-principles studies of chromium line-ordered alloys in a molybdenum disulfide monolayer

    Science.gov (United States)

    Andriambelaza, N. F.; Mapasha, R. E.; Chetty, N.

    2017-08-01

    Density functional theory calculations have been performed to study the thermodynamic stability, structural and electronic properties of various chromium (Cr) line-ordered alloy configurations in a molybdenum disulfide (MoS2) hexagonal monolayer for band gap engineering. Only the molybdenum (Mo) sites were substituted at each concentration in this study. For comparison purposes, different Cr line-ordered alloy and random alloy configurations were studied and the most thermodynamically stable ones at each concentration were identified. The configurations formed by the nearest neighbor pair of Cr atoms are energetically most favorable. The line-ordered alloys are constantly lower in formation energy than the random alloys at each concentration. An increase in Cr concentration reduces the lattice constant of the MoS2 system following the Vegard’s law. From density of states analysis, we found that the MoS2 band gap is tunable by both the Cr line-ordered alloys and random alloys with the same magnitudes. The reduction of the band gap is mainly due to the hybridization of the Cr 3d and Mo 4d orbitals at the vicinity of the band edges. The band gap engineering and magnitudes (1.65 eV to 0.86 eV) suggest that the Cr alloys in a MoS2 monolayer are good candidates for nanotechnology devices.

  12. Ultrathin MoS2 and WS2 layers on silver nano-tips as electron emitters

    Science.gov (United States)

    Loh, Tamie A. J.; Tanemura, Masaki; Chua, Daniel H. C.

    2016-09-01

    2-dimensional (2D) inorganic analogues of graphene such as MoS2 and WS2 present interesting opportunities for field emission technology due to their high aspect ratio and good electrical conductivity. However, research on 2D MoS2 and WS2 as potential field emitters remains largely undeveloped compared to graphene. Herein, we present an approach to directly fabricate ultrathin MoS2 and WS2 onto Ag nano-tips using pulsed laser deposition at low temperatures of 450-500 °C. In addition to providing a layer of chemical and mechanical protection for the Ag nano-tips, the growth of ultrathin MoS2 and WS2 layers on Ag led to enhanced emission properties over that of pristine nano-tips due to a reduction of the effective barrier height arising from charge injection from Ag to the overlying MoS2 or WS2. For WS2 on Ag nano-tips, the phasic mixture was also an important factor influencing the field emission performance. The presence of 1T-WS2 at the metal-WS2 interface in a hybrid film of 2H/1T-WS2 leads to improvement in the field emission capabilities as compared to pure 2H-WS2 on Ag nano-tips.

  13. Low-temperature synthesis of 2D MoS2 on a plastic substrate for a flexible gas sensor.

    Science.gov (United States)

    Zhao, Yuxi; Song, Jeong-Gyu; Ryu, Gyeong Hee; Ko, Kyung Yong; Woo, Whang Je; Kim, Youngjun; Kim, Donghyun; Lim, Jun Hyung; Lee, Sunhee; Lee, Zonghoon; Park, Jusang; Kim, Hyungjun

    2018-05-08

    The efficient synthesis of two-dimensional molybdenum disulfide (2D MoS2) at low temperatures is essential for use in flexible devices. In this study, 2D MoS2 was grown directly at a low temperature of 200 °C on both hard (SiO2) and soft substrates (polyimide (PI)) using chemical vapor deposition (CVD) with Mo(CO)6 and H2S. We investigated the effect of the growth temperature and Mo concentration on the layered growth by Raman spectroscopy and microscopy. 2D MoS2 was grown by using low Mo concentration at a low temperature. Through optical microscopy, Raman spectroscopy, X-ray photoemission spectroscopy, photoluminescence, and transmission electron microscopy measurements, MoS2 produced by low-temperature CVD was determined to possess a layered structure with good uniformity, stoichiometry, and a controllable number of layers. Furthermore, we demonstrated the realization of a 2D MoS2-based flexible gas sensor on a PI substrate without any transfer processes, with competitive sensor performance and mechanical durability at room temperature. This fabrication process has potential for burgeoning flexible and wearable nanotechnology applications.

  14. Contact-Engineered Electrical Properties of MoS2 Field-Effect Transistors via Selectively Deposited Thiol-Molecules.

    Science.gov (United States)

    Cho, Kyungjune; Pak, Jinsu; Kim, Jae-Keun; Kang, Keehoon; Kim, Tae-Young; Shin, Jiwon; Choi, Barbara Yuri; Chung, Seungjun; Lee, Takhee

    2018-05-01

    Although 2D molybdenum disulfide (MoS 2 ) has gained much attention due to its unique electrical and optical properties, the limited electrical contact to 2D semiconductors still impedes the realization of high-performance 2D MoS 2 -based devices. In this regard, many studies have been conducted to improve the carrier-injection properties by inserting functional paths, such as graphene or hexagonal boron nitride, between the electrodes and 2D semiconductors. The reported strategies, however, require relatively time-consuming and low-yield transfer processes on sub-micrometer MoS 2 flakes. Here, a simple contact-engineering method is suggested, introducing chemically adsorbed thiol-molecules as thin tunneling barriers between the metal electrodes and MoS 2 channels. The selectively deposited thiol-molecules via the vapor-deposition process provide additional tunneling paths at the contact regions, improving the carrier-injection properties with lower activation energies in MoS 2 field-effect transistors. Additionally, by inserting thiol-molecules at the only one contact region, asymmetric carrier-injection is feasible depending on the temperature and gate bias. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Effects of adding metals to MoS2 in a ytterbium doped Q-switched fiber laser

    Science.gov (United States)

    Khaleque, Abdul; Liu, Liming

    2018-03-01

    Molybdenum disulfide (MoS2) is widely used in lubricants, metallic alloys and in electronic and optical components. It is also used as saturable absorbers (SAs) in lasers (e.g. fiber lasers): a simple deposition of MoS2 on the fiber end can create a saturable absorber without the necessity of extensive alignment of the optical beam. In this article, we study the effects of adding different metals (Cr, Au, and Al) to MoS2 in a ytterbium (Yb)-doped Q-switched fiber laser. Experimental results show that the addition of a thin layer of gold and aluminium can reduce pulse durations to about 5.8 μs and 8.5 μs, respectively, compared with pure MoS2 with pulse duration of 12 μs. Experimental analysis of the combined metal and MoS2 based composite SAs can be useful in fiber laser applications where it may also find applications in medical, three dimensional (3D) active imaging and dental applications.

  16. Two-dimensional MoS2-graphene hybrid nanosheets for high gravimetric and volumetric lithium storage

    Science.gov (United States)

    Deng, Yakai; Ding, Lixin; Liu, Qixing; Zhan, Liang; Wang, Yanli; Yang, Shubin

    2018-04-01

    Two-dimensional (2D) MoS2-graphene (MoS2-G) hybrid is fabricated simultaneously and scalablely with an efficient electrochemical exfoliation approach from the combined bulk MoS2-graphite wafer. The as-prepared 2D MoS2-G hybrid is tightly covered with each other with lateral sizes of 600 nm to few micrometers and can be directly assembled to flexible films for lithium storage. When used as anode material for lithium ion battery, the resultant MoS2-G hybrid film exhibits both high gravimetric (750 mA h g-1 at 50 mA g-1) and volumetric capacities (1200 mA h cm-3 at 0.1 mA cm-2). Such excellent electrochemical performance should attributed to the unique 2D structure and good conductive graphene network, which not only facilitates the diffusion of lithium ions, but also improves the fast transfer of electrons, satisfying the kinetics requirements for rapid lithium storage.

  17. Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS2 tribofilm

    International Nuclear Information System (INIS)

    Morita, Yusuke; Onodera, Tasuku; Suzuki, Ai; Sahnoun, Riadh; Koyama, Michihisa; Tsuboi, Hideyuki; Hatakeyama, Nozomu; Endou, Akira; Takaba, Hiromitsu; Kubo, Momoji; Del Carpio, Carlos A.; Shin-yoshi, Takatoshi; Nishino, Noriaki; Suzuki, Atsushi; Miyamoto, Akira

    2008-01-01

    Recently we have developed a novel molecular dynamics program NEW-RYUDO-CR, which can deal with chemical reactions. The developed method has been applied to the study of tribochemical reaction dynamics of MoS 2 tribofilm on iron surface. The initially amorphous MoS 2 layer self-organized its structure as result of the tribochemical reactions and formed layered MoS 2 tribofilm. The friction coefficient significantly decreased as the MoS 2 tribofilm was formed. Besides, sliding was observed between sulfur layers of MoS 2 tribofilms which occurred due to repulsive Coulombic interaction forces between sulfur atoms. This indicates that the formation of the layered MoS 2 tribofilm is important to achieve better lubrication properties

  18. Stable MoS2 Field-Effect Transistors Using TiO2 Interfacial Layer at Metal/MoS2 Contact

    KAUST Repository

    Park, Woojin

    2017-09-07

    Molybdenum disulphide (MoS2) is an emerging 2-dimensional (2D) semiconductor for electronic devices. However, unstable and low performance of MoS2 FETs is an important concern. In this study, inserting an atomic layer deposition (ALD) titanium dioxide (TiO2) interfacial layer between contact metal and MoS2 channel is suggested to achieve more stable performances. The reduced threshold voltage (VTH) shift and reduced series resistance (RSD) were simultaneously achieved.

  19. Electric-field and strain-tunable electronic properties of MoS2/h-BN/graphene vertical heterostructures.

    Science.gov (United States)

    Zan, Wenyan; Geng, Wei; Liu, Huanxiang; Yao, Xiaojun

    2016-01-28

    Vertical heterostructures of MoS2/h-BN/graphene have been successfully fabricated in recent experiments. Using first-principles analysis, we show that the structural and electronic properties of such vertical heterostructures are sensitive to applied vertical electric fields and strain. The applied electric field not only enhances the interlayer coupling but also linearly controls the charge transfer between graphene and MoS2 layers, leading to a tunable doping in graphene and controllable Schottky barrier height. Applied biaxial strain could weaken the interlayer coupling and results in a slight shift of graphene's Dirac point with respect to the Fermi level. It is of practical importance that the tunable electronic properties by strain and electric fields are immune to the presence of sulfur vacancies, the most common defect in MoS2.

  20. Van der Waals epitaxial growth of MoS2 on SiO2/Si by chemical vapor deposition

    KAUST Repository

    Cheng, Yingchun

    2013-01-01

    Recently, single layer MoS2 with a direct band gap of 1.9 eV has been proposed as a candidate for two dimensional nanoelectronic devices. However, the synthetic approach to obtain high-quality MoS2 atomic thin layers is still problematic. Spectroscopic and microscopic results reveal that both single layers and tetrahedral clusters of MoS2 are deposited directly on the SiO2/Si substrate by chemical vapor deposition. The tetrahedral clusters are mixtures of 2H- and 3R-MoS2. By ex situ optical analysis, both the single layers and tetrahedral clusters can be attributed to van der Waals epitaxial growth. Due to the similar layered structures we expect the same growth mechanism for other transition-metal disulfides by chemical vapor deposition. © 2013 The Royal Society of Chemistry.

  1. UHV-STM manipulation of single flat gold nano-islands for constructing interconnection nanopads on MoS2

    International Nuclear Information System (INIS)

    Yang, JianShu; Jie, Deng; Chandrasekhar, N; Joachim, C

    2007-01-01

    We demonstrate manipulation of metallic islands containing nearly a million atoms with a precision of one lattice spacing on a MoS 2 surface, one at a time. Optimizing the growth conditions yields triangular shape metallic nano-islands 40 nm in lateral size and 12 nm in height on the MoS2 surface. The manipulation of these nano-islands is done one at a time using the scanning tunneling microscope, and a fully planar 4 pad nanostructure is demonstrated, where one apex of each triangular nano-island is pointing towards a central working MoS 2 area of 12 nm x 24 nm in which atomic cleanliness is preserved. The feedback loop conditions to achieve this manipulation are discussed. This fully planar 4 pads nano-structure is ready to be interconnected by a multi-tip system

  2. Temperature-Dependent Electrical Properties of Al2O3-Passivated Multilayer MoS2 Thin-Film Transistors

    Directory of Open Access Journals (Sweden)

    Seok Hwan Jeong

    2018-03-01

    Full Text Available It is becoming more important for electronic devices to operate stably and reproducibly under harsh environments, such as extremely low and/or high temperatures, for robust and practical applications. Here, we report on the effects of atomic-layer-deposited (ALD aluminum oxide (Al2O3 passivation on multilayer molybdenum disulfide (MoS2 thin-film transistors (TFTs and their temperature-dependent electrical properties, especially at a high temperature range from 293 K to 380 K. With the aid of ultraviolet-ozone treatment, an Al2O3 layer was uniformly applied to cover the entire surface of MoS2 TFTs. Our Al2O3-passivated MoS2 TFTs exhibited not only a dramatic reduction of hysteresis but also enhancement of current in output characteristics. In addition, we investigated the temperature-dependent behaviors of the TFT performance, including intrinsic carrier mobility based on the Y-function method.

  3. Hybrid MoS2/h-BN Nanofillers As Synergic Heat Dissipation and Reinforcement Additives in Epoxy Nanocomposites.

    Science.gov (United States)

    Ribeiro, Hélio; Trigueiro, João Paulo C; Silva, Wellington M; Woellner, Cristiano F; Owuor, Peter S; Cristian Chipara, Alin; Lopes, Magnovaldo C; Tiwary, Chandra S; Pedrotti, Jairo J; Villegas Salvatierra, Rodrigo; Tour, James M; Chopra, Nitin; Odeh, Ihab N; Silva, Glaura G; Ajayan, Pulickel M

    2017-09-26

    Two-dimensional (2D) nanomaterials as molybdenum disulfide (MoS 2 ), hexagonal boron nitride (h-BN), and their hybrid (MoS 2 /h-BN) were employed as fillers to improve the physical properties of epoxy composites. Nanocomposites were produced in different concentrations and studied in their microstructure, mechanical and thermal properties. The hybrid 2D mixture imparted efficient reinforcement to the epoxy leading to increases of up to 95% in tensile strength, 60% in ultimate strain, and 58% in Young's modulus. Moreover, an enhancement of 203% in thermal conductivity was achieved for the hybrid composite as compared to the pure polymer. The incorporation of MoS 2 /h-BN mixture nanofillers in epoxy resulted in nanocomposites with multifunctional characteristics for applications that require high mechanical and thermal performance.

  4. Comparitive study of fluorescence lifetime quenching of rhodamine 6G by MoS2 and Au-MoS2

    Science.gov (United States)

    Shakya, Jyoti; Kasana, Parath; Mohanty, T.

    2018-04-01

    Time resolved fluorescence study of Rhodamine 6G (R6G) in the presence of Molybdenum disulfide (MoS2) nanosheets and gold doped MoS2 (Au-MoS2) have been carried out and discussed. We have analyzed the fluorescence decay curves of R6G and it is observed that Au-MoS2 is a better fluorescence lifetime quencher as compare to MoS2 nanosheets. Also, the energy transfer efficiency and energy transfer rate from R6G to MoS2 and Au-MoS2 has been calculated and found higher for Au-MoS2.

  5. Atomic-scale insight into the origin of pyridine inhibition of MoS2-based hydrotreating catalysts

    DEFF Research Database (Denmark)

    Temel, Burcin; Tuxen, Anders K.; Kibsgaard, Jakob

    2010-01-01

    in earlier IR experiments on high surface alumina-supported MoS2 catalyst. The adsorption sites appear to be very similar to the brim sites involved in hydrogenation reactions in HDS. Thus, the combined STM and DFT results provide new atomic-scale insight into the inhibition effect of basic N......-compounds in HDS and the first direct observation of the adsorption mode of basic N-compounds on the catalytically active MoS2 edges. Our results lend further support to previously reported correlations between inhibiting strength and proton affinity for the N-containing compounds....

  6. Structure and Electronic Properties of In Situ Synthesized Single-Layer MoS2 on a Gold Surface

    DEFF Research Database (Denmark)

    Sørensen, Signe Grønborg; Füchtbauer, Henrik Gøbel; Tuxen, Anders Kyrme

    2014-01-01

    When transition metal sulfides such as MoS2 are present in the single-layer form, the electronic properties change in fundamental ways, enabling them to be used, e.g., in two-dimensional semiconductor electronics, optoelectronics, and light harvesting. The change is related to a subtle modification...... with scanning tunneling microscopy and X-ray photoelectron spectroscopy characterization of two-dimensional single-layer islands of MoS2 synthesized directly on a gold single crystal substrate. Thanks to a periodic modulation of the atom stacking induced by the lattice mismatch, we observe a structural buckling...

  7. First-principles study of van der Waals interactions in MoS2 and MoO3

    International Nuclear Information System (INIS)

    Peelaers, H; Van de Walle, C G

    2014-01-01

    Van der Waals interactions play an important role in layered materials such as MoS 2 and MoO 3 . Within density functional theory, several methods have been developed to explicitly include van der Waals interactions. We compare the performance of several of these functionals in describing the structural and electronic properties of MoS 2 and MoO 3 . We include functionals based on the local density or generalized gradient approximations, but also based on hybrid functionals. The coupling of the semiempirical Grimme D2 method with the hybrid functional HSE06 is shown to lead to a very good description of both structural and electronic properties. (paper)

  8. MoS2 embedded TiO2 nanoparticles for concurrent role of adsorption and photocatalysis

    Science.gov (United States)

    Pal, Arnab; Jana, Tushar K.; Chatterjee, Kuntal

    2018-04-01

    In this work, MoS2 embedded TiO2 nanoparticles, synthesized through hydrothermal process, was successfully employed to remove organic pollutant dye like methylene blue(MB) through adsorption and as well as through photocatalysis under visible light irradiation. The system was characterized by structural and morphological study. The adsorption and photocatalytic study of MB were evaluated with different concentrations of dye in aqueous solution. This work brings the MoS2-TiO2 nanostructure as excellent adsorbent as well as efficient photocatalyst materials which can be used for organic dye removal towards waste-water treatment.

  9. How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS2

    DEFF Research Database (Denmark)

    Hüser, Falco; Olsen, Thomas; Thygesen, Kristian Sommer

    2013-01-01

    We present first-principles many-body calculations of the dielectric constant, quasiparticle band structure, and optical absorption spectrum of monolayer MoS2 using a supercell approach. As the separation between the periodically repeated layers is increased, the dielectric function of the layer...

  10. Observation of Switchable Photoresponse of a Monolayer WSe 2 –MoS 2 Lateral Heterostructure via Photocurrent Spectral Atomic Force Microscopic Imaging

    KAUST Repository

    Son, Youngwoo; Li, Ming-yang; Cheng, Chia-Chin; Wei, Kung-Hwa; Liu, Pingwei; Wang, Qing Hua; Li, Lain-Jong; Strano, Michael S.

    2016-01-01

    spectral atomic force microscopy to image the current and photocurrent generated between a biased PtIr tip and a monolayer WSe2-MoS2 lateral heterostructure. Current measurements in the dark in both forward and reverse bias reveal an opposite characteristic

  11. Stacking change in MoS2 bilayers induced by interstitial Mo impurities.

    Science.gov (United States)

    Cortés, Natalia; Rosales, Luis; Orellana, Pedro A; Ayuela, Andrés; González, Jhon W

    2018-02-01

    We use a theoretical approach to reveal the electronic and structural properties of molybdenum impurities between MoS 2 bilayers. We find that interstitial Mo impurities are able to reverse the well-known stability order of the pristine bilayer, because the most stable form of stacking changes from AA' (undoped) into AB' (doped). The occurrence of Mo impurities in different positions shows their split electronic levels in the energy gap, following octahedral and tetrahedral crystal fields. The energy stability is related to the accommodation of Mo impurities compacted in hollow sites between layers. Other less stable configurations for Mo dopants have larger interlayer distances and band gaps than those for the most stable stacking. Our findings suggest possible applications such as exciton trapping in layers around impurities, and the control of bilayer stacking by Mo impurities in the growth process.

  12. Electronic structure and transport properties of zigzag MoS2 nanoribbons

    Science.gov (United States)

    Sharma, Uma Shankar; Shah, Rashmi; Mishra, Pankaj Kumar

    2018-05-01

    In present study, electronic and transport properties of the 8zigzag MoS2 nanoribbons (8ZMoS2NRs) are investigated using ab-initio density functional theory [DFT]. The calculations were performed using nonequilibrium Green's function (NEGF) formalism based on DFT as implemented in the TranSiesta code. Results show that the defect can introduces few extra states into the energy gap, which lead nanoribbons to reveal a metallic characteristic. The voltage-current (VI) graph of 8ZMoS2NRs show a threshold current increases after introducing Mo defect in the devices. when introducing a Mo vacancy under low biases, the current will be suppressed—whereas under high biases, the current through the defected 8ZMoS2NRs will increases rapidly, due to the other channel being opened, that make possibility of 8ZMoS2NRs application in electronic devices such as voltage regulation.

  13. Large theoretical thermoelectric power factor of suspended single-layer MoS2

    International Nuclear Information System (INIS)

    Babaei, Hasan; Khodadadi, J. M.; Sinha, Sanjiv

    2014-01-01

    We have calculated the semi-classical thermoelectric power factor of suspended single-layer (SL)- MoS 2 utilizing electron relaxation times derived from ab initio calculations. Measurements of the thermoelectric power factor of SL-MoS 2 on substrates reveal poor power factors. In contrast, we find the thermoelectric power factor of suspended SL-MoS 2 to peak at ∼2.8 × 10 4 μW/m K 2 at 300 K, at an electron concentration of 10 12 cm −2 . This figure is higher than that in bulk Bi 2 Te 3 , for example. Given its relatively high thermal conductivity, suspended SL-MoS 2 may hold promise for in-plane thin-film Peltier coolers, provided reasonable mobilities can be realized

  14. On the interpretation of total current spectroscopy (TCS) spectra from MoS2 crystals

    International Nuclear Information System (INIS)

    Mohamed, M.H.; Moeller, P.J.

    1981-01-01

    Total Current Spectroscopy (TCS) spectra from MoS 2 (0001) face for three different angles of incidence of the primary beam with respect to the c-axis as well as TCS spectrum from an edge surface cut perpendicularly to the (001) face of a molybdenite crystal are given. Energy positions of the TCS structure are found to be independent of the variations in the angle of incidence of the primary beam and also of the change of crystal face. From this it is concluded that the fine structure in the TCS spectra from molybdenite crystal for the primary energies studied is due to electron-electron scattering and not to Bragg interference effects. (author)

  15. H-point exciton transitions in bulk MoS2

    International Nuclear Information System (INIS)

    Saigal, Nihit; Ghosh, Sandip

    2015-01-01

    Reflectance and photoreflectance spectrum of bulk MoS 2 around its direct bandgap energy have been measured at 12 K. Apart from spectral features due to the A and B ground state exciton transitions at the K-point of the Brillouin zone, one observes additional features at nearby energies. Through lineshape analysis the character of two prominent additional features are shown to be quite different from that of A and B. By comparing with reported electronic band structure calculations, these two additional features are identified as ground state exciton transitions at the H-point of the Brillouin zone involving two spin-orbit split valance bands. The excitonic energy gap at the H-point is 1.965 eV with a valance bands splitting of 185 meV. While at the K-point, the corresponding values are 1.920 eV and 205 meV, respectively

  16. Flexible Superhydrophobic and Superoleophilic MoS2 Sponge for Highly Efficient Oil-Water Separation

    Science.gov (United States)

    Gao, Xiaojia; Wang, Xiufeng; Ouyang, Xiaoping; Wen, Cuie

    2016-01-01

    Removal of oils and organic solvents from water is an important global challenge for energy conservation and environmental protection. Advanced sorbent materials with excellent sorption capacity need to be developed. Here we report on a superhydrophobic and superoleophilic MoS2 nanosheet sponge (SMS) for highly efficient separation and absorption of oils or organic solvents from water. This novel sponge exhibits excellent absorption performance through a combination of superhydrophobicity, high porosity, robust stability in harsh conditions (including flame retardance and inertness to corrosive and different temperature environments) and excellent mechanical properties. The dip-coating strategy proposed for the fabrication of the SMS, which does not require a complicated process or sophisticated equipment, is very straightforward and easy to scale up. This finding shows promise for water remediation and oil recovery. PMID:27272562

  17. Electrophoretic Deposition of Hydroxyapatite Film Containing Re-Doped MoS2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Hila Shalom

    2018-02-01

    Full Text Available Films combining hydroxyapatite (HA with minute amounts (ca. 1 weight % of (rhenium doped fullerene-like MoS2 (IF nanoparticles were deposited onto porous titanium substrate through electrophoretic process (EPD. The films were analyzed by scanning electron microscopy (SEM, X-ray diffraction and Raman spectroscopy. The SEM analysis showed relatively uniform coatings of the HA + IF on the titanium substrate. Chemical composition analysis using energy dispersive X-ray spectroscopy (EDS of the coatings revealed the presence of calcium phosphate minerals like hydroxyapatite, as a majority phase. Tribological tests were undertaken showing that the IF nanoparticles endow the HA film very low friction and wear characteristics. Such films could be of interest for various medical technologies. Means for improving the adhesion of the film to the underlying substrate and its fracture toughness, without compromising its biocompatibility are discussed at the end.

  18. Highly Flexible and High-Performance Complementary Inverters of Large-Area Transition Metal Dichalcogenide Monolayers

    KAUST Repository

    Pu, Jiang

    2016-03-23

    Complementary inverters constructed from large-area monolayers of WSe2 and MoS2 achieve excellent logic swings and yield an extremely high gain, large total noise margin, low power consumption, and good switching speed. Moreover, the WSe2 complementary-like inverters built on plastic substrates exhibit high mechanical stability. The results provide a path toward large-area flexible electronics. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Printable Transfer-Free and Wafer-Size MoS2/Graphene van der Waals Heterostructures for High-Performance Photodetection.

    Science.gov (United States)

    Liu, Qingfeng; Cook, Brent; Gong, Maogang; Gong, Youpin; Ewing, Dan; Casper, Matthew; Stramel, Alex; Wu, Judy

    2017-04-12

    Two-dimensional (2D) MoS 2 /graphene van der Waals heterostructures integrate the superior light-solid interaction in MoS 2 and charge mobility in graphene for high-performance optoelectronic devices. Key to the device performance lies in a clean MoS 2 /graphene interface to facilitate efficient transfer of photogenerated charges. Here, we report a printable and transfer-free process for fabrication of wafer-size MoS 2 /graphene van der Waals heterostructures obtained using a metal-free-grown graphene, followed by low-temperature growth of MoS 2 from the printed thin film of ammonium thiomolybdate on graphene. The photodetectors based on the transfer-free MoS 2 /graphene heterostructures exhibit extraordinary short photoresponse rise/decay times of 20/30 ms, which are significantly faster than those of the previously reported MoS 2 /transferred-graphene photodetectors (0.28-1.5 s). In addition, a high photoresponsivity of up to 835 mA/W was observed in the visible spectrum on such transfer-free MoS 2 /graphene heterostructures, which is much higher than that of the reported photodetectors based on the exfoliated layered MoS 2 (0.42 mA/W), the graphene (6.1 mA/W), and transfer-free MoS 2 /graphene/SiC heterostructures (∼40 mA/W). The enhanced performance is attributed to the clean interface on the transfer-free MoS 2 /graphene heterostructures. This printable and transfer-free process paves the way for large-scale commercial applications of the emerging 2D heterostructures in optoelectronics and sensors.

  20. Tm-doped fiber laser mode-locking with MoS2-polyvinyl alcohol saturable absorber

    Science.gov (United States)

    Cao, Liming; Li, Xing; Zhang, Rui; Wu, Duanduan; Dai, Shixun; Peng, Jian; Weng, Jian; Nie, Qiuhua

    2018-03-01

    We have designed an all-fiber passive mode-locking thulium-doped fiber laser that uses molybdenum disulfide (MoS2) as a saturable absorber (SA) material. A free-standing few-layer MoS2-polyvinyl alcohol (PVA) film is fabricated by liquid phase exfoliation (LPE) and is then transferred onto the end face of a fiber connector. The excellent saturable absorption of the fabricated MoS2-based SA allows the laser to output soliton pulses at a pump power of 500 mW. Fundamental frequency mode-locking is realized at a repetition frequency of 13.9 MHz. The central wavelength is 1926 nm, the 3 dB spectral bandwidth is 2.86 nm and the pulse duration is 1.51 ps. Additionally, third-order harmonic mode-locking of the laser is also achieved. The pulse duration is 1.33 ps, which is slightly narrower than the fundamental frequency mode-locking bandwidth. The experimental results demonstrate that the few-layer MoS2-PVA SA is promising for use in 2 μm laser systems.

  1. The effect of glassfibre, graphite and MoS2 on the tribological performance of a liquid crystalline polymer

    NARCIS (Netherlands)

    Dufour, P.R.; de Gee, A.W.J.; Kingma, J.A.; Mens, J.W.M.

    1992-01-01

    A thermotropic liquid crystalline polymer (LCP) with a high melting point of approximately 400 °C, unfilled and filled with glassfibre, MoS2 or graphitic carbon was tested in dry sliding contact with steel. Three different test methods were applied, i.e. measurement of coefficient of friction and

  2. Electrochemical synthesis of MoS2 quantum dots embedded nanostructured porous silicon with enhanced electroluminescence property

    Science.gov (United States)

    Shrivastava, Megha; Kumari, Reeta; Parra, Mohammad Ramzan; Pandey, Padmini; Siddiqui, Hafsa; Haque, Fozia Z.

    2017-11-01

    In this report we present the successful enhancement in electroluminescence (EL) in nanostructured n-type porous silicon (PS) with an idea of embedding luminophorous Molybdenum disulfide (MoS2) quantum dots (QD's). Electrochemical anodization technique was used for the formation of PS surface and MoS2 QD's were prepared using the electrochemical route. Spin coating technique was employed for the proper incorporation of MoS2 QD's within the PS nanostructures. The crystallographic analysis was performed using X-ray diffraction (XRD), Raman and Fourier transform infrared (FT-IR) spectroscopy techniques. However, surface morphology was determined using Transmission electron microscopy (TEM) and Atomic force microscopy (AFM). The optical measurements were performed on photoluminescence (PL) spectrophotometer; additionally for electroluminescence (EL) study special arrangement of instrumental setup was made at laboratory level which provides novelty to this work. A diode prototype was made comprising Ag/MoS2:PS/Silicon/Ag for EL study. The MoS2:PS shows a remarkable concentration dependent enhancement in PL as well as in EL intensities, which paves a way to better utilize this strategy in optoelectronic device applications.

  3. Hybrid van der Waals p-n Heterojunctions based on SnO and 2D MoS2

    KAUST Repository

    Wang, Zhenwei; He, Xin; Zhang, Xixiang; Alshareef, Husam N.

    2016-01-01

    A p-type oxide/2D hybrid van der Waals p-n heterojunction is demonstrated for the first time between SnO (tin monoxide) (the p-type oxide) and 2D MoS2 (molybdenum disulfide), showing an ideality factor of 2 and rectification ratio up to 10

  4. Electrical Transport and Low-Frequency Noise in Chemical Vapor Deposited Single-Layer MoS2 Devices

    Science.gov (United States)

    2014-03-18

    PERSON 19b. TELEPHONE NUMBER Pullickel Ajayan Deepak Sharma, Matin Amani, Abhishek Motayed, Pankaj B. Shah, A. Glen Birdwell, Sina Najmaei, Pulickel...in chemical vapor deposited single-layer MoS2 devices Deepak Sharma1,2, Matin Amani3, Abhishek Motayed2,4, Pankaj B Shah3, A Glen Birdwell3, Sina

  5. MoS2 Nanocube structures as catalysts for electrochemical H2 evolution from acidic aqueous solutions

    NARCIS (Netherlands)

    Maijenburg, A.W.; Regis, M.; Hattori, A.N.; Tanaka, H.; Choi, K.-S.; ten Elshof, Johan E.

    2014-01-01

    Core–shell PMMA–Au nanocube structures made by a combination of nanoimprint lithography and sidewall deposition were used as template for electrodeposition of MoS2, Ni, and Pt. Linear sweep voltammetry experiments obtained in an aqueous solution containing 0.29 M H2SO4 (pH 0.24) showed that the

  6. MoS2 nanosheets direct supported on reduced graphene oxide: An advanced electrocatalyst for hydrogen evolution reaction.

    Directory of Open Access Journals (Sweden)

    Jiamu Cao

    Full Text Available Molybdenum disulfide nanosheets/reduced graphene oxide (MoS2 NSs/rGO nanohybrid as a highly effective catalyst for hydrogen evolution reaction (HER have been successfully synthesized by a facile microwave-assisted method. The results clearly reveal that direct grown of MoS2 NSs on rGO have been achieved. Electrochemical tests show that the as-prepared hybrid material exhibited excellent HER activity, with a small Tafel slope of 57 mV dec-1, an overpotential of 130 mV and remarkable cycling stability. After analysis, the observed outstanding catalytic performance can be attributed to the uniform distribution of the MoS2 NSs, which are characterized by the presence of multiple active sites as well as the effective electron transport route provided by the conductive rGO substrate. Moreover, according to the classic theory, the mechanism governing of the catalytic HER on the MoS2 NSs/rGO nanohybrid has been clarified.

  7. Friction and work function oscillatory behavior for an even and odd number of layers in polycrystalline MoS2.

    Science.gov (United States)

    Lavini, Francesco; Calò, Annalisa; Gao, Yang; Albisetti, Edoardo; Li, Tai-De; Cao, Tengfei; Li, Guoqing; Cao, Linyou; Aruta, Carmela; Riedo, Elisa

    2018-04-24

    A large effort is underway to investigate the properties of two-dimensional (2D) materials for their potential to become building blocks in a variety of integrated nanodevices. In particular, the ability to understand the relationship between friction, adhesion, electric charges and defects in 2D materials is of key importance for their assembly and use in nano-electro-mechanical and energy harvesting systems. Here, we report on a new oscillatory behavior of nanoscopic friction in continuous polycrystalline MoS2 films for an odd and even number of atomic layers, where odd layers show higher friction and lower work function. Friction force microscopy combined with Kelvin probe force microscopy and X-ray photoelectron spectroscopy demonstrates that an enhanced adsorption of charges and OH molecules is at the origin of the observed increase in friction for 1 and 3 polycrystalline MoS2 layers. In polycrystalline films with an odd number of layers, each crystalline nano-grain carries a dipole due to the MoS2 piezoelectricity, therefore charged molecules adsorb at the grain boundaries all over the surface of the continuous MoS2 film. Their displacement during the sliding of a nano-size tip gives rise to the observed enhanced dissipation and larger nanoscale friction for odd layer-numbers. Similarly, charged adsorbed molecules are responsible for the work function decrease in odd layer-number.

  8. Room-temperature superparamagnetism due to giant magnetic anisotropy in Mo S defected single-layer MoS2

    Science.gov (United States)

    Khan, M. A.; Leuenberger, Michael N.

    2018-04-01

    Room-temperature superparamagnetism due to a large magnetic anisotropy energy (MAE) of a single atom magnet has always been a prerequisite for nanoscale magnetic devices. Realization of two dimensional (2D) materials such as single-layer (SL) MoS2, has provided new platforms for exploring magnetic effects, which is important for both fundamental research and for industrial applications. Here, we use density functional theory (DFT) to show that the antisite defect (Mo S ) in SL MoS2 is magnetic in nature with a magnetic moment μ of  ∼2 μB and, remarkably, exhibits an exceptionally large atomic scale MAE =\\varepsilon\\parallel-\\varepsilon\\perp of  ∼500 meV. Our calculations reveal that this giant anisotropy is the joint effect of strong crystal field and significant spin–orbit coupling (SOC). In addition, the magnetic moment μ can be tuned between 1 μB and 3 μB by varying the Fermi energy \\varepsilonF , which can be achieved either by changing the gate voltage or by chemical doping. We also show that MAE can be raised to  ∼1 eV with n-type doping of the MoS2:Mo S sample. Our systematic investigations deepen our understanding of spin-related phenomena in SL MoS2 and could provide a route to nanoscale spintronic devices.

  9. Improving the Electromagnetic Wave Absorption Properties of the Layered MoS2 by Cladding with Ni Nanoparticles

    Science.gov (United States)

    Zhang, Zilong; Wang, Zilin; Heng, Liuyang; Wang, Shuai; Chen, Xiqiao; Fu, Xiquan; Zou, Yanhong; Tang, Zhixiang

    2018-05-01

    MoS2 is a promising material with microwave absorption performance due to its high dielectric properties and low density. However, pure MoS2 is non-magnetic and has a bad impedance matching characteristic. In this study we prepared the Ni/MoS2 nanocomposites by cladding the MoS2 micrometer slices with magnetic Ni nanoparticles. Our results show that the microwave absorption properties of Ni/MoS2 nanocomposites have been improved obviously compared with the pure MoS2. Because of the introduction of Ni particles, the permeability of the nanocomposites has been turned from one to a complex, indicating a newly added magnetic loss. Meanwhile, the big gap between the permittivity and permeability of the Ni/MoS2 nanocomposites has been properly narrowed, which suggests an improved impedance matching. Moreover, the dielectric Cole-Cole semicircle shows that there are more Debye relaxation processes for the Ni/MoS2 nanocomposites, which further enhances the dielectric loss. Due to its improved electromagnetic properties, the minimum reflection loss (RL) value of the Ni/MoS2 nanocomposites with 60 wt % loading reaches -55 dB and the absorption bandwidth (<-10 dB) is up to 4.0 GHz (10.8-14.8 GHz) with a matching thickness of 1.5 mm. The results provide an excellent candidate for microwave absorbing materials with a broad effective absorption bandwidth at thin thicknesses.

  10. Microstructure and wear characterization of self-lubricating Al2O3 - MoS2 composite ceramic coatings

    International Nuclear Information System (INIS)

    Koshkarian, K.A.; Kriven, W.M.

    1989-01-01

    The authors report the results of composite ceramic coatings of alumina Al 2 O 3 containing some molybdenum disulfide MoS 2 electro-codeposited on to Al metal substrates by a combination of anodic sparks deposition of Al 2 O 3 and electrophoresis of MoS 2 . The microstructures were characterized by XRD, XPS, SEM, EDS, SNMS, TEM, SAD and relative wear resistance measurements. The coatings consisted mostly of Al 2 O 3 with some and present as well. The coatings were porous and microcracked. SEM showed them to consist of circular splats which had rapidly crystallized from the molten state in areas of dielectric breakdown in the coating. In the TEM the microstructure was seen to contain sets of parallel, elongated grains having a single crystallographic orientation. The grains were separated by dislocated, low angle grain boundaries or microcracks. The sets intersected at irregularly curved interfaces and were mechanically interlocked. Quantitative SNMS indicated that up to 26 wt% MoS 2 was incorporated in coatings fabricated from 5g/1 solutions. SEM/EDS as well as TEM/SAD/EDS identified 1-3 μ particles of MoS 2 incorporated into the 5g/1 solution derived coatings. These coatings exhibited 50% lower wear rate than pure alumina coatings deposited under the same condition

  11. MoS2 /Rubrene van der Waals Heterostructure: Toward Ambipolar Field-Effect Transistors and Inverter Circuits.

    Science.gov (United States)

    He, Xuexia; Chow, WaiLeong; Liu, Fucai; Tay, BengKang; Liu, Zheng

    2017-01-01

    2D transition metal dichalcogenides are promising channel materials for the next-generation electronic device. Here, vertically 2D heterostructures, so called van der Waals solids, are constructed using inorganic molybdenum sulfide (MoS 2 ) few layers and organic crystal - 5,6,11,12-tetraphenylnaphthacene (rubrene). In this work, ambipolar field-effect transistors are successfully achieved based on MoS 2 and rubrene crystals with the well balanced electron and hole mobilities of 1.27 and 0.36 cm 2 V -1 s -1 , respectively. The ambipolar behavior is explained based on the band alignment of MoS 2 and rubrene. Furthermore, being a building block, the MoS 2 /rubrene ambipolar transistors are used to fabricate CMOS (complementary metal oxide semiconductor) inverters that show good performance with a gain of 2.3 at a switching threshold voltage of -26 V. This work paves a way to the novel organic/inorganic ultrathin heterostructure based flexible electronics and optoelectronic devices. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Synthesis of rambutan-like MoS2/mesoporous carbon spheres nanocomposites with excellent performance for supercapacitors

    Science.gov (United States)

    Zhang, Shouchuan; Hu, Ruirui; Dai, Peng; Yu, Xinxin; Ding, Zongling; Wu, Mingzai; Li, Guang; Ma, Yongqing; Tu, Chuanjun

    2017-02-01

    A novel rambutan-like composite of MoS2/mesoporous carbon spheres were synthesized by a simple two-step hydrothermal and post-annealing approach via using glucose as C source and Na2MoO4·2H2O and thiourea as Mo and S sources. It is found that the morphology and electrochemical properties can be effectively controlled by the change of the weight ratio of coated MoS2 sheets to carbon spheres. When used as electrode material for supercapacitor, the hybrid MoS2/carbon spheres show a high specific capacity of 411 F/g at a current density of 1 A/g and 272 F/g at a high discharge current density of 10 A/g. The annealing treatment at 700 °C transformed the core carbon spheres into mesoporous ones, which served as the conduction network and favor the enhancement of the specific capacitance. In addition, the strain released during the charge/discharge process can be accommodated and the structural integrity can be kept, improving the cycling life. After 1000 cycles, the capacitance retention of the hybrid MoS2/carbon spheres is 93.2%.

  13. Efficient visible-light photocatalytic and enhanced photocorrosion inhibition of Ag2WO4 decorated MoS2 nanosheets

    Science.gov (United States)

    Thangavel, Sakthivel; Thangavel, Srinivas; Raghavan, Nivea; Alagu, Raja; Venugopal, Gunasekaran

    2017-11-01

    The use of two-dimensional nanomaterials as co-catalysts in the photodegradation of toxic compounds using light irradiation is an attractive ecofriendly process. In this study, we prepared a novel MoS2/Ag2WO4 nanohybrid via a one-step hydrothermal approach and the photocatalytic properties were investigated by the degradation of methyl-orange under stimulated irradiation. The nanohybrid exhibits enhanced efficiency in dye degradation compared to the bare Ag2WO4 nanorods; the same has been evidently confirmed with UV-visible spectra and total organic carbon removal analysis. The pseudo-first order rate constant of the nanohybrid is nearly 1.8 fold higher than that of the bare Ag2WO4 nanorods. With the aid of classical radical quenching and photoluminescence spectral analysis, a reasonable mechanism has been derived for the addition of MoS2 to nanohybrids to enhance the photocatalytic efficiency. MoS2 prevents photocorrosion of Ag2WO4 and also diminishes the number of photogenerated electron-hole recombination. Our findings could provide new insights in understanding the mechanism of the MoS2/Ag2WO4 nanohybrid as an efficient photocatalyst suitable for waste-water treatment and remedial applications.

  14. Field-Induced Superconductivity in MoS2 (Retracted article. See vol. 27, pg. 2645, 2014)

    NARCIS (Netherlands)

    Ye, J. T.; Zhang, Y. J.; Yoshida, M.; Saito, Y.; Iwasa, Y.

    Semiconducting TMDs are nowadays attracting great interest after the invention of the so-called "Scotch-tape method" established in graphene research. Semiconducting TMDs are front-runners of "post graphene" materials for their finite band gap crucial for device applications. MoS2 is the most widely

  15. First principles study of optical properties of molybdenum disulfide: From bulk to monolayer

    Science.gov (United States)

    Hieu, Nguyen N.; Ilyasov, Victor V.; Vu, Tuan V.; Poklonski, Nikolai A.; Phuc, Huynh V.; Phuong, Le T. T.; Hoi, Bui D.; Nguyen, Chuong V.

    2018-03-01

    In this paper, we theoretically study the optical properties of both bulk and monolayer MoS2 using first-principles calculations. The optical characters such as: dielectric function, optical reflectivity, and electron energy-loss spectrum of MoS2 are observed in the energy region from 0 to 15 eV. At equilibrium state the dielectric constant in the parallel E∥ x and perpendicular E∥ z directions are of 15.01 and 8.92 for bulk while they are 4.95 and 2.92 for monolayer MoS2, respectively. In the case of bulk MoS2, the obtained computational results for both real and imaginary parts of the dielectric constant are in good agreement with the previous experimental data. In the energy range from 0 to 6 eV, the dielectric functions have highly anisotropic, whereas they become isotropic when the energy is larger than 7 eV. For the adsorption spectra and optical reflectivity, both the collective plasmon resonance and (π + σ) electron plasmon peaks are observed, in which the transition in E∥ x direction is accordant with the experiment data more than the transition in E∥ z direction is. The refractive index, extinction index, and electron energy-loss spectrum are also investigated. The observed prominent peak at 23.1 eV in the energy-loss spectra is in good agreement with experiment value. Our results may provide a useful potential application for the MoS2 structures in electronic and optoelectronic devices.

  16. Electrochemiluminescent graphene quantum dots enhanced by MoS2 as sensing platform: a novel molecularly imprinted electrochemiluminescence sensor for 2-methyl-4-chlorophenoxyacetic acid assay

    International Nuclear Information System (INIS)

    Yang, Yukun; Fang, Guozhen; Wang, Xiaomin; Zhang, Fuyuan; Liu, Jingmin; Zheng, Wenjie; Wang, Shuo

    2017-01-01

    Highlights: • Electrochemiluminescent MoS 2 -GQDs nanocomposite was fabricated for the first time. • MoS 2 -GQDs hybrid nanocomposite was used as ECL sensing platform. • Molecularly imprinted ECL sensor was fabricated for the determination of MCPA. • MoS 2 -GQDs nanocomposite may advance the developments of ECL sensor. - Abstract: The ECL properties and application of a novel luminescent material molybdenum disulfide-graphene quantum dots (MoS 2 -GQDs) hybrid nanocomposite was reported for the first time. The hybridization of MoS 2 and GQDs endowed nanocomposite with structural and compositional advantages for boosting the ECL performance of GQDs. Impressively, the ECL could be remarkable enhanced using MoS 2 -GQDs hybrid nanocomposite, which was ∼13, ∼185 and ∼596-folds larger than the ECL intensity of GQDs, MoS 2 modified electrodes and bare electrode, respectively. Subsequently, as a sensing platform, the MoS 2 -GQDs hybrid nanocomposite was applied to fabricate molecularly imprinted electrochemiluminescence sensor for the ultrasensitive and selective determination of 2-methyl-4-chlorophenoxyacetic acid. Under optimal conditions, the detection limit of the prepared sensor was 5.5 pmol L −1 (S/N = 3) within a linear concentration range of 10 pmol L −1 –0.1 μmol L −1 . The developped sensor exhibited high sensitivity, good selectivity, reproducibility and stability, suggesting the potential for detecting pesticides and veterinary drugs at trace levels in food safety and environmental control.

  17. Quantitative analysis of trap states through the behavior of the sulfur ions in MoS2 FETs following high vacuum annealing

    Science.gov (United States)

    Bae, Hagyoul; Jun, Sungwoo; Kim, Choong-Ki; Ju, Byeong-Kwon; Choi, Yang-Kyu

    2018-03-01

    Few-layer molybdenum disulfide (MoS2) has attracted a great deal of attention as a semiconductor material for electronic and optoelectronic devices. However, the presence of localized states inside the bandgap is a critical issue that must be addressed to improve the applicability of MoS2 technology. In this work, we investigated the density of states (DOS: g(E)) inside the bandgap of MoS2 FET by using a current-voltage (I-V) analysis technique with the aid of high vacuum annealing (HVA). The g(E) can be obtained by combining the trap density and surface potential (ψ S) extracted from a consistent subthreshold current (I D-sub). The electrical performance of MoS2 FETs is strongly dependent on the inherent defects, which are closely related to the g(E) in the MoS2 active layer. By applying the proposed technique to the MoS2 FETs, we were able to successfully characterize the g(E) after stabilization of the traps by the HVA, which reduces the hysteresis distorting the intrinsic g(E). Also, the change of sulfur ions in MoS2 film before and after the HVA treatment is investigated directly by Auger electron spectroscopy analysis. The proposed technique provides a new methodology for active channel engineering of 2D channel based FETs such as MoS2, MoTe2, WSe2, and WS2.

  18. Janus monolayers of transition metal dichalcogenides

    KAUST Repository

    Lu, Ang-Yu

    2017-05-15

    Structural symmetry-breaking plays a crucial role in determining the electronic band structures of two-dimensional materials. Tremendous efforts have been devoted to breaking the in-plane symmetry of graphene with electric fields on AB-stacked bilayers or stacked van der Waals heterostructures. In contrast, transition metal dichalcogenide monolayers are semiconductors with intrinsic in-plane asymmetry, leading to direct electronic bandgaps, distinctive optical properties and great potential in optoelectronics. Apart from their in-plane inversion asymmetry, an additional degree of freedom allowing spin manipulation can be induced by breaking the out-of-plane mirror symmetry with external electric fields or, as theoretically proposed, with an asymmetric out-of-plane structural configuration. Here, we report a synthetic strategy to grow Janus monolayers of transition metal dichalcogenides breaking the out-of-plane structural symmetry. In particular, based on a MoS2 monolayer, we fully replace the top-layer S with Se atoms. We confirm the Janus structure of MoSSe directly by means of scanning transmission electron microscopy and energy-dependent X-ray photoelectron spectroscopy, and prove the existence of vertical dipoles by second harmonic generation and piezoresponse force microscopy measurements.

  19. Changes in the composition, structure and friction property of sputtered MoS2 films by LEO environment exposure

    International Nuclear Information System (INIS)

    Gao, Xiaoming; Hu, Ming; Sun, Jiayi; Fu, Yanlong; Yang, Jun; Liu, Weimin; Weng, Lijun

    2015-01-01

    Highlights: • Sputtered MoS 2 films were exposed in real low earth orbit (LEO) environment. • LEO exposure resulted in the oxidation and S loss of MoS 2 film surface. • Depth affected by the LEO exposure was limited within 10 nm. • The exposed MoS 2 film exhibited a slight increase in friction coefficient at initial sliding stage. - Abstract: Radio frequency-sputtered MoS 2 films had been exposed for 43.5 h in real low earth orbit (LEO) space environment by a space environment exposure device (SEED) aboard China Shenzhou-7 manned spaceship. The composition, morphology, phase structure and friction property of the exposed films were investigated using X-ray photoelectron spectroscope (XPS), X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), X-ray energy-dispersive spectroscopy (EDS) and ball-on-disk tribometer. XRD and EDS results revealed that the as-deposited MoS 2 films were characterized by a MoS x O y phase structure, in which x and y values were determined to be ∼0.65 and 1.24, respectively. XPS analysis revealed that due to space atomic oxygen attack, the film surface was oxidized to MoO 3 and MoS x O y with higher O concentration, while the partial S was lost. However, the affected depth was restricted within the surface layer because of protective function of the oxidation layer. As a result, the friction coefficient only exhibited a slight increase at initial stage of sliding friction

  20. Impact of Reduced Graphene Oxide on MoS2 Grown by Sulfurization of Sputtered MoO3 and Mo Precursor Films (Postprint)

    Science.gov (United States)

    2016-05-26

    1,2 intercalation assisted exfoliation,8–11 physical vapor deposition (PVD),12,13 and a wet chemistry approach involving thermal decomposition of a... annealed MoO3, MoS2 films S1 (MoS2 using Mo precursor), S2 (MoS2 using MoO3 precursor), S1r (MoS2 using Mo pre- cursor and rGO), and S2r (MoS2 using...MoO3 precursor and rGO). The annealed MoO3 (a) shows Mo(IV) peaks which are indicative of MoO2, and Mo(VI) peaks that occur when MoO3 is present. Both

  1. Synthesis of MoS_2/g-C_3N_4 nanosheets as 2D heterojunction photocatalysts with enhanced visible light activity

    International Nuclear Information System (INIS)

    Li, Juan; Liu, Enzhou; Ma, Yongning; Hu, Xiaoyun; Wan, Jun; Sun, Lin; Fan, Jun

    2016-01-01

    Graphical abstract: TEM image and schematic diagram of photocatalytic mechanism of 2D MoS_2/g-C_3N_4 composites. - Highlights: • g-C_3N_4 nanosheets coupled with MoS_2 nanosheets as 2D heterojunction photocatalysts were synthesized successfully. • The 2D MoS_2/g-C_3N_4 heterojunctions show higher photocatalytic activity than pure g-C_3N_4. • The photocatalytic mechanism of the 2D MoS_2/g-C_3N_4 heterojunction was described. - Abstract: g-C_3N_4 nanosheets coupled with MoS_2 nanosheets as 2D heteroconjuction were prepared via a facile impregnation and calcination method. The structure characterization clearly indicated that MoS_2 nanosheets were successfully horizontal loaded on g-C_3N_4 nanosheets. The investigation indicated that the formation of 2D heterojunction between the g-C_3N_4 nanosheets and MoS_2 nanosheets promoted the charge transfer and enhanced separation efficiency of photoinduced electron–hole pairs. Furthermore, the measurement of photocatalytic activity for the degradation of rhodamine B and methyl orange revealed that the as-prepared 2D MoS_2/g-C_3N_4 heterojunction exhibited the significantly enhanced photocatalytic activity and considerable stability under visible light irradiation. The 2D MoS_2/g-C_3N_4 heterojunction prepared with 3 wt% of MoS_2 exhibited the optimal photodegradable efficiency. The present work shows that the formation of 2D heterojunction should be a good strategy to design efficient photocatalysts.

  2. Preparation of MoS2/TiO2 based nanocomposites for photocatalysis and rechargeable batteries: progress, challenges, and perspective.

    Science.gov (United States)

    Chen, Biao; Meng, Yuhuan; Sha, Junwei; Zhong, Cheng; Hu, Wenbin; Zhao, Naiqin

    2017-12-21

    The rapidly increasing severity of the energy crisis and environmental degradation are stimulating the rapid development of photocatalysts and rechargeable lithium/sodium ion batteries. In particular, MoS 2 /TiO 2 based nanocomposites show great potential and have been widely studied in the areas of both photocatalysis and rechargeable lithium/sodium ion batteries due to their superior combination properties. In addition to the low-cost, abundance, and high chemical stability of both MoS 2 and TiO 2 , MoS 2 /TiO 2 composites also show complementary advantages. These include the strong optical absorption of TiO 2 vs. the high catalytic activity of MoS 2 , which is promising for photocatalysis; and excellent safety and superior structural stability of TiO 2 vs. the high theoretic specific capacity and unique layered structure of MoS 2 , thus, these composites are exciting as anode materials. In this review, we first summarize the recent progress in MoS 2 /TiO 2 -based nanomaterials for applications in photocatalysis and rechargeable batteries. We highlight the synthesis, structure and mechanism of MoS 2 /TiO 2 -based nanomaterials. Then, advancements and strategies for improving the performance of these composites in photocatalytic degradation, hydrogen evolution, CO 2 reduction, LIBs and SIBs are critically discussed. Finally, perspectives on existing challenges and probable opportunities for future exploration of MoS 2 /TiO 2 -based composites towards photocatalysis and rechargeable batteries are presented. We believe the present review would provide enriched information for a deeper understanding of MoS 2 /TiO 2 composites and open avenues for the rational design of MoS 2 /TiO 2 based composites for energy and environment-related applications.

  3. Mechanistic Insight into the Stability of HfO2-Coated MoS2 Nanosheet Anodes for Sodium Ion Batteries

    KAUST Repository

    Ahmed, Bilal

    2015-06-01

    It is demonstrated for the first time that surface passivation of 2D nanosheets of MoS2 by an ultrathin and uniform layer of HfO2 can significantly improve the cyclic performance of sodium ion batteries. After 50 charge/discharge cycles, bare MoS2 and HfO2 coated MoS2 electrodes deliver the specific capacity of 435 and 636 mAh g-1, respectively, at current density of 100 mA g-1. These results imply that batteries using HfO2 coated MoS2 anodes retain 91% of the initial capacity; in contrast, bare MoS2 anodes retain only 63%. Also, HfO2 coated MoS2 anodes show one of the highest reported capacity values for MoS2. Cyclic voltammetry and X-ray photoelectron spectroscopy results suggest that HfO2 does not take part in electrochemical reaction. The mechanism of capacity retention with HfO2 coating is explained by ex situ transmission electron microscope imaging and electrical impedance spectroscopy. It is illustrated that HfO2 acts as a passivation layer at the anode/electrolyte interface and prevents structural degradation during charge/discharge process. Moreover, the amorphous nature of HfO2 allows facile diffusion of Na ions. These results clearly show the potential of HfO2 coated MoS2 anodes, which performance is significantly higher than previous reports where bulk MoS2 or composites of MoS2 with carbonaceous materials are used. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Facile one-pot synthesis of CoS_2-MoS_2/CNTs as efficient electrocatalyst for hydrogen evolution reaction

    International Nuclear Information System (INIS)

    Liu, Yan-Ru; Hu, Wen-Hui; Li, Xiao; Dong, Bin; Shang, Xiao; Han, Guan-Qun; Chai, Yong-Ming; Liu, Yun-Qi; Liu, Chen-Guang

    2016-01-01

    Highlights: • Ternary hybrid CoS_2-MoS_2/CNTs electrocatalysts have been prepared. • CNTs as support may provide good conductivity and low the agglomeration of MoS_2. • CoS_2 with intrinsic metallic conductivity may enhance the activity for HER. • Ternary CoS_2-MoS_2/CNTs have the better activity and stability for HER. - Abstract: Ternary hybrid cobalt disulfide-molybdenum disulfides supported on carbon nanotubes (CoS_2-MoS_2/CNTs) electrocatalysts have been prepared via a simple hydrothermal method. CNTs as support may provide good conductivity and low the agglomeration of layered MoS_2 structure. CoS_2 with intrinsic metallic conductivity may enhance the activity of the ternary hybrid electrocatalysts for hydrogen evolution reaction (HER). X-ray diffraction (XRD) data confirm the formation of ternary hybrid nanocomposites composed of CNTs, CoS_2 and amorphous MoS_2. Scanning electron microscopy (SEM) images show that strong combination between MoS_2, CNTs and regular orthohexagonal CoS_2 has been obtained. The dispersion of each component is good and no obvious agglomeration can be observed. It is found that compared with CoS_2/CNTs and MoS_2/CNTs, the ternary CoS_2-MoS_2/CNTs have the better activity for HER with a low onset potential of 70 mV (vs. RHE) and a small Talel slope of 67 mV dec"−"1, and are extremely stable after 1000 cycles. In addition, the optimal doping ratio of Co to Mo is 2:1, which have better HER activity. It is proved that the introduction of carbon materials and Co atoms could improve the performances of MoS_2-based electrocatalysts for HER.

  5. Mechanistic Insight into the Stability of HfO2-Coated MoS2 Nanosheet Anodes for Sodium Ion Batteries

    KAUST Repository

    Ahmed, Bilal; Anjum, Dalaver H.; Hedhili, Mohamed N.; Alshareef, Husam N.

    2015-01-01

    It is demonstrated for the first time that surface passivation of 2D nanosheets of MoS2 by an ultrathin and uniform layer of HfO2 can significantly improve the cyclic performance of sodium ion batteries. After 50 charge/discharge cycles, bare MoS2 and HfO2 coated MoS2 electrodes deliver the specific capacity of 435 and 636 mAh g-1, respectively, at current density of 100 mA g-1. These results imply that batteries using HfO2 coated MoS2 anodes retain 91% of the initial capacity; in contrast, bare MoS2 anodes retain only 63%. Also, HfO2 coated MoS2 anodes show one of the highest reported capacity values for MoS2. Cyclic voltammetry and X-ray photoelectron spectroscopy results suggest that HfO2 does not take part in electrochemical reaction. The mechanism of capacity retention with HfO2 coating is explained by ex situ transmission electron microscope imaging and electrical impedance spectroscopy. It is illustrated that HfO2 acts as a passivation layer at the anode/electrolyte interface and prevents structural degradation during charge/discharge process. Moreover, the amorphous nature of HfO2 allows facile diffusion of Na ions. These results clearly show the potential of HfO2 coated MoS2 anodes, which performance is significantly higher than previous reports where bulk MoS2 or composites of MoS2 with carbonaceous materials are used. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Fabrication of Z-scheme Ag3PO4/MoS2 composites with enhanced photocatalytic activity and stability for organic pollutant degradation

    International Nuclear Information System (INIS)

    Zhu, Chaosheng; Zhang, Lu; Jiang, Bo; Zheng, Jingtang; Hu, Ping; Li, Sujuan; Wu, Mingbo; Wu, Wenting

    2016-01-01

    Highlights: • Ag 3 PO 4 /MoS 2 composite photocatalysts were prepared by precipitation method. • The composites showed enhanced visible-light photocatalytic activity. • The photocorrosion of Ag 3 PO 4 was inhibited due to the introduction of MoS 2 . • Z-scheme mechanism was proposed to explain the enhanced photoactivity. - Abstract: In this study, highly efficient visible-light-driven Ag 3 PO 4 /MoS 2 composite photocatalysts with different weight ratios of MoS 2 were prepared via the ethanol-water mixed solvents precipitation method and characterized by ICP, XRD, HRTEM, FE-SEM, BET, XPS, UV–vis DRS and PL analysis. Under visible-light irradiation, Ag 3 PO 4 /MoS 2 composites exhibit excellent photocatalytic activity towards the degradation of organic pollutants in aqueous solution. The optimal composite with 0.648 wt% MoS 2 content exhibits the highest photocatalytic activity, which can degrade almost all MB under visible-light irradiation within 60 min. Recycling experiments confirmed that the Ag 3 PO 4 /MoS 2 catalysts had superior cycle performance and stability. The photocatalytic activity enhancement of Ag 3 PO 4 /MoS 2 photocatalysts can be mainly ascribed to the efficient separation of photogenerated charge carriers and the stronger oxidation and reduction ability through a Z-scheme system composed of Ag 3 PO 4 , Ag and MoS 2 , in which Ag particles act as the charge separation center. The high photocatalytic stability is due to the successful inhibition of the photocorrosion of Ag 3 PO 4 by transferring the photogenerated electrons of Ag 3 PO 4 to MoS 2 . The evidence of the Z-scheme photocatalytic mechanism of the composite photocatalysts could be obtained from the active species trapping experiments and the photoluminescence technique.

  7. Type-I band alignment at MoS2/In0.15Al0.85N lattice matched heterojunction and realization of MoS2 quantum well

    KAUST Repository

    Tangi, Malleswarara

    2017-08-31

    The valence and conduction band offsets (VBO and CBO) at the semiconductor heterojunction are crucial parameters to design the active region of contemporary electronic and optoelectronic devices. In this report, to study the band alignment parameters at the In0.15Al0.85N/MoS2 lattice matched heterointerface, large area MoS2 single layers are chemical vapor deposited on molecular beam epitaxial grown In0.15Al0.85N films and vice versa. We grew InAlN having an in-plane lattice parameter closely matching with that of MoS2. We confirm that the grown MoS2 is a single layer from optical and structural analyses using micro-Raman spectroscopy and scanning transmission electron microscopy. The band offset parameters VBO and CBO at the In0.15Al0.85N/MoS2 heterojunction are determined to be 2.08 ± 0.15 and 0.60 ± 0.15 eV, respectively, with type-I band alignment using high-resolution x-ray photoelectron spectroscopy in conjunction with ultraviolet photoelectron spectroscopy. Furthermore, we design a MoS2 quantum well structure by growing an In0.15Al0.85N layer on MoS2/In0.15Al0.85N type-I heterostructure. By reducing the nitrogen plasma power and flow rate for the overgrown In0.15Al0.85N layers, we achieve unaltered structural properties and a reasonable preservation of photoluminescence intensity with a peak width of 70 meV for MoS2 quantum well (QW). The investigation provides a pathway towards realizing large area, air-stable, lattice matched, and eventual high efficiency In0.15Al0.85N/MoS2/In0.15Al0.85N QW-based light emitting devices.

  8. High-Current Gain Two-Dimensional MoS 2 -Base Hot-Electron Transistors

    KAUST Repository

    Torres, Carlos M.

    2015-12-09

    The vertical transport of nonequilibrium charge carriers through semiconductor heterostructures has led to milestones in electronics with the development of the hot-electron transistor. Recently, significant advances have been made with atomically sharp heterostructures implementing various two-dimensional materials. Although graphene-base hot-electron transistors show great promise for electronic switching at high frequencies, they are limited by their low current gain. Here we show that, by choosing MoS2 and HfO2 for the filter barrier interface and using a noncrystalline semiconductor such as ITO for the collector, we can achieve an unprecedentedly high-current gain (α ∼ 0.95) in our hot-electron transistors operating at room temperature. Furthermore, the current gain can be tuned over 2 orders of magnitude with the collector-base voltage albeit this feature currently presents a drawback in the transistor performance metrics such as poor output resistance and poor intrinsic voltage gain. We anticipate our transistors will pave the way toward the realization of novel flexible 2D material-based high-density, low-energy, and high-frequency hot-carrier electronic applications. © 2015 American Chemical Society.

  9. Robust Stacking-Independent Ultrafast Charge Transfer in MoS2/WS2 Bilayers.

    Science.gov (United States)

    Ji, Ziheng; Hong, Hao; Zhang, Jin; Zhang, Qi; Huang, Wei; Cao, Ting; Qiao, Ruixi; Liu, Can; Liang, Jing; Jin, Chuanhong; Jiao, Liying; Shi, Kebin; Meng, Sheng; Liu, Kaihui

    2017-12-26

    Van der Waals-coupled two-dimensional (2D) heterostructures have attracted great attention recently due to their high potential in the next-generation photodetectors and solar cells. The understanding of charge-transfer process between adjacent atomic layers is the key to design optimal devices as it directly determines the fundamental response speed and photon-electron conversion efficiency. However, general belief and theoretical studies have shown that the charge transfer behavior depends sensitively on interlayer configurations, which is difficult to control accurately, bringing great uncertainties in device designing. Here we investigate the ultrafast dynamics of interlayer charge transfer in a prototype heterostructure, the MoS 2 /WS 2 bilayer with various stacking configurations, by optical two-color ultrafast pump-probe spectroscopy. Surprisingly, we found that the charge transfer is robust against varying interlayer twist angles and interlayer coupling strength, in time scale of ∼90 fs. Our observation, together with atomic-resolved transmission electron characterization and time-dependent density functional theory simulations, reveals that the robust ultrafast charge transfer is attributed to the heterogeneous interlayer stretching/sliding, which provides additional channels for efficient charge transfer previously unknown. Our results elucidate the origin of transfer rate robustness against interlayer stacking configurations in optical devices based on 2D heterostructures, facilitating their applications in ultrafast and high-efficient optoelectronic and photovoltaic devices in the near future.

  10. Ultrafast carrier thermalization and cooling dynamics in few-layer MoS2.

    Science.gov (United States)

    Nie, Zhaogang; Long, Run; Sun, Linfeng; Huang, Chung-Che; Zhang, Jun; Xiong, Qihua; Hewak, Daniel W; Shen, Zexiang; Prezhdo, Oleg V; Loh, Zhi-Heng

    2014-10-28

    Femtosecond optical pump-probe spectroscopy with 10 fs visible pulses is employed to elucidate the ultrafast carrier dynamics of few-layer MoS2. A nonthermal carrier distribution is observed immediately following the photoexcitation of the A and B excitonic transitions by the ultrashort, broadband laser pulse. Carrier thermalization occurs within 20 fs and proceeds via both carrier-carrier and carrier-phonon scattering, as evidenced by the observed dependence of the thermalization time on the carrier density and the sample temperature. The n(-0.37 ± 0.03) scaling of the thermalization time with carrier density suggests that equilibration of the nonthermal carrier distribution occurs via non-Markovian quantum kinetics. Subsequent cooling of the hot Fermi-Dirac carrier distribution occurs on the ∼ 0.6 ps time scale via carrier-phonon scattering. Temperature- and fluence-dependence studies reveal the involvement of hot phonons in the carrier cooling process. Nonadiabatic ab initio molecular dynamics simulations, which predict carrier-carrier and carrier-phonon scattering time scales of 40 fs and 0.5 ps, respectively, lend support to the assignment of the observed carrier dynamics.

  11. Nonlocal plasmonic response of doped and optically pumped graphene, MoS2, and black phosphorus

    Science.gov (United States)

    Petersen, René; Pedersen, Thomas Garm; Javier García de Abajo, F.

    2017-11-01

    Plasmons in two-dimensional (2D) materials have emerged as a new source of physical phenomena and optoelectronic applications due in part to the relatively small number of charge carriers on which they are supported. Unlike conventional plasmonic materials, they possess a large Fermi wavelength, which can be comparable with the plasmon wavelength, thus leading to unusually strong nonlocal effects. Here, we study the optical response of a selection of 2D crystal layers (graphene, MoS2, and black phosphorus) with inclusion of nonlocal and thermal effects. We extensively analyze their plasmon dispersion relations and focus on the Purcell factor for the decay of an optical emitter in close proximity to the material as a way to probe nonlocal and thermal effects, with emphasis placed on the interplay between temperature and doping. The results are based on tight-binding modeling of the electronic structure combined with the random-phase approximation response function in which the temperature enters through the Fermi-Dirac electronic occupation distribution. Our study provides a route map for the exploration and exploitation of the ultrafast optical response of 2D materials.

  12. Force and light tuning vertical tunneling current in the atomic layered MoS2.

    Science.gov (United States)

    Li, Feng; Lu, Zhixing; Lan, Yann-Wen; Jiao, Liying; Xu, Minxuan; Zhu, Xiaoyang; Zhang, Xiankun; Wu, Hualin; Qi, Junjie

    2018-07-06

    In this work, the vertical electrical transport behavior of bilayer MoS 2 under the coupling of force and light was explored by the use of conductive atomic force microscopy. We found that the current-voltage behavior across the tip-MoS 2 -Pt junction is a tunneling current that can be well fitted by a Simmons approximation. The transport behavior is direct tunneling at low bias and Fowler-Nordheim tunneling at high bias, and the transition voltage and tunnel barrier height are extracted. The effect of force and light on the effective band gap of the junction is investigated. Furthermore, the source-drain current drops surprisingly when we continually increase the force, and the dropping point is altered by the provided light. This mechanism is responsible for the tuning of tunneling barrier height and width by force and light. These results provide a new way to design devices that take advantage of ultrathin two-dimensional materials. Ultrashort channel length electronic components that possess tunneling current are important for establishing high-efficiency electronic and optoelectronic systems.

  13. High-Current Gain Two-Dimensional MoS 2 -Base Hot-Electron Transistors

    KAUST Repository

    Torres, Carlos M.; Lan, Yann Wen; Zeng, Caifu; Chen, Jyun Hong; Kou, Xufeng; Navabi, Aryan; Tang, Jianshi; Montazeri, Mohammad; Adleman, James R.; Lerner, Mitchell B.; Zhong, Yuan Liang; Li, Lain-Jong; Chen, Chii Dong; Wang, Kang L.

    2015-01-01

    The vertical transport of nonequilibrium charge carriers through semiconductor heterostructures has led to milestones in electronics with the development of the hot-electron transistor. Recently, significant advances have been made with atomically sharp heterostructures implementing various two-dimensional materials. Although graphene-base hot-electron transistors show great promise for electronic switching at high frequencies, they are limited by their low current gain. Here we show that, by choosing MoS2 and HfO2 for the filter barrier interface and using a noncrystalline semiconductor such as ITO for the collector, we can achieve an unprecedentedly high-current gain (α ∼ 0.95) in our hot-electron transistors operating at room temperature. Furthermore, the current gain can be tuned over 2 orders of magnitude with the collector-base voltage albeit this feature currently presents a drawback in the transistor performance metrics such as poor output resistance and poor intrinsic voltage gain. We anticipate our transistors will pave the way toward the realization of novel flexible 2D material-based high-density, low-energy, and high-frequency hot-carrier electronic applications. © 2015 American Chemical Society.

  14. Controllable Synthesis of Band Gap-Tunable and Monolayer Transition Metal Dichalcogenide Alloys

    Directory of Open Access Journals (Sweden)

    Sheng-Han eSu

    2014-07-01

    Full Text Available The electronic and optical properties of transition metal dichalcogenide (TMD materials are directly governed by their energy gap; thus, the band gap engineering has become an important topic recently. Theoretical and some experimental results have indicated that these monolayer TMD alloys exhibit direct-gap properties and remain stable at room temperature, making them attractive for optoelectronic applications. Here we systematically compared the two approaches of forming MoS2xSe2(1-x monolayer alloys: selenization of MoS2 and sulfurization of MoSe2. The optical energy gap of as-grown CVD MoS2 can be continuously modulated from 1.86 eV (667 nm to 1.57 eV (790 nm controllable by the reaction temperature. Spectroscopic and microscopic evidences show that the Mo-S bonds can be replaced by the Mo-Se bonds in a random and homogeneous manner. By contrast, the replacement of Mo-Se by Mo-S does not randomly occur in the MoSe2 lattice, where the reaction preferentially occurs along the crystalline orientation of MoSe2 and thus the MoSe2/MoS2 biphases are easily observed in the alloys, which makes the optical band gap of these alloys distinctly different. Therefore, the selenization of metal disulfide is preferred and the proposed synthetic strategy opens up a simple route to control the atomic structure as well as optical properties of monolayer TMD alloys.

  15. Raman enhancement effect on two-dimensional layered materials: graphene, h-BN and MoS2.

    Science.gov (United States)

    Ling, Xi; Fang, Wenjing; Lee, Yi-Hsien; Araujo, Paulo T; Zhang, Xu; Rodriguez-Nieva, Joaquin F; Lin, Yuxuan; Zhang, Jin; Kong, Jing; Dresselhaus, Mildred S

    2014-06-11

    Realizing Raman enhancement on a flat surface has become increasingly attractive after the discovery of graphene-enhanced Raman scattering (GERS). Two-dimensional (2D) layered materials, exhibiting a flat surface without dangling bonds, were thought to be strong candidates for both fundamental studies of this Raman enhancement effect and its extension to meet practical applications requirements. Here, we study the Raman enhancement effect on graphene, hexagonal boron nitride (h-BN), and molybdenum disulfide (MoS2), by using the copper phthalocyanine (CuPc) molecule as a probe. This molecule can sit on these layered materials in a face-on configuration. However, it is found that the Raman enhancement effect, which is observable on graphene, hBN, and MoS2, has different enhancement factors for the different vibrational modes of CuPc, depending strongly on the surfaces. Higher-frequency phonon modes of CuPc (such as those at 1342, 1452, 1531 cm(-1)) are enhanced more strongly on graphene than that on h-BN, while the lower frequency phonon modes of CuPc (such as those at 682, 749, 1142, 1185 cm(-1)) are enhanced more strongly on h-BN than that on graphene. MoS2 demonstrated the weakest Raman enhancement effect as a substrate among these three 2D materials. These differences are attributed to the different enhancement mechanisms related to the different electronic properties and chemical bonds exhibited by the three substrates: (1) graphene is zero-gap semiconductor and has a nonpolar C-C bond, which induces charge transfer (2) h-BN is insulating and has a strong B-N bond, while (3) MoS2 is semiconducting with the sulfur atoms on the surface and has a polar covalent bond (Mo-S) with the polarity in the vertical direction to the surface. Therefore, the different Raman enhancement mechanisms differ for each material: (1) charge transfer may occur for graphene; (2) strong dipole-dipole coupling may occur for h-BN, and (3) both charge transfer and dipole-dipole coupling may occur, although weaker in magnitude, for MoS2. Consequently, this work studied the origin of the Raman enhancement (specifically, chemical enhancement) and identifies h-BN and MoS2 as two different types of 2D materials with potential for use as Raman enhancement substrates.

  16. MoS2 quantum dots@TiO2 nanotube composites with enhanced photoexcited charge separation and high-efficiency visible-light driven photocatalysis

    Science.gov (United States)

    Zhao, Fenfen; Rong, Yuefei; Wan, Junmin; Hu, Zhiwen; Peng, Zhiqin; Wang, Bing

    2018-03-01

    MoS2 quantum dots (QDs) that are 5 nm in size were deposited on the surface of ultrathin TiO2 nanotubes (TNTs) with 5 nm wall thickness by using an improved hydrothermal method to form a MoS2 QDs@TNT visible-light photocatalyst. The ultrathin TNTs with high percentage of photocatalytic reactive facets were fabricated by the commercially available TiO2 nanoparticles (P25) through an improved hydrothermal method, and the MoS2 QDs were acquired by using a surfactant-assisted technique. The novel MoS2 QDs@TNT photocatalysts showed excellent photocatalytic activity with a decolorization rate of 92% or approximately 3.5 times more than that of pure TNTs for the high initial concentration of methylene blue solution (20 mg l-1) within 40 min under visible-light irradiation. MoS2 as the co-catalysts favored the broadening of TNTs into the visible-light absorption scope. The quantum confinement and edge effects of the MoS2 QDs and the heterojunction formed between the MoS2 QDs and TNTs efficiently extended the lifetime of photoinduced charges, impeded the recombination of photoexcited electron-hole pairs, and improved the visible-light-driven high-efficiency photocatalysis.

  17. Towards a uniform and large-scale deposition of MoS2 nanosheets via sulfurization of ultra-thin Mo-based solid films.

    Science.gov (United States)

    Vangelista, Silvia; Cinquanta, Eugenio; Martella, Christian; Alia, Mario; Longo, Massimo; Lamperti, Alessio; Mantovan, Roberto; Basset, Francesco Basso; Pezzoli, Fabio; Molle, Alessandro

    2016-04-29

    Large-scale integration of MoS2 in electronic devices requires the development of reliable and cost-effective deposition processes, leading to uniform MoS2 layers on a wafer scale. Here we report on the detailed study of the heterogeneous vapor-solid reaction between a pre-deposited molybdenum solid film and sulfur vapor, thus resulting in a controlled growth of MoS2 films onto SiO2/Si substrates with a tunable thickness and cm(2)-scale uniformity. Based on Raman spectroscopy and photoluminescence, we show that the degree of crystallinity in the MoS2 layers is dictated by the deposition temperature and thickness. In particular, the MoS2 structural disorder observed at low temperature (<750 °C) and low thickness (two layers) evolves to a more ordered crystalline structure at high temperature (1000 °C) and high thickness (four layers). From an atomic force microscopy investigation prior to and after sulfurization, this parametrical dependence is associated with the inherent granularity of the MoS2 nanosheet that is inherited by the pristine morphology of the pre-deposited Mo film. This work paves the way to a closer control of the synthesis of wafer-scale and atomically thin MoS2, potentially extendable to other transition metal dichalcogenides and hence targeting massive and high-volume production for electronic device manufacturing.

  18. Synthesis of MoS2 and MoO2 for their applications in H2 generation and lithium ion batteries: a review

    International Nuclear Information System (INIS)

    Zhao Yufei; Zhang Yuxia; Yang Zhiyu; Yan Yiming; Sun Kening

    2013-01-01

    Scientists increasingly witness the applications of MoS 2 and MoO 2 in the field of energy conversion and energy storage. On the one hand, MoS 2 and MoO 2 have been widely utilized as promising catalysts for electrocatalytic or photocatalytic hydrogen evolution in aqueous solution. On the other hand, MoS 2 and MoO 2 have also been verified as efficient electrode material for lithium ion batteries. In this review, the synthesis, structure and properties of MoS 2 and MoO 2 are briefly summarized according to their applications for H 2 generation and lithium ion batteries. Firstly, we overview the recent advancements in the morphology control of MoS 2 and MoO 2 and their applications as electrocatalysts for hydrogen evolution reactions. Secondly, we focus on the photo-induced water splitting for H 2 generation, in which MoS 2 acts as an important co-catalyst when combined with other semiconductor catalysts. The newly reported research results of the significant functions of MoS 2 nanocomposites in photo-induced water splitting are presented. Thirdly, we introduce the advantages of MoS 2 and MoO 2 for their enhanced cyclic performance and high capacity as electrode materials of lithium ion batteries. Recent key achievements in MoS 2 - and MoO 2 -based lithium ion batteries are highlighted. Finally, we discuss the future scope and the important challenges emerging from these fascinating materials. (review)

  19. Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer.

    Science.gov (United States)

    Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J

    2016-06-09

    Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack.

  20. 2 and 3 µm passively Q-switched bulk pulse laser based on a MoS2/graphene heterojunction

    Science.gov (United States)

    Wang, Xihu; Xu, Jinlong; Sun, Yijian; Feng, Wendou; You, Zhenyu; Sun, Dunlu; Tu, Chaoyang

    2018-01-01

    We report for the first time that a MoS2/graphene heterojunction can behave as a saturable absorber to realize 2 and 3 µm passively Q-switched bulk lasers. This heterojunction is prepared through a facile hydrothermal method. For the 2 µm laser, a stable pulse is obtained with a pulse duration of 473 ns, output power of 553 mW, pulse energy of 5.267 µJ and repetition rate of 105 kHz. For the 3 µm laser, a pulse duration of 355 ns is observed with an average output power of 112 mW and pulse energy of 0.889 µJ. These results indicate the great potential of MoS2/graphene heterojunctions for realizing mid-infrared pulse lasers.

  1. Few-layer MoS2-anchored graphene aerogel paper for free-standing electrode materials.

    Science.gov (United States)

    Lee, Wee Siang Vincent; Peng, Erwin; Loh, Tamie Ai Jia; Huang, Xiaolei; Xue, Jun Min

    2016-04-21

    To reduce the reliance on polymeric binders, conductive additives, and metallic current collectors during the electrode preparation process, as well as to assess the true performance of lithium ion battery (LIB) anodes, a free-standing electrode has to be meticulously designed. Graphene aerogel is a popular scaffolding material that has been widely used with embedded nanoparticles for application in LIB anodes. However, the current graphene aerogel/nanoparticle composite systems still involve decomposition into powder and the addition of additives during electrode preparation because of the thick aerogel structure. To further enhance the capacity of the system, MoS2 was anchored onto a graphene aerogel paper and the composite was used directly as an LIB anode. The resultant additive-free MoS2/graphene aerogel paper composite exhibited long cyclic performance with 101.1% retention after 700 cycles, which demonstrates the importance of free-standing electrodes in enhancing cyclic stability.

  2. Spectroscopy, microscopy and theoretical study of NO adsorption on MoS2 and Co-Mo-S hydrotreating catalysts

    DEFF Research Database (Denmark)

    Topsøe, Nan-Yu; Tuxen, Anders Kyrme; Hinnemann, Berit

    2011-01-01

    nfrared (IR) spectroscopy using NO as a probe molecule has been one of the important methods for characterizing hydrotreating catalysts, since this technique provides information on the nature and quantity of active edge sites of these catalysts. However, due to the strong adsorption of NO, which......) calculations, we present new atomic-scale insight into the nature of NO adsorption on MoS2 and Co-Mo-S nanoclusters. The DFT calculations and STM experiments show that NO does not adsorb at fully sulfided MoS2 edges not containing hydrogen. However, typical sulfided catalysts will have hydrogen present...... NO as a probe molecule to obtain detailed atomic-scale information on hydrotreating catalysts and the origins of activity differences. (C) 2011 Published by Elsevier Inc....

  3. Enhanced photoelectrochemical water splitting of BiVO4 photonic crystal photoanode by decorating with MoS2 nanosheets

    Science.gov (United States)

    Nan, Feng; Cai, Tianyi; Ju, Sheng; Fang, Liang

    2018-04-01

    Bismuth vanadate (BiVO4) has been considered as one of the promising Photoelectrochemical (PEC) photoanode materials. However, the performances remain poorly rated due to inefficient carrier separation, short carrier diffusion length, and sluggish water oxidation kinetics. Herein, a photoanode consisting of MoS2 nanosheet coating on the three-dimensional ordered BiVO4 inverse opal is fabricated by a facile combination of nanosphere lithography and hydrothermal methods. By taking advantage of the photonic crystal and two-dimensional material, the optimized MoS2/BiVO4 inverse opal photoanode exhibits a 560% improvement of the photocurrent density and threefold enhancement of the incident photon-to-current efficiency than that of the pristine BiVO4 film photoanode. Systematic studies reveal that the excellent PEC activity should be attributed to enhanced light harvesting and charge separation efficiency.

  4. Electronic properties of in-plane phase engineered 1T'/2H/1T' MoS2

    Science.gov (United States)

    Thakur, Rajesh; Sharma, Munish; Ahluwalia, P. K.; Sharma, Raman

    2018-04-01

    We present the first principles studies of semi-infinite phase engineered MoS2 along zigzag direction. The semiconducting (2H) and semi-metallic (1T') phases are known to be stable in thin-film MoS2. We described the electronic and structural properties of the infinite array of 1T'/2H/1T'. It has been found that 1T'phase induced semi-metallic character in 2H phase beyond interface but, only Mo atoms in 2H phase domain contribute to the semi-metallic nature and S atoms towards semiconducting state. 1T'/2H/1T' system can act as a typical n-p-n structure. Also high holes concentration at the interface of Mo layer provides further positive potential barriers.

  5. Monitoring the formation of inorganic fullerene-like MoS2 nanostructures by laser ablation in liquid environments

    International Nuclear Information System (INIS)

    Compagnini, Giuseppe; Sinatra, Marco G.; Messina, Gabriele C.; Patanè, Giacomo; Scalese, Silvia; Puglisi, Orazio

    2012-01-01

    Laser ablation of solid targets in liquid media is emerging as a simple, clean and reproducible way to generate a large number of intriguing nanometric structures with peculiar properties. In this work we present some results on the formation of MoS 2 fullerene-like nanoparticles (10-15 nm diameter) obtained by the ablation of crystalline targets in water. Such a top-down approach can be considered greener than standard sulphidization reactions and represents an intriguing single step procedure. The generation of the MoS 2 nanostructures is in competition with that of oxide clusters and strongly depends on the oxidative environment created by the plasma plume. The size, shape and crystalline phase of the obtained nanoparticles are studied by microscopy while X-Ray Photoelectron Spectroscopy is used to investigate the chemical state of produced nanostructures and to propose mechanisms for their growth.

  6. Polymer-Derived Ceramic Functionalized MoS2 Composite Paper as a Stable Lithium-Ion Battery Electrode

    Science.gov (United States)

    David, L.; Bhandavat, R.; Barrera, U.; Singh, G.

    2015-04-01

    A facile process is demonstrated for the synthesis of layered SiCN-MoS2 structure via pyrolysis of polysilazane functionalized MoS2 flakes. The layered morphology and polymer to ceramic transformation on MoS2 surfaces was confirmed by use of electron microscopy and spectroscopic techniques. Tested as thick film electrode in a Li-ion battery half-cell, SiCN-MoS2 showed the classical three-stage reaction with improved cycling stability and capacity retention than neat MoS2. Contribution of conversion reaction of Li/MoS2 system on overall capacity was marginally affected by the presence of SiCN while Li-irreversibility arising from electrolyte decomposition was greatly suppressed. This is understood as one of the reasons for decreased first cycle loss and increased capacity retention. SiCN-MoS2 in the form of self-supporting paper electrode (at 6 mg.cm-2) exhibited even better performance, regaining initial charge capacity of approximately 530 mAh.g-1 when the current density returned to 100 mA.g-1 after continuous cycling at 2400 mA.g-1 (192 mAh.g-1). MoS2 cycled electrode showed mud-cracks and film delamination whereas SiCN-MoS2 electrodes were intact and covered with a uniform solid electrolyte interphase coating. Taken together, our results suggest that molecular level interfacing with precursor-derived SiCN is an effective strategy for suppressing the metal-sulfide/electrolyte degradation reaction at low discharge potentials.

  7. Biotunable Nanoplasmonic Filter on Few-Layer MoS2 for Rapid and Highly Sensitive Cytokine Optoelectronic Immunosensing.

    Science.gov (United States)

    Park, Younggeun; Ryu, Byunghoon; Oh, Bo-Ram; Song, Yujing; Liang, Xiaogan; Kurabayashi, Katsuo

    2017-06-27

    Monitoring of the time-varying immune status of a diseased host often requires rapid and sensitive detection of cytokines. Metallic nanoparticle-based localized surface plasmon resonance (LSPR) biosensors hold promise to meet this clinical need by permitting label-free detection of target biomolecules. These biosensors, however, continue to suffer from relatively low sensitivity as compared to conventional immunoassay methods that involve labeling processes. Their response speeds also need to be further improved to enable rapid cytokine quantification for critical care in a timely manner. In this paper, we report an immunobiosensing device integrating a biotunable nanoplasmonic optical filter and a highly sensitive few-layer molybdenum disulfide (MoS 2 ) photoconductive component, which can serve as a generic device platform to meet the need of rapid cytokine detection with high sensitivity. The nanoplasmonic filter consists of anticytokine antibody-conjugated gold nanoparticles on a SiO 2 thin layer that is placed 170 μm above a few-layer MoS 2 photoconductive flake device. The principle of the biosensor operation is based on tuning the delivery of incident light to the few-layer MoS 2 photoconductive flake thorough the nanoplasmonic filter by means of biomolecular surface binding-induced LSPR shifts. The tuning is dependent on cytokine concentration on the nanoplasmonic filter and optoelectronically detected by the few-layer MoS 2 device. Using the developed optoelectronic biosensor, we have demonstrated label-free detection of IL-1β, a pro-inflammatory cytokine, with a detection limit as low as 250 fg/mL (14 fM), a large dynamic range of 10 6 , and a short assay time of 10 min. The presented biosensing approach could be further developed and generalized for point-of-care diagnosis, wearable bio/chemical sensing, and environmental monitoring.

  8. Facile Synthesis of In–Situ Nitrogenated Graphene Decorated by Few–Layer MoS2 for Hydrogen Evolution Reaction

    International Nuclear Information System (INIS)

    Dai, Xiaoping; Li, Zhanzhao; Du, Kangli; Sun, Hui; Yang, Ying; Zhang, Xin; Ma, Xingyu; Wang, Jie

    2015-01-01

    Graphical abstract: In–situ nitrogenated graphene–few layer MoS 2 composites are fabricated by combinating chemical and hydrothermal reduction. The resulting MoS 2 /N–rGO–HA by N 2 H 4 ·H 2 O and NH 3 ·H 2 O as co-reductant exhibits high activity and remarkable stability for hydrogen evolution reaction (HER). The excellent electro-catalytic performance is ascribed to the synergistic effects, confinement effects and highly dispersed MoS 2 nanosheets on N-doping rGO. Display Omitted -- Highlights: • In–situ nitrogenated graphene–few layer MoS 2 composites are fabricated by combinating chemical and hydrothermal co-reduction. • The resulting MoS 2 /N–rGO–HA exhibits high activity and remarkable stability for HER. • The excellent electro-catalytic performance is ascribed to the synergistic effects, confinement effects and highly dispersed MoS 2 nanosheets on N-doping rGO. -- Abstract: A facile one–step synthetic strategy by combinating chemical and hydrothermal reduction of graphene oxide and Mo precursor is proposed to fabricate in–situ nitrogenated graphene–few layer MoS 2 composite (MoS 2 /N–rGO–HA) for hydrogen evolution reaction (HER). The N–doping graphene nanosheets and highly dispersed MoS 2 nanosheets by ammonia and hydrozine as co–reductant have greatly promoted the N content, concentrations of pyridinic and graphitic N, the electron transport in electrodes, and assure high catalytic efficiency. The MoS 2 /N–rGO–HA composite exhibits extremely high activity in acidic solutions with a small onset potential of 100 mV and Tafel slope of 45 mV/dec, as well as a current density about 32.4 mA cm −2 at overpotential about 0.2 V. Moreover, such MoS 2 /N–rGO–HA electroncatalyst also shows an excellent stability during 1000 cycles with negligible loss of the cathodic current. This facile hydrothermal method could provide a promising strategy for the synthesis of in–situ nitrogen–doping graphene sheets and few–layer MoS 2 composites in large scale towards promising alternative catalyst for platinum–based HER electrocatalysts

  9. Model-based Systems Engineering: Creation and Implementation of Model Validation Rules for MOS 2.0

    Science.gov (United States)

    Schmidt, Conrad K.

    2013-01-01

    Model-based Systems Engineering (MBSE) is an emerging modeling application that is used to enhance the system development process. MBSE allows for the centralization of project and system information that would otherwise be stored in extraneous locations, yielding better communication, expedited document generation and increased knowledge capture. Based on MBSE concepts and the employment of the Systems Modeling Language (SysML), extremely large and complex systems can be modeled from conceptual design through all system lifecycles. The Operations Revitalization Initiative (OpsRev) seeks to leverage MBSE to modernize the aging Advanced Multi-Mission Operations Systems (AMMOS) into the Mission Operations System 2.0 (MOS 2.0). The MOS 2.0 will be delivered in a series of conceptual and design models and documents built using the modeling tool MagicDraw. To ensure model completeness and cohesiveness, it is imperative that the MOS 2.0 models adhere to the specifications, patterns and profiles of the Mission Service Architecture Framework, thus leading to the use of validation rules. This paper outlines the process by which validation rules are identified, designed, implemented and tested. Ultimately, these rules provide the ability to maintain model correctness and synchronization in a simple, quick and effective manner, thus allowing the continuation of project and system progress.

  10. Morphology and life-time investigations of dry-lubricating MoS2 films deposited by RF-sputtering

    International Nuclear Information System (INIS)

    Menoud, C.; Kocher, H.; Hinterman, H.E.

    1985-01-01

    Morphology and life-time investigations in vacuum, dry and humid air, of thin, dry-lubricating MoS 2 -films, deposited by rf-sputtering, are reported, using scanning electron microscopical analysis (SEM) and pin on disc friction measurements. Beyond a certain relative humidity the life-time decreases rapidly by about two orders of magnitude, and the coefficient of friction increases from 0.02 to 0.04 in vacuum to 0.20 to 0.30 in humid air. Considering these changes, the useful life-time of a coating was defined as the number of revolutions at a given radius till the coefficient of friction reaches a value of 0.4. Life-time studies were also conducted with Rhodium interlayers and other substrate and pin materials. With the above life-time criterion and the selected pin-on-disc test conditions, the life-time does not show any significant change within an MoS 2 thickness range of 0.2 to 1.5 μm. Finally the life-time distribution of 160 depositions as well as some preliminary results on torque measurements with MoS 2 coated precision roller bearings are presented. (author)

  11. Hybridized 1T/2H MoS2 Having Controlled 1T Concentrations and its use in Supercapacitors.

    Science.gov (United States)

    Thi Xuyen, Nguyen; Ting, Jyh-Ming

    2017-12-06

    Molybdenum disulfide (MoS 2 ) nanoflowers consisting of hybridized 1T/2H phases have been synthesized by using a microwave-assisted hydrothermal (MTH) method. The concentration of the 1T phase, ranging from 40 % to 73 %, is controlled by simply adjusting the ratio of the Mo and S precursors. By using the hybridized 1T/2H MoS 2 as an electrode material, it was demonstrated that the resulting supercapacitor performance is dominated by the 1T phase concentration. It was found that a supercapacitor with 73 % 1T phase exhibits excellent capacitance of 259 F g -1 and great cyclic stability after 1000 cycles. The formation mechanism of the MHT-synthesized hybridized 1T/2H MoS 2 is also reported. More importantly, the mechanism also explains the observed relationship between the 1T phase concentration and the ratio of the Mo and S precursors. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Sensing behavior of flower-shaped MoS2 nanoflakes: case study with methanol and xylene.

    Science.gov (United States)

    Barzegar, Maryam; Berahman, Masoud; Iraji Zad, Azam

    2018-01-01

    Recent research interest in two-dimensional (2D) materials has led to an emerging new group of materials known as transition metal dichalcogenides (TMDs), which have significant electrical, optical, and transport properties. MoS 2 is one of the well-known 2D materials in this group, which is a semiconductor with controllable band gap based on its structure. The hydrothermal process is known as one of the scalable methods to synthesize MoS 2 nanostructures. In this study, the gas sensing properties of flower-shaped MoS 2 nanoflakes, which were prepared from molybdenum trioxide (MoO 3 ) by a facile hydrothermal method, have been studied. Material characterization was performed using X-ray diffraction, Brunauer-Emmett-Teller surface area measurements, elemental analysis using energy dispersive X-ray spectroscopy, and field-emission scanning electron microscopy. The gas sensing characteristics were evaluated under exposure to various concentrations of xylene and methanol vapors. The results reveal higher sensitivity and shorter response times for methanol at temperatures below 200 °C toward 200 to 400 ppm gas concentrations. The sensing mechanisms for both gases are discussed based on simulation results using density functional theory and charge transfer.

  13. High current density 2D/3D MoS2/GaN Esaki tunnel diodes

    Science.gov (United States)

    Krishnamoorthy, Sriram; Lee, Edwin W.; Lee, Choong Hee; Zhang, Yuewei; McCulloch, William D.; Johnson, Jared M.; Hwang, Jinwoo; Wu, Yiying; Rajan, Siddharth

    2016-10-01

    The integration of two-dimensional materials such as transition metal dichalcogenides with bulk semiconductors offer interesting opportunities for 2D/3D heterojunction-based device structures without any constraints of lattice matching. By exploiting the favorable band alignment at the GaN/MoS2 heterojunction, an Esaki interband tunnel diode is demonstrated by transferring large area Nb-doped, p-type MoS2 onto heavily n-doped GaN. A peak current density of 446 A/cm2 with repeatable room temperature negative differential resistance, peak to valley current ratio of 1.2, and minimal hysteresis was measured in the MoS2/GaN non-epitaxial tunnel diode. A high current density of 1 kA/cm2 was measured in the Zener mode (reverse bias) at -1 V bias. The GaN/MoS2 tunnel junction was also modeled by treating MoS2 as a bulk semiconductor, and the electrostatics at the 2D/3D interface was found to be crucial in explaining the experimentally observed device characteristics.

  14. Production of biofunctionalized MoS2 flakes with rationally modified lysozyme: a biocompatible 2D hybrid material

    Science.gov (United States)

    Siepi, Marialuisa; Morales-Narváez, Eden; Domingo, Neus; Monti, Daria Maria; Notomista, Eugenio; Merkoçi, Arben

    2017-09-01

    Bioapplications of 2D materials embrace demanding features in terms of environmental impact, toxicity and biocompatibility. Here we report on the use of a rationally modified lysozyme to assist the exfoliation of MoS2 bulk crystals suspended in water through ultrasonic exfoliation. The design of the proposed lysozyme derivative provides this exfoliated 2D-materail with both, hydrophobic groups that interact with the surface of MoS2 and hydrophilic groups exposed to the aqueous medium, which hinders its re-aggregation. This approach, clarified also by molecular docking studies, leads to a stable material (ζ-potential, 27  ±  1 mV) with a yield of up to 430 µg ml-1. The bio-hybrid material was characterized in terms of number of layers and optical properties according to different slots separated by diverse centrifugal forces. Furthermore the obtained material was proved to be biocompatible using human normal keratinocytes and human cancer epithelial cells, whereas the method was demonstrated to be applicable to produce other 2D materials such as graphene. This approach is appealing for the advantageous production of high quality MoS2 flakes and their application in biomedicine and biosensing. Moreover, this method can be applied to different starting materials, making the denatured lysozyme a promising bio-tool for surface functionalization of 2D materials.

  15. MoS2 Nanosheets Vertically Grown on Carbonized Corn Stalks as Lithium-Ion Battery Anode.

    Science.gov (United States)

    Ma, Luxiang; Zhao, Binglu; Wang, Xusheng; Yang, Junfeng; Zhang, Xinxiang; Zhou, Yuan; Chen, Jitao

    2018-06-25

    In this study, MoS 2 nanosheets are vertically grown on the inside and outside surfaces of the carbonized corn stalks (CCS) by a simple hydrothermal reaction. The vertically grown structure can not only improve the transmission rate of Li + and electrons but also avoid the agglomeration of the nanosheets. Meanwhile, a new approach of biomass source application is presented. We use CCS instead of graphite powders, which can not only avoid the exploitation of graphite resources, but also be used as a matrix for MoS 2 growth to prevent the electrode from being further decomposed during long cycles and at high current densities. Meanwhile, lithium-ion batteries show remarkable electrochemical performance. They demonstrate a high specific capacity of 1409.5 mA g -1 at 100 mA g -1 in the initial cycle. After 250 cycles, the discharge capacity is still as high as 1230.9 mAh g -1 . Even at 4000 mA g -1 , they show a high specific capacity of 777.7 mAh g -1 . Furthermore, the MoS 2 /CCS electrodes show long cycle life, and the specific capacity is still up to ∼500 mAh g -1 at 5000 mA g -1 after 1000 cycles.

  16. Structural stability of coplanar 1T-2H superlattice MoS2 under high energy electron beam

    Science.gov (United States)

    Reshmi, S.; Akshaya, M. V.; Satpati, Biswarup; Basu, Palash Kumar; Bhattacharjee, K.

    2018-05-01

    Coplanar heterojunctions composed of van der Waals layered materials with different structural polymorphs have drawn immense interest recently due to low contact resistance and high carrier injection rate owing to low Schottky barrier height. Present research has largely focused on efficient exfoliation of these layered materials and their restacking to achieve better performances. We present here a microwave assisted easy, fast and efficient route to induce high concentration of metallic 1T phase in the original 2H matrix of exfoliated MoS2 layers and thus facilitating the formation of a 1T-2H coplanar superlattice phase. High resolution transmission electron microscopy (HRTEM) investigations reveal formation of highly crystalline 1T-2H hybridized structure with sharp interface and disclose the evidence of surface ripplocations within the same exfoliated layer of MoS2. In this work, the structural stability of 1T-2H superlattice phase during HRTEM measurements under an electron beam of energy 300 keV is reported. This structural stability could be either associated to the change in electronic configuration due to induction of the restacked hybridized phase with 1T- and 2H-regions or to the formation of the surface ripplocations. Surface ripplocations can act as an additional source of scattering centers to the electron beam and also it is possible that a pulse train of propagating ripplocations can sweep out the defects via interaction from specific areas of MoS2 sheets.

  17. Influences of Different Components on Agglomeration Behavior of MoS2 During Oxidation Roasting Process in Air

    Science.gov (United States)

    Wang, Lu; Zhang, Guo-Hua; Wang, Jing-Song; Chou, Kuo-Chih

    2016-08-01

    An agglomeration of the furnace charge always takes place during the oxidation roasting process of molybdenite concentrate (with the main component of MoS2) in multiple hearth furnaces, which greatly affects the production process and furnace service life. In the present work, a preliminary study about the influence of various components on the agglomeration phenomenon of pure MoS2 have been carried out. The results show that reaction temperature, impurity content, and air flow rate have significant effects on the agglomeration extent. Meanwhile, the impurity type added into the pure MoS2 plays a crucial role. It was found that CaO and MgO have a stronger sulfur-fixing effect and that the desulphurization of the roasted product was uncompleted. It was also concluded that the agglomeration is due to the formation of low-melting-point eutectics, including that between MoO3 and impurities and that between MoO3 and Mo4O11. It is suggested that decreasing the impurities contents, especially K, Cu, Pb, and Fe, is an effective method for reducing the extent of agglomeration.

  18. Nanoscale-Barrier Formation Induced by Low-Dose Electron-Beam Exposure in Ultrathin MoS2 Transistors.

    Science.gov (United States)

    Matsunaga, Masahiro; Higuchi, Ayaka; He, Guanchen; Yamada, Tetsushi; Krüger, Peter; Ochiai, Yuichi; Gong, Yongji; Vajtai, Robert; Ajayan, Pulickel M; Bird, Jonathan P; Aoki, Nobuyuki

    2016-10-05

    Utilizing an innovative combination of scanning-probe and spectroscopic techniques, supported by first-principles calculations, we demonstrate how electron-beam exposure of field-effect transistors, implemented from ultrathin molybdenum disulfide (MoS 2 ), may cause nanoscale structural modifications that in turn significantly modify the electrical operation of these devices. Quite surprisingly, these modifications are induced by even the relatively low electron doses used in conventional electron-beam lithography, which are found to induce compressive strain in the atomically thin MoS 2 . Likely arising from sulfur-vacancy formation in the exposed regions, the strain gives rise to a local widening of the MoS 2 bandgap, an idea that is supported both by our experiment and by the results of first-principles calculations. A nanoscale potential barrier develops at the boundary between exposed and unexposed regions and may cause extrinsic variations in the resulting electrical characteristics exhibited by the transistor. The widespread use of electron-beam lithography in nanofabrication implies that the presence of such strain must be carefully considered when seeking to harness the potential of atomically thin transistors. At the same time, this work also promises the possibility of exploiting the strain as a means to achieve "bandstructure engineering" in such devices.

  19. Colorimetric assay of copper ions based on the inhibition of peroxidase-like activity of MoS2 nanosheets

    Science.gov (United States)

    Chen, Huan; Li, Zhihong; Liu, Xueting; Zhong, Jianhai; Lin, Tianran; Guo, Liangqia; Fu, Fengfu

    2017-10-01

    The peroxidase-like catalytic activity of MoS2 nanomaterials has been utilized for colorimetric bioassays and medical diagnostics. However, the application of peroxidase-like catalytic activity of MoS2 nanomaterials in environmental analysis was seldom explored. Herein, copper ions were found to inhibit the peroxidase-like catalytic activity of MoS2 nanosheets, which can catalyze the oxidation of 3, 3‧, 5, 5‧-tetramethylbenzidine by H2O2 to produce a colorimetric product. Based on this finding, a simple sensitive colorimetric method for the detection of copper ions was developed. In the presence of copper ions, the absorbance and color of the solution decreased with the increasing concentration of copper ions. The color of the solution can be used to semi-quantitative on-site assay of copper ions by naked eyes. A linear relationship between the absorbance and the concentration of copper ions was observed in the range of 0.4-4.0 μmol L- 1 with a detection limit of 92 nmol L- 1, which was much lower than the maximum contaminant level of copper in drinking water legislated by the Environmental Protection Agency of USA and the World Health Organization. The method was applied to detect copper ions in environmental water samples with satisfactory results.

  20. Topologically induced fractional Hall steps in the integer quantum Hall regime of MoS 2

    Science.gov (United States)

    Firoz Islam, SK; Benjamin, Colin

    2016-09-01

    The quantum magnetotransport properties of a monolayer of molybdenum disulfide are derived using linear response theory. In particular, the effect of topological terms on longitudinal and Hall conductivity is analyzed. The Hall conductivity exhibits fractional steps in the integer quantum Hall regime. Further complete spin and valley polarization of the longitudinal conductivitity is seen in presence of these topological terms. Finally, the Shubnikov-de Hass oscillations are suppressed or enhanced contingent on the sign of these topological terms.