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Sample records for hueckel mo band

  1. 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.

  2. 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)

  3. 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.

  4. Electronic structure investigation of MoS2 and MoSe2 using angle-resolved photoemission spectroscopy and ab initio band structure studies.

    Science.gov (United States)

    Mahatha, S K; Patel, K D; Menon, Krishnakumar S R

    2012-11-28

    Angle-resolved photoemission spectroscopy (ARPES) and ab initio band structure calculations have been used to study the detailed valence band structure of molybdenite, MoS(2) and MoSe(2). The experimental band structure obtained from ARPES has been found to be in good agreement with the theoretical calculations performed using the linear augmented plane wave (LAPW) method. In going from MoS(2) to MoSe(2), the dispersion of the valence bands decreases along both k(parallel) and k(perpendicular), revealing the increased two-dimensional character which is attributed to the increasing interlayer distance or c/a ratio in these compounds. The width of the valence band and the band gap are also found to decrease, whereas the valence band maxima shift towards the higher binding energy from MoS(2) to MoSe(2).

  5. Optimization of parameters for the extended Hueckel method starting from ab-initio atomic calculations

    International Nuclear Information System (INIS)

    Branda, M.M.; Ferullo, R.; Castellani, N.J.

    1990-01-01

    The application of an atomic Hartree-Fock-Slater method is exposed in the present work for the simultaneous obtainment of all parameters used in the extended Hueckel method with charge interaction (IEH): The diagonal elements of the Hamiltonian, the constants of the quadratic relation between. (Author). 16 refs., 3 tabs

  6. 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.

  7. 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.

  8. Determination of band offsets at GaN/single-layer MoS{sub 2} heterojunction

    Energy Technology Data Exchange (ETDEWEB)

    Tangi, Malleswararao; Mishra, Pawan; Ng, Tien Khee; Janjua, Bilal; Alias, Mohd Sharizal; Ooi, Boon S., E-mail: boon.ooi@kaust.edu.sa [Photonics Laboratory, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Hedhili, Mohamed Nejib; Anjum, Dalaver H. [Adavanced Nanofabrication Imaging and Characterization, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Tseng, Chien-Chih; Shi, Yumeng; Li, Lain-Jong [Physical Sciences and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Joyce, Hannah J. [Department of Engineering, University of Cambridge, 9 JJ Thomson Avenue, Cambridge, Cambridgeshire CB3 0FA (United Kingdom)

    2016-07-18

    We report the band alignment parameters of the GaN/single-layer (SL) MoS{sub 2} heterostructure where the GaN thin layer is grown by molecular beam epitaxy on CVD deposited SL-MoS{sub 2}/c-sapphire. We confirm that the MoS{sub 2} is an SL by measuring the separation and position of room temperature micro-Raman E{sup 1}{sub 2g} and A{sup 1}{sub 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-MoS{sub 2} heterojunction is carried out by high-resolution X-ray photoelectron spectroscopy accompanying with electronic bandgap values of SL-MoS{sub 2} 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. 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.

  10. Development of banded microstructure in 34CrNiMo6 steel

    Directory of Open Access Journals (Sweden)

    A. Nagode

    2016-07-01

    Full Text Available In this paper the development of a banded microstructure in hot-rolled 34CrNiMo6 steel which consisted of bainitic and martensitic bands is explained. The chemical compositions of the bands were measured with energy dispersive x-ray spectroscopy (EDS, which showed that the martensitic bands contained more alloying elements (Mn, Cr, Mo, Si than bainitic bands. By using Oberhoffer reagent, the segregations of phosphorus were also revealed. These phosphorus segregations coincided with the positive segregations of the alloying elements. The continuous cooling transformation (CCT diagrams of steel were calculated. They confirmed the formation of martensite in positive segregations and the formation of bainite in negative segregations.

  11. 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.

  12. 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.

  13. Band gap engineering of MoS{sub 2} upon compression

    Energy Technology Data Exchange (ETDEWEB)

    López-Suárez, Miquel, E-mail: miquel.lopez@nipslab.org [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); Neri, Igor [NiPS Laboratory, Dipartimento di Fisica e Geologia, Università degli Studi di Perugia, 06123 Perugia (Italy); INFN Sezione di Perugia, via Pascoli, 06123 Perugia (Italy); Rurali, Riccardo [Institut de Ciència de Materials de Barcelona (ICMAB–CSIC) Campus de Bellaterra, 08193 Bellaterra, Barcelona (Spain)

    2016-04-28

    Molybdenum disulfide (MoS{sub 2}) is a promising candidate for 2D nanoelectronic devices, which shows a direct band-gap for monolayer structure. In this work we study the electronic structure of MoS{sub 2} upon both compressive and tensile strains with first-principles density-functional calculations for different number of layers. The results show that the band-gap can be engineered for experimentally attainable strains (i.e., ±0.15). However, compressive strain can result in bucking that can prevent the use of large compressive strain. We then studied the stability of the compression, calculating the critical strain that results in the on-set of buckling for free-standing nanoribbons of different lengths. The results demonstrate that short structures, or few-layer MoS{sub 2}, show semi-conductor to metal transition upon compressive strain without bucking.

  14. Rigorous study of the mean field approximation of Debye and Hueckel for Coulomb systems

    International Nuclear Information System (INIS)

    Kennedy, T.G.

    1984-01-01

    The statistical mechanics of a classical charge symmetric Coulomb system is studied in three dimensions in the limit that the plasma parameter (the inverse temperature divided by the Debye length) goes to zero. To make the system stable, a short range interaction, e.g., hard cores is included. This short range interaction is allowed to go to zero as the plasma parameter goes to zero. Debye and Hueckel used a mean field approximation to give a nonrigorous study of Coulomb systems in his limit. For a system with no external charge distribution, it is shown that the pressure, density, and correlation functions are asymptotic to their Debye-Hueckel approximations. These approximations consist of the ideal gas term plus a term of one lower order in the plasma parameter. The main tools are the Sine-Gordon transformation, the Mayer expansion, and some new correlation inequalities. The sine-Gordon transformation and the Mayer expansion are used to express the observables as functional integrals with respect to a Gaussian measure. The correlation inequalities help control these functional integrals

  15. Optical properties of Nb and Mo calculated from augmented-plane-wave band structures

    International Nuclear Information System (INIS)

    Pickett, W.E.; Allen, P.B.

    1975-01-01

    Nonrelativistic band calculations of Mattheiss for Nb and Petroff and Viswanathan for Mo are used to calculate the imaginary part epsilon 2 of the dielectric function for these metals. The structure resulting from interband transitions in the frequency range 0.1--0.5 Ry is found to give fairly good agreement with experiment. The calculation indicates that structure in epsilon 2 can arise from transitions away from symmetry points and lines in the Brillouin zone. The difficulty in distinguishing between the direct and indirect transition models for epsilon 2 is shown to arise from a lack of strong optical critical points. Predictions of the rigid-band model for the optical properties of Nb-Mo alloys are presented

  16. 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.

  17. 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.

  18. Band alignment of ZnO/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn; He, Jiazhu; Chen, Le; Li, Kuilong; Jia, Fang; Zeng, Yuxiang; Lu, Youming; Zhu, Deliang; Liu, Wenjun, E-mail: xkliu@szu.edu.cn, E-mail: liuwj@szu.edu.cn [College of Materials Science and Engineering, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Zhang, Yuan [School of Physics and Electronic Information, Hua Bei Normal University, 100 Dongshan Road, Huai Bei 235000 (China); Liu, Qiang; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Wu, Jing [Institute of Materials research and Engineering (IMRE), 2 Fusionopolis Way, Innovis, #08-03, 138634 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

    2016-08-15

    The energy band alignment between ZnO and multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The ZnO film was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 3.32 eV and a conduction band offset (CBO) of 1.12 eV were obtained for the ZnO/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the ZnO/ML-MoS{sub 2} interface were found to be 3.54 eV and 1.34 eV, respectively. With the CHF{sub 3} plasma treatment, the band alignment of the ZnO/ML-MoS{sub 2} interface has been changed from type II or staggered band alignment to type III or misaligned one, which favors the electron-hole pair separation. The band alignment difference is believed to be dominated by the down-shift in the core level of Zn 2p or the interface dipoles, which is caused by the interfacial layer rich in F.

  19. Suppressing band gap of MoS{sub 2} by the incorporation of four- and eight-membered rings

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Liyan; Zhang, Tingting, E-mail: ttzhang@hytc.edu.cn [Huaiyin Normal University, School of Physics and Electronic & Electrical Engineering, and Jiangsu Key Laboratory of Modern Measurement Technology and Intelligent Systems (China)

    2015-05-15

    A stable planar allotrope of MoS{sub 2}, formed by introducing four- and eight-membered rings into its hexagonal network (H468), is identified to be a narrow direct-band-gap semiconductor by first principle calculations, which is remarkably different from the large band gap semiconductor of conventional MoS{sub 2} and also the zero band gap allotrope consisting of four- and eight-membered rings (H48) only. The medium-sized direct band gap indicates that H468 would find applications in nanoelectronics and near-infrared optoelectronic devices. Furthermore, the distinctive simulated scanning tunneling microscope images under positive and negative biases might be a unique characteristic for the experimental identification of such an allotrope of MoS{sub 2}.

  20. 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.

  1. Direct imaging of band profile in single layer MoS2 on graphite: quasiparticle energy gap, metallic edge states, and edge band bending.

    Science.gov (United States)

    Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung; Li, Lain-Jong; Shih, Chih-Kang

    2014-05-14

    Using scanning tunneling microscopy and spectroscopy, we probe the electronic structures of single layer MoS2 on graphite. The apparent quasiparticle energy gap of single layer MoS2 is measured to be 2.15 ± 0.06 eV at 77 K, albeit a higher second conduction band threshold at 0.2 eV above the apparent conduction band minimum is also observed. Combining it with photoluminescence studies, we deduce an exciton binding energy of 0.22 ± 0.1 eV (or 0.42 eV if the second threshold is use), a value that is lower than current theoretical predictions. Consistent with theoretical predictions, we directly observe metallic edge states of single layer MoS2. In the bulk region of MoS2, the Fermi level is located at 1.8 eV above the valence band maximum, possibly due to the formation of a graphite/MoS2 heterojunction. At the edge, however, we observe an upward band bending of 0.6 eV within a short depletion length of about 5 nm, analogous to the phenomena of Fermi level pinning of a 3D semiconductor by metallic surface states.

  2. 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

  3. Transition metal atoms absorbed on MoS2/h-BN heterostructure: stable geometries, band structures and magnetic properties.

    Science.gov (United States)

    Wu, Yanbing; Huang, Zongyu; Liu, Huating; He, Chaoyu; Xue, Lin; Qi, Xiang; Zhong, Jianxin

    2018-06-15

    We have studied the stable geometries, band structures and magnetic properties of transition-metal (V, Cr, Mn, Fe, Co and Ni) atoms absorbed on MoS2/h-BN heterostructure systems by first-principles calculations. By comparing the adsorption energies, we find that the adsorbed transition metal (TM) atoms prefer to stay on the top of Mo atoms. The results of the band structure without spin-orbit coupling (SOC) interaction indicate that the Cr-absorbed systems behave in a similar manner to metals, and the Co-absorbed system exhibits a half-metallic state. We also deduce that the V-, Mn-, Fe-absorbed systems are semiconductors with 100% spin polarization at the HOMO level. The Ni-absorbed system is a nonmagnetic semiconductor. In contrast, the Co-absorbed system exhibits metallic state, and the bandgap of V-absorbed system decreases slightly according to the SOC calculations. In addition, the magnetic moments of all the six TM atoms absorbed on the MoS2/h-BN heterostructure systems decrease when compared with those of their free-standing states.

  4. 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.

  5. 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.

  6. Perturbation expansion of the ground-state energy for the one-dimensional cyclic Hubbard system in the Hueckel limit

    International Nuclear Information System (INIS)

    Takahashi, M.; Bracken, P.; Cizek, J.; Paldus, J.

    1995-01-01

    The perturbation expansion coefficients for the ground-state energy of the half-filled one-dimensional Hubbard model with N = 4 ν + 2, (ν = 1,2,...) sites and satisfying cyclic boundary conditions were calculated in the Hueckel limit (U/β → 0), where β designates the one-electron hopping or resonance integral, and U, the two-electron on-site Coulomb integral. This was achieved by solving-order by order-the Lieb-Wu equations, a system of transcendental equations that determines the set of quasi-momenta (k i ) and spin variable τ α for this model. The exact values for these quantities were found for the N = 6 member ring up to the 20th order in terms of the coupling constant B = U/2β, as well as numerically for 10 ≤ N ≤ 50, and the N = 6 Lieb-Wu system was reduced to a system of sextic algebraic equations. These results are compared with those of the infinite system derived analytically by Misurkin and Ovchinnikov. It is further shown how the results of this article can be used for the interpolation by the root of a polynomial. It is demonstrated that a polynomial of relatively small degree provides a very good approximation for the energy in the intermediate coupling region. 20 refs., 3 tabs

  7. Negative thermal expansion and broad band photoluminescence in a novel material of ZrScMo2VO12.

    Science.gov (United States)

    Ge, Xianghong; Mao, Yanchao; Liu, Xiansheng; Cheng, Yongguang; Yuan, Baohe; Chao, Mingju; Liang, Erjun

    2016-04-21

    In this paper, we present a novel material with the formula of ZrScMo2VO12 for the first time. It was demonstrated that this material exhibits not only excellent negative thermal expansion (NTE) property over a wide temperature range (at least from 150 to 823 K), but also very intense photoluminescence covering the entire visible region. Structure analysis shows that ZrScMo2VO12 has an orthorhombic structure with the space group Pbcn (No. 60) at room temperature. A phase transition from monoclinic to orthorhombic structure between 70 and 90 K is also revealed. The intense white light emission is tentatively attributed to the n- and p-type like co-doping effect which creates not only the donor- and acceptor-like states in the band gap, but also donor-acceptor pairs and even bound exciton complexes. The excellent NTE property integrated with the intense white-light emission implies a potential application of this material in light emitting diode and other photoelectric devices.

  8. Observing the semiconducting band-gap alignment of MoS{sub 2} layers of different atomic thicknesses using a MoS{sub 2}/SiO{sub 2}/Si heterojunction tunnel diode

    Energy Technology Data Exchange (ETDEWEB)

    Nishiguchi, Katsuhiko, E-mail: nishiguchi.katsuhiko@lab.ntt.co.jp; Yamaguchi, Hiroshi; Fujiwara, Akira [NTT Basic Research Laboratories, 3-1 Morinosato Wakamiya, Atsugi, Kanagawa 243-0198 (Japan); Castellanos-Gomez, Andres; Zant, Herre S. J. van der; Steele, Gary A. [Kavli Institute of Nanoscience, Delft University of Technology, Lorentzweg 1, 2628CJ Delft (Netherlands)

    2015-08-03

    We demonstrate a tunnel diode composed of a vertical MoS{sub 2}/SiO{sub 2}/Si heterostructure. A MoS{sub 2} 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 MoS{sub 2} layers and p-type Si channel. The tunneling-current characteristics show multiple negative differential resistance features, which we interpret as an indication of different conduction-band alignments of the MoS{sub 2} layers of different thicknesses. The presented tunnel device can be also used as a hybrid-heterostructure device combining the advantages of two-dimensional materials with those of silicon transistors.

  9. 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.

  10. Optical and electronic properties of 2 H -Mo S2 under pressure: Revealing the spin-polarized nature of bulk electronic bands

    Science.gov (United States)

    Brotons-Gisbert, Mauro; Segura, Alfredo; Robles, Roberto; Canadell, Enric; Ordejón, Pablo; Sánchez-Royo, Juan F.

    2018-05-01

    Monolayers of transition-metal dichalcogenide semiconductors present spin-valley locked electronic bands, a property with applications in valleytronics and spintronics that is usually believed to be absent in their centrosymmetric (as the bilayer or bulk) counterparts. Here we show that bulk 2 H -Mo S2 hides a spin-polarized nature of states determining its direct band gap, with the spin sequence of valence and conduction bands expected for its single layer. This relevant finding is attained by investigating the behavior of the binding energy of A and B excitons under high pressure, by means of absorption measurements and density-functional-theory calculations. These results raise an unusual situation in which bright and dark exciton degeneracy is naturally broken in a centrosymmetric material. Additionally, the phonon-assisted scattering process of excitons has been studied by analyzing the pressure dependence of the linewidth of discrete excitons observed at the absorption coefficient edge of 2 H -Mo S2 . Also, the pressure dependence of the indirect optical transitions of bulk 2 H -Mo S2 has been analyzed by absorption measurements and density-functional-theory calculations. These results reflect a progressive closure of the indirect band gap as pressure increases, indicating that metallization of bulk Mo S2 may occur at pressures higher than 26 GPa.

  11. Design of an X -band electron linear accelerator dedicated to decentralized 99Mo/99mTc supply: From beam energy selection to yield estimation

    Science.gov (United States)

    Jang, Jaewoong; Yamamoto, Masashi; Uesaka, Mitsuru

    2017-10-01

    The most frequently used radionuclide in diagnostic nuclear medicine, 99mTc, is generally obtained by the decay of its parent radionuclide, 99Mo. Recently, concerns have been raised over shortages of 99Mo/99mTc, owing to aging of the research reactors which have been supplying practically all of the global demand for 99Mo in a centralized fashion. In an effort to prevent such 99Mo/99mTc supply disruption and, furthermore, to ameliorate the underlying instability of the centralized 99Mo/99mTc supply chain, we designed an X -band electron linear accelerator which can be distributed over multiple regions, whereby 99Mo/99mTc can be supplied with improved accessibility. The electron beam energy was designed to be 35 MeV, at which an average beam power of 9.1 kW was calculated by the following beam dynamics analysis. Subsequent radioactivity modeling suggests that 11 of the designed electron linear accelerators can realize self-sufficiency of 99Mo/99mTc in Japan.

  12. Design of an X-band electron linear accelerator dedicated to decentralized ^{99}Mo/^{99m}Tc supply: From beam energy selection to yield estimation

    Directory of Open Access Journals (Sweden)

    Jaewoong Jang

    2017-10-01

    Full Text Available The most frequently used radionuclide in diagnostic nuclear medicine, ^{99m}Tc, is generally obtained by the decay of its parent radionuclide, ^{99}Mo. Recently, concerns have been raised over shortages of ^{99}Mo/^{99m}Tc, owing to aging of the research reactors which have been supplying practically all of the global demand for ^{99}Mo in a centralized fashion. In an effort to prevent such ^{99}Mo/^{99m}Tc supply disruption and, furthermore, to ameliorate the underlying instability of the centralized ^{99}Mo/^{99m}Tc supply chain, we designed an X-band electron linear accelerator which can be distributed over multiple regions, whereby ^{99}Mo/^{99m}Tc can be supplied with improved accessibility. The electron beam energy was designed to be 35 MeV, at which an average beam power of 9.1 kW was calculated by the following beam dynamics analysis. Subsequent radioactivity modeling suggests that 11 of the designed electron linear accelerators can realize self-sufficiency of ^{99}Mo/^{99m}Tc in Japan.

  13. Narrow band gap and visible light-driven photocatalysis of V-doped Bi{sub 6}Mo{sub 2}O{sub 15} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jian; Qin, Chuanxiang; Huang, Yanlin [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Wang, Yaorong, E-mail: yrwang@suda.edu.cn [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou 215123 (China); Qin, Lin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan 608-737 (Korea, Republic of)

    2017-02-28

    Highlights: • V{sup 5+}-doped Bi{sub 6}Mo{sub 2}O{sub 15} was synthesized by the electrospinning preparation. • The band gap energy of Bi{sub 6}Mo{sub 2}O{sub 15} was greatly reduced by V-doping in the lattices. • V-doped Bi{sub 6}Mo{sub 2}O{sub 15} shows high activity in RhB degradation under visible light. • Crystal structure of Bi{sub 6}Mo{sub 2}O{sub 15} is favorable for high photocatalytic capacity. - Abstract: Pure and V{sup 5+}-doped Bi{sub 6}Mo{sub 2}O{sub 15} (3Bi{sub 2}O{sub 3}·2MoO{sub 3}) photocatalysts were synthesized through electrospinning, followed by low-temperature heat treatment. The samples developed into nanoparticles with an average size of approximately 50 nm. The crystalline phases were verified via X-ray powder diffraction measurements (XRD). The surface properties of the photocatalysts were studied by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray photoelectron spectroscopy (XPS) analyses. The UV–vis spectra showed that V doping in Bi{sub 6}Mo{sub 2}O{sub 15} shifted the optical absorption from the UV region to the visible-light wavelength region. The energy of the band gap of Bi{sub 6}Mo{sub 2}O{sub 15} was reduced by V doping in the lattices. The photocatalytic activities of the pure and V-doped Bi{sub 6}Mo{sub 2}O{sub 15} were tested through photodegradation of rhodamine B (RhB) dye solutions under visible light irradiation. Results showed that 20 mol% V-doped Bi{sub 6}Mo{sub 2}O{sub 15} achieved efficient photocatalytic ability. RhB could be degraded by V-doped Bi{sub 6}Mo{sub 2}O{sub 15} in 2 h. The photocatalytic activities and mechanisms were discussed according to the characteristics of the crystal structure and the results of EIS and XPS measurements.

  14. Photoreflectance study of the near-band-edge transitions of chemical vapor deposition-grown mono- and few-layer MoS{sub 2} films

    Energy Technology Data Exchange (ETDEWEB)

    Lin, Kuang-I, E-mail: kilin@mail.ncku.edu.tw [Center for Micro/Nano Science and Technology, National Cheng Kung University, Tainan 70101, Taiwan (China); Chen, Yen-Jen; Wang, Bo-Yan; Cheng, Yung-Chen [Department of Materials Science, National University of Tainan, Tainan 70005, Taiwan (China); Chen, Chang-Hsiao, E-mail: chsiaoc@fcu.edu.tw [Department of Automatic Control Engineering, Feng Chia University, Taichung 40724, Taiwan (China)

    2016-03-21

    Room-temperature photoreflectance (PR) and reflectance (R) spectroscopy are utilized to investigate the near-band-edge transitions of molybdenum disulfide (MoS{sub 2}) thin films grown on sapphire substrates by a hot-wall chemical vapor deposition system. The layer thickness and optical properties of the MoS{sub 2} thin films are confirmed by Raman spectroscopy, atomic force microscope, and photoluminescence (PL) analysis. The B exciton shows relatively weak PL intensity in comparing with the A exciton even for monolayer MoS{sub 2} films. In the R spectrum of few‐layer MoS{sub 2}, it is not possible to clearly observe exciton related features. The PR spectra have two sharp, derivative-like features on a featureless background. Throughout the PR lineshape fitting, the transition energies are designated as the A and B excitons at the K-point of the Brillouin zone, but at room temperature there seems to be no distinguishable feature corresponding to an H‐point transition for the mono- and few-layer MoS{sub 2} films unlike in bulk. These transition energies are slightly larger than those obtained by PL, which is attributed to the Stokes shifts related to doping level. The obtained values of valence-band spin-orbit splitting are in good agreement with those from other experimental methods. By comparing the PR lineshapes, the dominant modulation mechanism is attributed to variations of the exciton transition energies due to change in the built-in electric field. On the strength of this study, PR spectroscopy is demonstrated as a powerful technique for characterizing the near-band-edge transitions of MoS{sub 2} from monolayer to bulk.

  15. Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Fengler, S.; Dittrich, Th.; Rusu, M.

    2015-01-01

    Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

  16. Band alignment of HfO{sub 2}/multilayer MoS{sub 2} interface determined by x-ray photoelectron spectroscopy: Effect of CHF{sub 3} treatment

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xinke; He, Jiazhu; Tang, Dan; Jia, Fang; Lu, Youming, E-mail: ymlu@szu.edu.cn; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Liu, Qiang; Wen, Jiao; Yu, Wenjie, E-mail: casan@mail.sim.ac.cn [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS,865 Chang Ning Road, Shanghai 200050 (China); Pan, Jisheng [Institute of Materials Research and Engineering, Agency for Science Technology and Research, Singapore 117602 (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, Singapore 117583 (Singapore)

    2015-09-07

    The energy band alignment between HfO{sub 2}/multilayer (ML)-MoS{sub 2} was characterized using high-resolution x-ray photoelectron spectroscopy. The HfO{sub 2} was deposited using an atomic layer deposition tool, and ML-MoS{sub 2} was grown by chemical vapor deposition. A valence band offset (VBO) of 1.98 eV and a conduction band offset (CBO) of 2.72 eV were obtained for the HfO{sub 2}/ML-MoS{sub 2} interface without any treatment. With CHF{sub 3} plasma treatment, a VBO and a CBO across the HfO{sub 2}/ML-MoS{sub 2} interface were found to be 2.47 eV and 2.23 eV, respectively. The band alignment difference is believed to be dominated by the down-shift in the core level of Hf 4d and up-shift in the core level of Mo 3d, or the interface dipoles, which caused by the interfacial layer in rich of F.

  17. 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

  18. First-principles calculations on strain and electric field induced band modulation and phase transition of bilayer WSe2sbnd MoS2 heterostructure

    Science.gov (United States)

    Lei, Xiang; Yu, Ke

    2018-04-01

    A purposeful modulation of physical properties of material via change external conditions has long captured people's interest and can provide many opportunities to improve the specific performance of electronic devices. In this work, a comprehensive first-principles survey was performed to elucidate that the bandgap and electronic properties of WSe2sbnd MoS2 heterostructure exhibited unusual response to exterior strain and electric field in comparison with pristine structures. It demonstrates that the WSe2sbnd MoS2 is a typical type-II heterostructure, and thus the electron-hole pairs can be effectively spatially separated. The external effects can trigger the electronic phase transition from semiconducting to metallic state, which originates from the internal electric evolution induced energy-level shift. Interestingly, the applied strain shows no direction-depended character for the modulation of bandgap of WSe2sbnd MoS2 heterostructure, while it exists in the electric field tuning processes and strongly depends on the direction of the electric field. Our findings elucidate the tunable electronic property of bilayer WSe2sbnd MoS2 heterostructure, and would provide a valuable reference to design the electronic nanodevices.

  19. Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures

    DEFF Research Database (Denmark)

    Latini, Simone; Winther, Kirsten Trøstrup; Olsen, Thomas

    2017-01-01

    -emitting diodes. An important first step in describing such processes is to obtain the energies of the interlayer exciton states existing at the interface. Here we present a general first-principles method to compute the electronic quasi-particle (QP) band structure and excitonic binding energies...

  20. Investigation of BaMoO4-Ln2(MoO4)3 systems (Ln = Nd, Sm, Yb)

    International Nuclear Information System (INIS)

    Vakulyuk, V.V.; Evdokimov, A.A.; Khomchenko, G.P.

    1982-01-01

    Using the methods of X-ray phase and differential-thermal analyses phase ratios in the systems BaMoO 4 -Ln 2 (MoO 4 ) 3 (Ln=Nd, Sm, Yb); BaNd 2 (MoO 4 ) 4 -MaGd 2 (MoO 4 ) are studied. Unit cell parameters and the character of melting of the compounds BaLn 2 (MoO 4 ) 4 are specified. Effect of growth conditions on laminated nature of BaGd 2 (MoO 4 ) 4 monocrystals is studied

  1. 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.

  2. X-ray characterization, electronic band structure, and thermoelectric properties of the cluster compound Ag.sub.2./sub.Tl.sub.2./sub.Mo.sub.9./sub.Se.sub.11./sub..

    Czech Academy of Sciences Publication Activity Database

    Al Rahal Al Orabi, R.; Gougeon, P.; Gall, Ph.; Fontaine, B.; Gautier, R.; Colin, M.; Candolfi, C.; Dauscher, A.; Hejtmánek, Jiří; Malaman, B.; Lenoir, B.

    2014-01-01

    Roč. 53, č. 21 (2014), 11699-11709 ISSN 0020-1669 Institutional support: RVO:68378271 Keywords : thermoelectric properties * electronic band structure * cluster compound Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.762, year: 2014

  3. Electronic structures and band gaps of chains and sheets based on phenylacetylene units

    International Nuclear Information System (INIS)

    Kondo, Masakazu; Nozaki, Daijiro; Tachibana, Masamitsu; Yumura, Takashi; Yoshizawa, Kazunari

    2005-01-01

    We investigate the electronic structures of polymers composed of π-conjugated phenylacetylene (PA) units, m-PA-based and p-PA-based wires, at the extended Hueckel level of theory. It is demonstrated that these conjugated systems should have a variety of electric conductance. All of the one-dimensional (1D) chains and the two-dimensional (2D) sheet based on the m-PA unit are insulators with large band gaps of 2.56 eV because there is no effective orbital interaction with neighboring chains. On the other hand, p-PA-based 1D chains have relatively small band gaps that decrease with an increase in chain width (1.17-1.74 eV) and are semiconductive. The p-PA-based sheet called 'graphyne', a 2D-limit of the p-PA-based 1D chains, shows a small band gap of 0.89 eV. The variety of band electronic structures is discussed in terms of frontier crystal orbitals

  4. Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of MoS2, h-BN, and phosphorene

    DEFF Research Database (Denmark)

    Rasmussen, Filip Anselm; Schmidt, Per Simmendefeldt; Winther, Kirsten Trøstrup

    2016-01-01

    Calculating the quasiparticle (QP) band structure of two-dimensional (2D) materials within the GW self-energy approximation has proven to be a rather demanding computational task. The main reason is the strong q dependence of the 2D dielectric function around q = 0 that calls for a much denser...

  5. Raman band intensities of tellurite glasses.

    Science.gov (United States)

    Plotnichenko, V G; Sokolov, V O; Koltashev, V V; Dianov, E M; Grishin, I A; Churbanov, M F

    2005-05-15

    Raman spectra of TeO2-based glasses doped with WO3, ZnO, GeO2, TiO2, MoO3, and Sb2O3 are measured. The intensity of bands in the Raman spectra of MoO3-TeO2 and MoO3-WO3-TeO2 glasses is shown to be 80-95 times higher than that for silica glass. It is shown that these glasses can be considered as one of the most promising materials for Raman fiber amplifiers.

  6. A first principle Comparative study of electronic and optical properties of 1H –MoS2 and 2H –MoS2

    International Nuclear Information System (INIS)

    Kumar, Ashok; Ahluwalia, P.K.

    2012-01-01

    First principle calculations of electronic and optical properties of monolayer MoS 2 , so called 1H –MoS 2 , is performed which has emerged as a new direct band gap semiconductor. Before calculations of the properties of 1H –MoS 2 , we have calculated structural parameters, electronic properties (electronic band structure and electronic density of states) and frequency dependent optical response (real and imaginary part of dielectric function, energy loss function, absorption and reflectance spectra) of 2H –MoS 2 and compared with existing experimental results and found that our calculated results are in very good agreements with experimental results. To compare the dielectric functions of bulk (2H –MoS 2 ) and monolayer (1H –MoS 2 ) phases we have further extended these calculations to the single layer MoS 2 (1H –MoS 2 ) which is analogous to graphene. Structural parameters of 1H –MoS 2 are found very close to its bulk 2H –MoS 2 . We find direct electronic band gap at ‘K’ high symmetry point as compared to indirect band gap in its bulk 2H – MoS2. Our calculated dielectric function for 1H – MoS2 shows structure at nearly same energy positions as compared to 2H – MoS2 with additional structure at 3.8 eV. Also additional well defined energy loss peaks revealing the plasmonic resonances at 15.7 eV and 16.0 eV for E vector perpendicular and parallel to c axis respectively for 1H – MoS2 have been found, which are the signatures of surface plasmons at these energies. -- Highlights: ► Structural parameters of 2H-MoS2 and 1H-MoS2 are nearly identical. ► States around the Fermi energy are mainly due to the metal d states. ► Strong hybridization between Mo-d and S-p states below the Fermi energy has been found. ► Optical spectra of 2H-MoS2 finds very good agreements with experimental optical spectra. ► The band gap is found to be direct for 1H-MoS2 as compared to indirect for 2H-MoS2.

  7. Phase formation in the Li2MoO4–K2MoO4–In2(MoO4)3 system and crystal structures of new compounds K3InMo4O15 and LiK2In(MoO4)3

    International Nuclear Information System (INIS)

    Khal’baeva, Klara M.; Solodovnikov, Sergey F.; Khaikina, Elena G.; Kadyrova, Yuliya M.; Solodovnikova, Zoya A.; Basovich, Olga M.

    2012-01-01

    XRD study of solid-phase interaction in the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system was performed. The boundary K 2 MoO 4 –In 2 (MoO 4 ) 3 system is an non-quasibinary join of the K 2 O–In 2 O 3 –MoO 3 system where a new polymolybdate K 3 InMo 4 O 15 isotypic to K 3 FeMo 4 O 15 was found. In the structure (a=33.2905(8), b=5.8610(1), c=15.8967(4) Å, β=90.725(1)°, sp. gr. C2/c, Z=8, R(F)=0.0407), InO 6 octahedra, Mo 2 O 7 diortho groups and MoO 4 tetrahedra form infinite ribbons {[In(MoO 4 ) 2 (Mo 2 O 7 )] 3− } ∞ along the b-axis. Between the chains, 8- to 10-coordinate potassium cations are located. A subsolidus phase diagram of the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system was constructed and a novel triple molybdate LiK 2 In(MoO 4 ) 3 was revealed. Its crystal structure (a=7.0087(2), b=9.2269(3), c=10.1289(3) Å, β=107.401(1)°, sp. gr. P2 1 , Z=2, R(F)=0.0280) contains an open framework of vertex-shared MoO 4 tetrahedra, InO 6 octahedra and LiO 5 tetragonal pyramids with nine- and seven-coordinate potassium ions in the framework channels. - Graphical abstract: Exploring the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system showed its partial non-quasibinarity and revealed new compounds K 3 InMo 4 O 15 (isotypic to K 3 FeMo 4 O 15 ) and LiK 2 In(MoO 4 ) 3 which were structurally studied. An open framework of the latter is formed by vertex-shared MoO 4 tetrahedra, InO 6 octahedra and LiO 5 tetragonal pyramids. Highlights: ► Subsolidus phase relations in the Li 2 MoO 4 –K 2 MoO 4 –In 2 (MoO 4 ) 3 system were explored. ► The K 2 MoO 4 –In 2 (MoO 4 ) 3 system is a non-quasibinary join of the K 2 O–In 2 O 3 –MoO 3 system. ► New compounds K 3 InMo 4 O 15 and LiK 2 In(MoO 4 ) 3 were obtained and structurally studied. ► K 3 InMo 4 O 15 is isotypic to K 3 FeMo 4 O 15 and carries bands of InO 6 , MoO 4 and Mo 2 O 7 units. ► An open framework of LiK 2 In(MoO 4 ) 3 is formed by polyhedra MoO 4 , InO 6 and LiO 5 .

  8. 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.

  9. Excitation energy transfer to luminescence centers in M{sup II}MoO{sub 4} (M{sup II}=Ca, Sr, Zn, Pb) and Li{sub 2}MoO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Spassky, D.A., E-mail: deris2002@mail.ru [Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, Leninskie Gory 1, bld.2, 119991 Moscow (Russian Federation); National University of Science and Technology (MISiS), Leninsky Prospekt 4, 119049 Moscow (Russian Federation); Kozlova, N.S. [National University of Science and Technology (MISiS), Leninsky Prospekt 4, 119049 Moscow (Russian Federation); Nagirnyi, V. [Institute of Physics, University of Tartu, W. Ostwaldi 1, 50411 Tartu (Estonia); Savon, A.E. [Skobeltsyn Institute of Nuclear Physics, M.V. Lomonosov Moscow State University, Leninskie Gory 1, bld.2, 119991 Moscow (Russian Federation); Hizhnyi, Yu.A.; Nedilko, S.G. [Taras Shevchenko National University of Kyiv, Volodymyrska str. 64/13, 01601 Kyiv (Ukraine)

    2017-06-15

    Based on the results of spectroscopy studies and electronic band structure calculations, the analysis of excitation energy transformation into luminescence is performed for a set of molybdates M{sup II}MoO{sub 4} (M{sup II}=Ca, Sr, Zn, Pb) and Li{sub 2}MoO{sub 4}. The bandgap energies were determined from comparison of experimental and calculated reflectivity spectra as 3.3 eV for PbMoO{sub 4}, 4.3 eV for ZnMoO{sub 4}, 4.4 eV for CaMoO{sub 4}, 4.7 eV for SrMoO{sub 4}, and 4.9 eV for Li{sub 2}MoO{sub 4}. It is shown that photoluminescence excitation spectra of these materials reveal the specific features of their conduction bands. The threshold of separated charge carriers’ creation is shown to be by 1.3–1.9 eV higher than the bandgap energy in CaMoO{sub 4}, SrMoO{sub 4} and ZnMoO{sub 4}. The effect is explained by the peculiarities of conduction band structure, namely to the presence of gap between the subbands of the conduction band and to the low mobility of electrons in the lower sub-band of the conduction band.

  10. Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)

    International Nuclear Information System (INIS)

    Han, Shujuan; Bai, Chunyan; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie

    2016-01-01

    Two isotypic compounds, Na 3 MO 4 Cl (M = W, Mo) have been obtained from the high temperature solution, and their structures were determined by single-crystal X-ray diffraction. Both of them crystallize in the space group P4/nmm of tetragonal system with the unit cells: a=7.5181(15), c=5.360(2) for Na 3 WO 4 Cl and a=7.4942(12), c=5.3409(18) for Na 3 MoO 4 Cl. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. The structural similarities and differences between Na 3 MO 4 Cl (M=W, Mo) and Sr 3 MO 4 F (M=Al, Ga) have been discussed. Meanwhile, detailed structure comparison analyses between Na 3 MO 4 Cl (M=W, Mo) and Na 3 MO 4 F (M=W, Mo) indicate that the different connection modes of ClNa 6 and FNa 6 make Na 3 MO 4 Cl and Na 3 MO 4 F crystallize in different structures. The IR spectra were used to verify the validity of the structure. The diffuse reflectance spectra show that the UV absorption edges are about 249 nm (4.99 eV) and 265 nm (4.69 eV) for Na 3 WO 4 Cl and Na 3 MoO 4 Cl, respectively. In addition, the first-principles theoretical studies are also carried out to aid the understanding of electronic structures and linear optical properties. - Graphical abstract: Two isotypic compounds, Na 3 MO 4 Cl (M=W, Mo) have been obtained from the high temperature solution. Both of them crystallize in the space group P4/nmm of tetragonal system. The structure exhibits a 3D network built up by the ClNa 6 groups, and the MO 4 groups reside in the tunnels of the 3D network. - Highlights: • Structure and properties of Na 3 MO 4 Cl (M=W, Mo) are reported for the first time. • They show a 3D network built by ClNa 6 , and WO 4 lies in the tunnels of the network. • IR spectra were used to verify the validity of the structure. • Band structures and density of states have been calculated.

  11. 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

  12. High performance Mo adsorbent PZC

    Energy Technology Data Exchange (ETDEWEB)

    Anon,

    1998-10-01

    We have developed Mo adsorbents for natural Mo(n, {gamma}){sup 99}Mo-{sup 99m}Tc generator. Among them, we called the highest performance adsorbent PZC that could adsorb about 250 mg-Mo/g. In this report, we will show the structure, adsorption mechanism of Mo, and the other useful properties of PZC when you carry out the examination of Mo adsorption and elution of {sup 99m}Tc. (author)

  13. 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....

  14. Decay of 99Mo

    International Nuclear Information System (INIS)

    Dickens, J.K.; Love, T.A.

    1976-01-01

    Relative intensities for K x-rays and gamma rays emanating from 99 Mo in equilibrium with its 99 Tc* daughter have been measured using several Ge photon detectors. Combining these intensities with an evaluated set of electron-conversion coefficients has provided a set of absolute intensities for the observed gamma rays. The absolute intensity for the dominant 140.5-keV gamma ray in 99 Tc was determined to be 90.7 +- 0.6/100 99 Mo disintegrations for 99 Mo decay in equilibrium with decay of the 99 Tc* daughter

  15. Oxygen deficiency in MoO{sub 3} polycrystalline nanowires and nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Varlec, Ana, E-mail: ana.varlec@ijs.si [Condensed Matter Physics, Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Arčon, Denis [Condensed Matter Physics, Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Faculty of Mathematics and Physics, University of Ljubljana, Jadranska cesta 19, SI-1000 Ljubljana (Slovenia); Škapin, Srečo D. [Advanced Materials Department, Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Remškar, Maja [Condensed Matter Physics, Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia)

    2016-02-15

    We report on the synthesis of polycrystalline molybdenum oxide (MoO{sub 3}) nanowires via oxidation of molybdenum-sulfur-iodine (Mo{sub 6}S{sub 2}I{sub 8}) nanowires. This unique synthesis route results in an interesting morphology comprising porous nanowires and nanotubes. We found the nanowires to have the orthorhombic MoO{sub 3} structure. The structure is slightly oxygen deficient which results in the appearance of a new resonant Raman band (1004 cm{sup −1}) and paramagnetic defects (Mo{sup 5+}) of both the point and crystallographic shear plane nature. - Highlights: • Polycrystalline MoO{sub 3} nanowires were obtained via oxidation of Mo{sub 6}S{sub 2}I{sub 8} nanowires. • Nanowires are porous and tubular with either filled or empty interior. • Nanowires are slightly oxygen deficient which leads to a new Raman band.

  16. MoEDAL expands

    CERN Multimedia

    Anaïs Schaeffer

    2011-01-01

    The MoEDAL collaboration deployed a test array of 18 plastic Nuclear Track Etch Detector (NTD) stacks – covering an area of 1 m2 – in the MoEDAL/VELO cavern at Point 8 of the LHC ring in November 2009. This small array was supplemented by a further 110 stacks this past January. The MoEDAL test array, which now covers an area of 8 m2, will reveal its secrets early in 2013. The full MoEDAL detector will be installed in the next long shutdown of the LHC in 2013.   View of the MoEDAL detectors installed at Point 8 of the LHC ring in January 2011. MoEDAL (Monopole and Exotics Detector At the LHC), the seventh LHC experiment, was approved by the CERN Research Board at the end of 2009. Its goal is to search for very specific exotics such as highly ionising massive stable (or pseudo-stable) particles with conventional electrical charge and magnetic monopoles. “The main LHC experiments are designed to detect conventionally charged particles, with conventional ionisation patte...

  17. Resonant photoelectron spectroscopy at the Mo 4p→4d absorption edge in MoS2

    International Nuclear Information System (INIS)

    Lince, J.R.; Didziulis, S.V.; Yarmoff, J.A.

    1991-01-01

    A systematic study has been conducted of the resonant behavior of the valence-band photoelectron spectrum of MoS 2 for hν=26--70 eV, spanning the Mo 4p→4d transition region. A broad Fano-like resonance appears at ∼42 eV in the constant-initial-state (CIS) intensity plot of the d z 2 peak near the valence-band maximum [∼2 eV binding energy (BE)], confirming its predominantly Mo 4d character. A second shoulder on the higher-hν side of the maximum in the d z 2 CIS intensity plot is suggested to result from transitions to unoccupied states in the 5sp band ∼10 eV above E F , by comparison with a partial-yield spectrum and previous inverse-photoemission data. The region of the valence band in the range 3--4.5-eV BE also exhibits resonant behavior, indicating Mo 4d character, although somewhat less than for the d z 2 peak. The 5--7-eV BE range does not exhibit resonance behavior at the Mo 4p edge and, therefore, contains negligible Mo 4d character. A feature at ∼30 eV in the CIS intensity plot for the 5--7-eV BE range could not be definitively assigned in this study, but may be due to a resonance between direct photoemission and a process involving absorption and autoionization of electronic states that contain Mo 5s and 5p character

  18. 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

  19. X-ray absorption spectroscopy of PbMoO 4 single crystals

    Indian Academy of Sciences (India)

    X-ray absorption spectra of PbMoO4 (LMO) crystals have been investigated for the first time in literature. The measurements have been carried out at Mo absorption edge at the dispersive EXAFS beamline (BL-8) of INDUS-2 Synchrotron facility at Indore, India. The optics of the beamline was set to obtain a band of 2000 eV ...

  20. 99Mo production by 100Mo(n,2n)99Mo using accelerator neutrons

    International Nuclear Information System (INIS)

    Sato, Nozomi; Kawabata, Masako; Nagai, Yasuki; Hashimoto, Kazuyuki; Hatsukawa, Yuichi; Saeki, Hideya; Motoishi, Shoji; Kin, Tadahiro; Konno, Chikara; Ochiai, Kentaro; Takakura, Kosuke; Minato, Futoshi; Iwamoto, Osamu; Iwamoto, Nobuyuki; Hashimoto, Shintaro

    2013-01-01

    We proposed a new route to produce a medical radioisotope 99 Mo by the 100 Mo(n,2n) 99 Mo reaction using accelerator neutrons. A high-quality 99 Mo with a minimum level of radioactive waste can be obtained by the proposed reaction. The decay product of 99 Mo, 99m Tc, is separated from 99 Mo by the sublimation method. The proposed route could bring a major breakthrough in the solution of ensuring a constant and reliable supply of 99 Mo. (author)

  1. Layer-by-layer thinning of MoSe_2 by soft and reactive plasma etching

    International Nuclear Information System (INIS)

    Sha, Yunfei; Xiao, Shaoqing; Zhang, Xiumei; Qin, Fang; Gu, Xiaofeng

    2017-01-01

    Highlights: • Soft plasma etching technique using SF_6 + N_2 as precursors for layer-by-layer thinning of MoSe_2 was adopted in this work. • Optical microscopy, Raman, photoluminescence and atomic force microscopy measurements were used to confirm the thickness change. • Layer-dependent vibrational and photoluminescence spectra of the etched MoSe_2 were also demonstrated. • Equal numbers of MoSe_2 layers can be removed uniformly without affecting the underlying SiO_2 substrate and the remaining MoSe_2 layers. - Abstract: Two-dimensional (2D) transition metal dichalcogenides (TMDs) like molybdenum diselenide (MoSe_2) have recently gained considerable interest since their properties are complementary to those of graphene. Unlike gapless graphene, the band structure of MoSe_2 can be changed from the indirect band gap to the direct band gap when MoSe_2 changed from bulk material to monolayer. This transition from multilayer to monolayer requires atomic-layer-precision thining of thick MoSe_2 layers without damaging the remaining layers. Here, we present atomic-layer-precision thinning of MoSe_2 nanaosheets down to monolayer by using SF_6 + N_2 plasmas, which has been demonstrated to be soft, selective and high-throughput. Optical microscopy, atomic force microscopy, Raman and photoluminescence spectra suggest that equal numbers of MoSe_2 layers can be removed uniformly regardless of their initial thickness, without affecting the underlying SiO_2 substrate and the remaining MoSe_2 layers. By adjusting the etching rates we can achieve complete MoSe_2 removal and any disired number of MoSe_2 layers including monolayer. This soft plasma etching method is highly reliable and compatible with the semiconductor manufacturing processes, thereby holding great promise for various 2D materials and TMD-based devices.

  2. Metallization and stiffness of the Li-intercalated MoS{sub 2} bilayer

    Energy Technology Data Exchange (ETDEWEB)

    Petrova, N.V. [Institute of Physics of National Academy of Sciences of Ukraine, Prospect Nauki 46, Kiev 03028 (Ukraine); Yakovkin, I.N., E-mail: yakov@iop.kiev.ua [Institute of Physics of National Academy of Sciences of Ukraine, Prospect Nauki 46, Kiev 03028 (Ukraine); Zeze, D.A. [School of Engineering & Computing Sciences, Durham University, Durham DH1 3LE (United Kingdom)

    2015-10-30

    Graphical abstract: The band structures, DOS, and Fermi surfaces for the MoS{sub 2} bilayer with adsorbed (a, c, e) and intercalated (b, d, f) Li (1 × 1) layer. - Highlights: • Adsorbed or intercalated Li monolayer makes the MoS{sub 2} surface metallic. • Increasing density of adsorbed Li leads to the nonmetal-to-metal transition in the layer. • Lithium inserted into MoS{sub 2} bilayers increases the interlayer interaction. - Abstract: Performed density-functional theory (DFT) calculations have shown that the Li adsorption on the MoS{sub 2} (0 0 0 1) surface, as well as Li intercalation into the space between MoS{sub 2} layers, transforms the semiconductor band structure of MoS{sub 2} into metallic. For the (√3 × √3) – R30° Li layer, the band structures of the MoS{sub 2} bilayer with adsorbed and intercalated Li are very similar, while for higher Li concentrations, the character of metallization for the adsorbed layer substantially differs from that of the MoS{sub 2}–Li–MoS{sub 2} layered system. In particular, for the adsorbed (1 × 1) Li monolayer, the increased density of the layer leads to the nonmetal-to-metal transition, which is evident from the appearance of the band crossing E{sub F} with an upward dispersion, pertinent to simple metals. It has been demonstrated that intercalated Li substantially increases the interlayer interaction in MoS{sub 2}. Specifically, the estimated 0.12 eV energy of the interlayer interaction in the MoS{sub 2} bilayer increases to 0.60 eV. This result is also consistent with results of earlier DFT calculations and available experimental results for alkali-intercalated graphene layers, which have demonstrated a substantial increase in the stiffness due to intercalation of alkalis.

  3. 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.

  4. Adsorption studies of alcohol molecules on monolayer MoS{sub 2} nanosheet—A first-principles insights

    Energy Technology Data Exchange (ETDEWEB)

    Nagarajan, V.; Chandiramouli, R., E-mail: rcmoulii@gmail.com

    2017-08-15

    Highlights: • The adsorption of methanol, ethanol & 1-propanol on MoS{sub 2} nanosheet are studied. • The PDOS & band structure confirms adsorption of alcohol vapors on MoS{sub 2} nanosheet. • The adsorption of 1-propanol vapor on MoS{sub 2} nanosheet is more favorable. • The alcohol molecules adsorption on MoS{sub 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{sub 2} nanosheet is investigated using DFT method. The structural stability of MoS{sub 2} nanosheet is ascertained with formation energy. The adsorption properties of alcohol molecules on MoS{sub 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{sub 2} nanosheet are studied in atomistic level. The projected density of states (PDOS) spectrum gives the clear insights on the electronic properties of MoS{sub 2} nanosheet. The PDOS and energy band structure confirmed the adsorption of alcohol vapors on MoS{sub 2} nanosheet. The variation in the band structure and PDOS is noticed upon adsorption of methanol, ethanol and 1-propanol molecules on MoS{sub 2} nanosheet. The PDOS spectrum also reveals the variation in peak maxima owing to transfer of electron between alcohol molecules and MoS{sub 2} base material. The adsorption of 1-propanol vapor on MoS{sub 2} nanosheet is observed to be more favorable than other alcohol molecules. The findings confirm that monolayer MoS{sub 2} nanosheet can be used to detect the presence of alcohol vapors in the environment.

  5. Investigation of the optical properties of MoS{sub 2} thin films using spectroscopic ellipsometry

    Energy Technology Data Exchange (ETDEWEB)

    Yim, Chanyoung; O' Brien, Maria; Winters, Sinéad [School of Chemistry, Trinity College Dublin, Dublin 2 (Ireland); Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); McEvoy, Niall [Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); Mirza, Inam; Lunney, James G. [Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Duesberg, Georg S., E-mail: duesberg@tcd.ie [School of Chemistry, Trinity College Dublin, Dublin 2 (Ireland); Centre for Research on Adaptive Nanostructures and Nanodevices (CRANN), Trinity College Dublin, Dublin 2 (Ireland); Advanced Materials and BioEngineering Research (AMBER) Centre, Trinity College Dublin, Dublin 2 (Ireland)

    2014-03-10

    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{sub 2}) films, were extracted. In addition, the optical band gap was obtained from SE and showed a clear dependence on the MoS{sub 2} film thickness, with thinner films having a larger band gap energy. These results are consistent with theory and observations made on MoS{sub 2} flakes prepared by exfoliation, showing the viability of vapor phase derived TMDs for optical applications.

  6. 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

  7. Congenital Constriction Band Syndrome

    OpenAIRE

    Rajesh Gupta, Fareed Malik, Rishabh Gupta, M.A.Basit, Dara Singh

    2008-01-01

    Congenital constriction bands are anomalous bands that encircle a digit or an extremity. Congenitalconstriction band syndrome is rare condition and is mostly associated with other musculoskeletaldisorders.We report such a rare experience.

  8. Density of states in Mo-Ru amorphous alloys

    International Nuclear Information System (INIS)

    Miyakawa, W.

    1985-01-01

    The density of states is calculated for several compositions of amorphous Mo 1-x Ru x . In order to simulate amorphous clusters, the structures (atomic positions) utilized in the calculations were built from a small dense randomly packed unit of hard spheres with periodic boundary conditions. The density of states is calculated from a tight-binding Hamiltonian with hopping integrals parametrized in terms of the ddσ, ddΠ and ddδ molecular integrals. The results for pure Mo and pure Ru, compared in the canonical band aproximation, agree well with the literature. For binary alloys, the comparison of the calculated density of states with the rigid band aproximation results indicates that a more complex approach than the rigid band model must be used, even when the two atoms have similar bands, with band centers at nearly the same energy. The results also indicate that there is no relation between the peak in the superconducting critical temperature as a function of the number of valence eletrons per atom (e/a) in the region near Mo(e/a=6) and the peak of the density of states at the Fermi level in the same region, as has been sugested by some authors. (Author) [pt

  9. 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.

  10. Occupied and unoccupied electronic structure of Na doped MoS{sub 2}(0001)

    Energy Technology Data Exchange (ETDEWEB)

    Komesu, Takashi; Zhang, Xin; Dowben, P. A. [Department of Physics and Astronomy, Theodore Jorgensen Hall, 855 N 16th St., University of Nebraska, Lincoln, Nebraska 68588-0299 (United States); Le, Duy; Rahman, Talat S. [Department of Physics, University of Central Florida, 4000 Central Florida Blvd., Orlando, Florida 32816 (United States); Ma, Quan; Bartels, Ludwig [Department of Chemistry and the Materials Science and Engineering Program, University of California - Riverside, Riverside, California 92521 (United States); Schwier, Eike F.; Iwasawa, Hideaki; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Kojima, Yohei; Zheng, Mingtian [Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan); Taniguchi, Masaki [Hiroshima Synchrotron Radiation Center, Hiroshima University, Higashi-Hiroshima 739-0046 (Japan); Graduate School of Science, Hiroshima University, Higashi-Hiroshima 739-8526 (Japan)

    2014-12-15

    The influence of sodium on the band structure of MoS{sub 2}(0001) and the comparison of the experimental band dispersion with density functional theory show excellent agreement for the occupied states (angle-resolved photoemission) and qualitative agreement for the unoccupied states (inverse photoemission spectroscopy). Na-adsorption leads to charge transfer to the MoS{sub 2} surface causing an effect similar to n-type doping of a semiconductor. The MoS{sub 2} occupied valence band structure shifts rigidly to greater binding with little change in the occupied state dispersion. Likewise, the unoccupied states shift downward, approaching the Fermi level, yet the amount of the shift for the unoccupied states is greater than that of the occupied states, effectively causing a narrowing of the MoS{sub 2} bandgap.

  11. Crystal structure and thermal stability of AgIn(MoO4)2

    International Nuclear Information System (INIS)

    Klevtsov, P.V.; Solodovnikov, S.F.; Perepelitsa, A.P.; Klevtsova, R.F.

    1984-01-01

    Tetragonal crystals of double molybdate AgIn(MoO 4 ) 2 are prepared bi crystallization from solution in Ag 2 Mo 2 O 7 melt (a=4.998, c=36.725 A, space group I4 1 , Z=6). Its crystal structure is determined (autodaffractometer ''Syntex P2 1 '', MoKsub(α)-radiation, 876 reflections, R=0.054) in which along with Mo-tetrahedrons Mo-octahedrons are present. By mutual edges latter are united into bands forming fragments of wolframite structure alonside with (In, Ag) octahedrons. In the direction of c axis wolframite fragments alternate with scheelite fragments consisting of Mo-tetrahedrons and Ag-octavertices. The crystallochemical formula of the compound is Ag(Insub(0.75)Agsub(0.25))sub(2)Mosub(2)Osub(8) [MoO 4 ]. At a temperature of about 600 deq C AgIn-molybdate transforms into modification with NaIn(MoO 4 ) 2 structure NaIn(MoO 4 ) 2 and melts at 650 deg C decomposing into In 2 (MoO 4 ) 3 solid phase and Ag 2 MoO 4 melt

  12. 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.

  13. 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.

  14. A model for the direct-to-indirect band-gap transition in monolayer ...

    Indian Academy of Sciences (India)

    Abstract. A monolayer of MoSe2 is found to be a direct band-gap semiconductor. We show, ... In order to determine appropriate basis for the tight-binding model, the Mo and Se ..... RD thanks the Council of Scientific and Industrial Research.

  15. High density of (pseudo) periodic twin-grain boundaries in molecular beam epitaxy-grown van der Waals heterostructure: MoTe{sub 2}/MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, Horacio Coy; Ma, Yujing; Chaghi, Redhouane; Batzill, Matthias [Department of Physics, University of South Florida, Tampa, Florida 33620 (United States)

    2016-05-09

    Growth of transition metal dichalcogenide heterostructures by molecular beam epitaxy (MBE) promises synthesis of artificial van der Waals materials with controllable layer compositions and separations. Here, we show that MBE growth of 2H-MoTe{sub 2} monolayers on MoS{sub 2} substrates results in a high density of mirror-twins within the films. The grain boundaries are tellurium deficient, suggesting that Te-deficiency during growth causes their formation. Scanning tunneling microscopy and spectroscopy reveal that the grain boundaries arrange in a pseudo periodic “wagon wheel” pattern with only ∼2.6 nm repetition length. Defect states from these domain boundaries fill the band gap and thus give the monolayer an almost metallic property. The band gap states pin the Fermi-level in MoTe{sub 2} and thus determine the band-alignment in the MoTe{sub 2}/MoS{sub 2} interface.

  16. 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.

  17. RoMo

    DEFF Research Database (Denmark)

    Pedersen, Esben Warming; Hornbæk, Kasper

    2011-01-01

    In TUIs, physical/digital conflicts can occur when the digital model does not match the model implied by the spatial lay- out of tangibles. We show how tangible tabletop interfaces (TTI) can be modified to allow robot movement of tangi- bles, thereby avoiding conflicts. We present RoMo, an open...... source Java library that allow existing TTI applications to perform robot movement, and demonstrate its functionality with three applications....

  18. 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.

  19. 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.

  20. MnMoO4 nanolayers : Synthesis characterizations and electrochemical detection of QA

    Science.gov (United States)

    Muthamizh, S.; Kumar, S. Praveen; Munusamy, S.; Narayanan, V.

    2018-04-01

    MnMoO4 nanolayers were prepared by precipitation method. The MnMoO4 nanolayers were synthesized by using commercially available (CH3COO)2Mn.4H2O and Na2WO4.2H2O. The XRD pattern reveals that the synthesized MnMoO4 has monoclinic structure. In addition, lattice parameter values were also calculated using XRD data. The Raman analysis confirm the presence of Mo-O in MnMoO4 nanolayers. DRS-UV analysis shows that MnMoO4 has a band gap of 2.59 eV. FE-SEM and HR-TEM analysis along with EDAX confirms the material morphology in stacked layers like structure in nano scale. Synthesized nanolayers were utilized for the detection of biomolecule quercetin (QA).

  1. Enhancing photoresponsivity using MoTe2-graphene vertical heterostructures

    Science.gov (United States)

    Kuiri, Manabendra; Chakraborty, Biswanath; Paul, Arup; Das, Subhadip; Sood, A. K.; Das, Anindya

    2016-02-01

    MoTe2 with a narrow band-gap of ˜1.1 eV is a promising candidate for optoelectronic applications, especially for the near-infrared photo detection. However, the photo responsivity of few layers MoTe2 is very small (graphene vertical heterostructures have a much larger photo responsivity of ˜20 mA W-1. The trans-conductance measurements with back gate voltage show on-off ratio of the vertical transistor to be ˜(0.5-1) × 105. The rectification nature of the source-drain current with the back gate voltage reveals the presence of a stronger Schottky barrier at the MoTe2-metal contact as compared to the MoTe2-graphene interface. In order to quantify the barrier height, it is essential to measure the work function of a few layers MoTe2, not known so far. We demonstrate a method to determine the work function by measuring the photo-response of the vertical transistor as a function of the Schottky barrier height at the MoTe2-graphene interface tuned by electrolytic top gating.

  2. 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.

  3. Diffusion barrier performances of thin Mo, Mo-N and Mo/Mo-N films between Cu and Si

    International Nuclear Information System (INIS)

    Song Shuangxi; Liu Yuzhang; Mao Dali; Ling Huiqin; Li Ming

    2005-01-01

    In this work, we have studied the diffusion barrier performances of Mo, Mo-N and Mo/Mo-N metallization layers deposited by sputtering Mo in Ar/N 2 atmospheres, respectively. Samples were subsequently annealed at different temperatures ranging from 400 to 800 deg C in vacuum condition. The film properties and their suitability as diffusion barriers and protective coatings in silicon devices were characterized using four-point probe measurement, X-ray diffractometry, scanning electron microscopy, Auger electron spectroscopy and transmission electron microscopy analyses. Experimental results revealed that the Mo (20 nm)/Mo-N (30 nm) layer was able to prevent the diffusion reaction between Cu and Si substrate after being annealed at 600 deg C for 30 min. The adhesion between layers and the content of N atoms are the key parameters to improve the properties of Mo-based barrier materials. The Mo layer interposed between Cu and Mo-N diluted the high nitrogen concentration of the barrier and so enhanced the barrier performances

  4. Photoluminescence properties of BaMoO4 amorphous thin films

    International Nuclear Information System (INIS)

    Marques, Ana Paula Azevedo; Melo, Dulce M.A. de; Longo, Elson; Paskocimas, Carlos A.; Pizani, Paulo S.; Leite, Edson R.

    2005-01-01

    BaMoO 4 amorphous and crystalline thin films were prepared from polymeric precursors. The BaMoO 4 was deposited onto Si wafers by means of the spinning technique. The structure and optical properties of the resulting films were characterized by FTIR reflectance spectra, X-ray diffraction (XRD), atomic force microscopy (AFM) and optical reflectance. The bond Mo-O present in BaMoO 4 was confirmed by FTIR reflectance spectra. XRD characterization showed that thin films heat-treated at 600 and 200 deg. C presented the scheelite-type crystalline phase and amorphous, respectively. AFM analyses showed a considerable variation in surface morphology by comparing samples heat-treated at 200 and 600 deg. C. The reflectivity spectra showed two bands, positioned at 3.38 and 4.37 eV that were attributed to the excitonic state of Ba 2+ and electronic transitions within MoO 2- 4 , respectively. The optical band gaps of BaMoO 4 were 3.38 and 2.19 eV, for crystalline (600 deg. C/2 h) and amorphous (200 deg. C/8 h) films, respectively. The room-temperature luminescence spectra revealed an intense single-emission band in the visible region. The PL intensity of these materials was increased upon heat-treatment. The excellent optical properties observed for BaMoO 4 amorphous thin films suggested that this material is a highly promising candidate for photoluminescent applications

  5. Electronic properties of mixed molybdenum dichalcogenide MoTeSe: LCAO calculations and Compton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ahuja, Ushma [Department of Electrical Engineering, Veermata Jijabai Technological Institute, H. R. Mahajani Marg, Matunga (East), Mumbai 400019, Maharashtra (India); Kumar, Kishor; Joshi, Ritu [Department of Physics, University College of Science, M.L. Sukhadia University, Udaipur 313001, Rajasthan (India); Bhavsar, D.N. [Department of Physics, Bhavan' s Seth R.A. College of Science, Khanpur, Ahmedabad 380001, Gujarat (India); Heda, N.L., E-mail: nlheda@yahoo.co.in [Department of Pure and Applied Physics, University of Kota, Kota 324007, Rajasthan (India)

    2016-07-01

    We have employed linear combination of atomic orbitals (LCAO) method to compute the Mulliken’s population (MP), energy bands, density of states (DOS) and Compton profiles for hexagonal MoTeSe. The density functional theory (DFT) and hybridization of Hartree-Fock with DFT (B3LYP) have been used within the LCAO approximation. Performance of theoretical models has been tested by comparing the theoretical momentum densities with the experimental Compton profile of MoTeSe measured using {sup 137}Cs Compton spectrometer. It is seen that the B3LYP prescription gives a better agreement with the experimental data than other DFT based approximations. The energy bands and DOS depict an indirect band gap character in MoTeSe. In addition, a relative nature of bonding in MoTeSe and its isovalent MoTe{sub 2} is discussed in terms of equal-valence-electron-density (EVED) profiles. On the basis of EVED profiles it is seen that MoTeSe is more covalent than MoTe{sub 2}.

  6. NMR and XAS Study of Fe-Mo Double Perovskites

    International Nuclear Information System (INIS)

    Zajac, D.A.; Kapusta, C.; Borowiec, M.; Sikora, M.; Marquina, C.; Blasco, J.; Ibarra, M.R.

    2005-01-01

    The results of NMR and XAS measurements of the A 2 FeMoO 6 double perovskites (DP) (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) at the Fe and Mo K edges are reported and the information on the individual site electronic and magnetic properties is analysed. The compounds studied belong to the family of materials exhibiting a high field '' colossal '' magnetoresistance as well as a low field '' giant '' magnetoresistance. Magnetoresistive properties of the compounds arise from their half-metallicity, i.e. only one spin direction being populated in the conduction band, which consists of overlapping spin down 3d Fe, 2p O and 4d Mo electron bands. Within the model, a spin-down electron undergoes a fast hopping through unoccupied oxygen 2p orbitals between Fe 3+ (3d 5 - spin up) and Mo 6+ (4d 0 ) ionic cores. This mechanism implicates an anti-parallel coupling of the Fe and Mo spins and leads to non-integer magnetic moments and a metallic character below TC. The interaction, in analogy with the '' double exchange '' (DE) in manganites, is called '' double exchange-like '' interaction. The superexchange interaction (SE) is also expected to be present, resulting also in an anti-parallel coupling of 3d Fe 3+ and 4d Mo 5+ spins through occupied oxygen 2p orbitals. The insulating character of SE is connected with an increase of the tilt angle of the Fe-O-Mo bond, which is related to a change of the structural tolerance factor f and results in structural distortions. The molybdenum NMR measurements revealed the existence of a non-integer magnetic moment at Mo and Fe, which can be attributed to the DE-like interaction. However, experiments using Moessbauer spectroscopy have shown the existence of two Fe ionisation states - with integer (SE) and non integer (DE) magnetic moments. The 95 Mo and 97 Mo NMR measurements on A 2 FeMoO 6 (A 2 =Sr 2 , SrBa, Ba 2 , Ca 2 ) presented in this work show different values of the Mo hyperfine field and the corresponding magnetic moment. This is attributed

  7. Search for positive parity bands in 117Xe

    International Nuclear Information System (INIS)

    Liu, Z.; Sun, X.; Zhou, X.; Lei, X.; Zhang, Y.; Jin, H.; Pan, Q.; Guo, Y.; Chen, X.; Luo, Y.; Wen, S.; Yuan, G.; Yang, C.; Luo, W.; Chen, Y.S.; Xing, Z.; Chen, X.Q.

    1995-01-01

    Excited states of 117 Xe were populated via the reaction 28 Si+ 92 Mo at 100-120MeV. More than 40 new γ-transitions and three new positive parity bands have been observed by means of in-beam γ-ray spectroscopy. The previously known νh 11/2 bands were confirmed, and the νg 7/2 favored band was extended up to 47/2 + in which two bandcrossings have been observed at hω=0.33 and 0.44MeV, respectively. The band structures have been discussed by means of TRS and CSM calculations. A newly observed rotational band consisting of five γ-transitions has been considered as the πh 11/2 band of 117 Cs. ((orig.))

  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. Probing the Optical Properties and Strain-Tuning of Ultrathin Mo1- xW xTe2.

    Science.gov (United States)

    Aslan, Ozgur Burak; Datye, Isha M; Mleczko, Michal J; Sze Cheung, Karen; Krylyuk, Sergiy; Bruma, Alina; Kalish, Irina; Davydov, Albert V; Pop, Eric; Heinz, Tony F

    2018-04-11

    Ultrathin transition metal dichalcogenides (TMDCs) have recently been extensively investigated to understand their electronic and optical properties. Here we study ultrathin Mo 0.91 W 0.09 Te 2 , a semiconducting alloy of MoTe 2 , using Raman, photoluminescence (PL), and optical absorption spectroscopy. Mo 0.91 W 0.09 Te 2 transitions from an indirect to a direct optical band gap in the limit of monolayer thickness, exhibiting an optical gap of 1.10 eV, very close to its MoTe 2 counterpart. We apply tensile strain, for the first time, to monolayer MoTe 2 and Mo 0.91 W 0.09 Te 2 to tune the band structure of these materials; we observe that their optical band gaps decrease by 70 meV at 2.3% uniaxial strain. The spectral widths of the PL peaks decrease with increasing strain, which we attribute to weaker exciton-phonon intervalley scattering. Strained MoTe 2 and Mo 0.91 W 0.09 Te 2 extend the range of band gaps of TMDC monolayers further into the near-infrared, an important attribute for potential applications in optoelectronics.

  10. 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

  11. Band structure of semiconductors

    CERN Document Server

    Tsidilkovski, I M

    2013-01-01

    Band Structure of Semiconductors provides a review of the theoretical and experimental methods of investigating band structure and an analysis of the results of the developments in this field. The book presents the problems, methods, and applications in the study of band structure. Topics on the computational methods of band structure; band structures of important semiconducting materials; behavior of an electron in a perturbed periodic field; effective masses and g-factors for the most commonly encountered band structures; and the treatment of cyclotron resonance, Shubnikov-de Haas oscillatio

  12. 76 FR 6789 - Unlicensed Operation in the TV Broadcast Bands

    Science.gov (United States)

    2011-02-08

    ... expertise to administer a TV band database and its business plan to operate it for a five-year term, (2) the... multiple databases, (3) diagrams of the architecture of the database system and a detailed description of... and management of the database administrators(s) and their functions. The Second MO&O also made...

  13. Photoemission study on the formation of Mo contacts to CuInSe2

    International Nuclear Information System (INIS)

    Nelson, A.J.; Niles, D.W.; Kazmerski, L.L.; Rioux, D.; Patel, R.; Hoechst, H.

    1992-01-01

    Synchrotron radiation soft-x-ray photoemission spectroscopy was used to investigate the development of the electronic structure at the Mo/CuInSe 2 interface. Mo overlayers were e-beam deposited in steps on single-crystal n-type CuInSe 2 at ambient temperature. Photoemission measurements were acquired after each growth in order to observe changes in the valence-band electronic structure as well as changes in the In 4d, Se 3d, and Mo 4d core lines. Photoemission measurements on the valence-band and core lines were also obtained after annealing. The results were used to correlate the interface chemistry with the electronic structure at this interface and to directly determine the maximum possible Schottky barrier height φ b to be ≤0.2 eV at the Mo/CuInSe 2 junction before annealing, thus showing that this contact is essentially ohmic

  14. New perspective in the use of soft rotor formula for K = 2 γ-band

    Indian Academy of Sciences (India)

    The systematic dependence of the softness parameter on energy ratio ... Nuclear structure; γ-band; even Z even N nuclei; soft rotor formula; softness ..... MoI of ground band of nuclei listed in table 2 in rotor model. 80. Pramana – J. Phys., Vol.

  15. Structural, morphological, and optical characterizations of Mo, CrN and Mo:CrN sputtered coatings for potential solar selective applications

    Science.gov (United States)

    Ibrahim, Khalil; Mahbubur Rahman, M.; Taha, Hatem; Mohammadpour, Ehsan; Zhou, Zhifeng; Yin, Chun-Yang; Nikoloski, Aleksandar; Jiang, Zhong-Tao

    2018-05-01

    Mo, CrN, and Mo:CrN sputtered coatings synthesized onto silicon Si(100) substrates were investigated as solar selective surfaces and their potential applications in optical devices. These coatings were characterized using XRD, SEM, UV-vis, and FTIR techniques. XRD investigation, showed a change in CrN thin film crystallite characteristic due to Mo doping. Compared to the CrN coating, the Mo:CrN film has a higher lattice parameter and lower grain size of 4.19 nm and 106.18 nm, respectively. FESEM morphology confirmed the decrement in Mo:CrN crystal size due to Mo doping. Optical analysis showed that in the visible range of the solar spectrum, the CrN coatings exhibit the highest solar absorptance of 66% while the lowest thermal emittance value of 5.67 was recorded for the CrN coating doped with Mo. Consequently, the highest solar selectivity of 9.6, and the energy band-gap of 2.88 eV were achieved with the Mo-doped CrN coatings. Various optical coefficients such as optical absorption coefficient, refractive index, extinction coefficient, real and imaginary parts of dielectric constants, and energy loss functions of these coatings were also estimated from the optical reflectance data recorded in the wavelength range of 190-2300 nm.

  16. MoO3 incorporation in magnesium aluminosilicate glasses

    International Nuclear Information System (INIS)

    Tan, Shengheng; Ojovan, Michael I.; Hyatt, Neil C.; Hand, Russell J.

    2015-01-01

    Molybdate has a very low solubility in silicate and borosilicate glass systems and its excess presence in nuclear waste glass can cause the formation of a readily soluble “yellow phase”. In this study, the incorporation of molybdenum oxide (MoO 3 ) in a magnesium aluminosilicate glass system has been investigated. The prepared glasses show a higher than 90% molybdenum retention rate and up to 5.34 mol% (12.28 wt%) MoO 3 can be incorporated into these glasses without causing visible phase separation. The incorporation of MoO 3 increases glass density, decreases glass transition and crystallisation temperatures and intensifies Raman bands assigned to vibrations of MoO 4 2− units. When excess molybdate is added liquid–liquid phase separation and crystallisation occurs. The separated phase is spherical, 200–400 nm in diameter and randomly dispersed. Based on powder X-ray diffraction, Raman spectroscopy and transmission electron microscopy, the separated phase is identified as MgMoO 4

  17. MoO{sub 3} incorporation in magnesium aluminosilicate glasses

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Shengheng; Ojovan, Michael I.; Hyatt, Neil C.; Hand, Russell J.

    2015-03-15

    Molybdate has a very low solubility in silicate and borosilicate glass systems and its excess presence in nuclear waste glass can cause the formation of a readily soluble “yellow phase”. In this study, the incorporation of molybdenum oxide (MoO{sub 3}) in a magnesium aluminosilicate glass system has been investigated. The prepared glasses show a higher than 90% molybdenum retention rate and up to 5.34 mol% (12.28 wt%) MoO{sub 3} can be incorporated into these glasses without causing visible phase separation. The incorporation of MoO{sub 3} increases glass density, decreases glass transition and crystallisation temperatures and intensifies Raman bands assigned to vibrations of MoO{sub 4}{sup 2−} units. When excess molybdate is added liquid–liquid phase separation and crystallisation occurs. The separated phase is spherical, 200–400 nm in diameter and randomly dispersed. Based on powder X-ray diffraction, Raman spectroscopy and transmission electron microscopy, the separated phase is identified as MgMoO{sub 4}.

  18. Characterization of the reaction layer in U-7wt%Mo/Al diffusion couples

    Energy Technology Data Exchange (ETDEWEB)

    Mirandou, M.I.; Balart, S.N.; Ortiz, M.; Granovsky, M.S. E-mail: granovsk@cnea.gov.ar

    2003-11-15

    The reaction layer in chemical diffusion couples U-7wt%Mo/Al was investigated using optical and scanning electron microscopy, electron probe microanalysis and X-ray diffraction (XRD) techniques. When the U-7wt%Mo alloy was previously homogenized and the {gamma}(U, Mo) phase was retained, the formation of (U, Mo)Al{sub 3} and (U, Mo)Al{sub 4} was observed at 580 deg. C. Also a very thin band was detected close to the Al side, the structure of the ternary compound Al{sub 20}UMo{sub 2} might be assigned to it. When the decomposition of the {gamma}(U, Mo) took place, a drastic change in the diffusion behavior was observed. In this case, XRD indicated the presence of phases with the structures of (U, Mo)Al{sub 3}, Al{sub 43}U{sub 6}Mo{sub 4}, {gamma}(U, Mo) and {alpha}(U) in the reaction layer.

  19. Tuning the electrical transport of type II Weyl semimetal WTe2 nanodevices by Mo doping

    Science.gov (United States)

    Fu, Dongzhi; Pan, Xingchen; Bai, Zhanbin; Fei, Fucong; Umana-Membreno, Gilberto A.; Song, Honglian; Wang, Xuelin; Wang, Baigeng; Song, Fengqi

    2018-04-01

    We fabricated nanodevices from MoxW1-xTe2 (x = 0, 0.07, 0.35), and conducted a systematic comparative study of their electrical transport. Magnetoresistance measurements show that Mo doping can significantly suppress mobility and magnetoresistance. The results for the analysis of the two band model show that doping with Mo does not break the carrier balance. Through analysis of Shubnikov-de Haas oscillations, we found that Mo doping also has a strong suppressive effect on the quantum oscillation of the sample, and the higher the ratio of Mo, the fewer pockets were observed in our experiments. Furthermore, the effective mass of electron and hole increases gradually with increasing Mo ratio, while the corresponding quantum mobility decreases rapidly.

  20. 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.

  1. Cyclic tensile response of Mo-27 at% Re and Mo-0.3 at% Si solid solution alloys

    Energy Technology Data Exchange (ETDEWEB)

    Yu, X.J.; Kumar, K.S., E-mail: Sharvan_Kumar@brown.edu

    2016-10-31

    Stress-controlled uniaxial cyclic tensile tests were conducted on binary Mo-27 at% Re and Mo-0.3 at% Si solid solutions as a function of temperature and compared against the previously reported cyclic response of pure Mo. The Mo-27 at% Re alloy with a recrystallized grain size of ~30 µm was evaluated in the temperature range 25 °C–800 °C at R=0.1 and stress range that was 80% of the ultimate tensile strength (UTS); a peak in fatigue life was observed between 300 °C and 500 °C. The decrease in fatigue life at the higher temperatures of 700 °C and 800 °C is attributed to dynamic strain aging. Transmission electron microscopy of the cyclically-deformed alloy revealed parallel bands of dislocation at room temperature that transitioned to a uniform cell structure at 500 °C and back to orthogonal planar arrays at 800 °C. The as-extruded Mo-0.3 at% Si alloy was evaluated from 25 °C to 1200 °C and showed superior fatigue life and ratcheting strain resistance as compared to pure Mo and the Mo-27 at% Re alloy (within the temperature range where data were available for comparison). The superior resistance is attributed to the high density of dislocations within the material in this mostly unrecrystallized state rather than Si in solid solution. Above 800 °C, the ratcheting strain increases and fatigue life decreases rapidly with increasing temperature and is associated with dynamic recovery.

  2. Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

    KAUST Repository

    Salawu, Omotayo Akande

    2016-09-29

    Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

  3. Vacancy formation in MoO3: hybrid density functional theory and photoemission experiments

    KAUST Repository

    Salawu, Omotayo Akande; Chroneos, Alexander; Vasilopoulou, Maria; Kennou, Stella; Schwingenschlö gl, Udo

    2016-01-01

    Molybdenum oxide (MoO3) is an important material that is being considered for numerous technological applications, including catalysis and electrochromism. In the present study, we apply hybrid density functional theory to investigate O and Mo vacancies in the orthorhombic phase. We determine the vacancy formation energies of different defect sites as functions of the electron chemical potential, addressing different charge states. In addition, we investigate the consequences of defects for the material properties. Ultraviolet photoemission spectroscopy is employed to study the valence band of stoichiometric and O defective MoO3. We show that O vacancies result in occupied in-gap states.

  4. 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.

  5. Band engineering in twisted molybdenum disulfide bilayers

    Science.gov (United States)

    Zhao, Yipeng; Liao, Chengwei; Ouyang, Gang

    2018-05-01

    In order to explore the theoretical relationship between interlayer spacing, interaction and band offset at the atomic level in vertically stacked two-dimensional (2D) van der Waals (vdW) structures, we propose an analytical model to address the evolution of interlayer vdW coupling with random stacking configurations in MoS2 bilayers based on the atomic-bond-relaxation correlation mechanism. We found that interlayer spacing changes substantially with respect to the orientations, and the bandgap increases from 1.53 eV (AB stacking) to 1.68 eV (AA stacking). Our results reveal that the evolution of interlayer vdW coupling originates from the interlayer interaction, leading to interlayer separations and electronic properties changing with stacking configurations. Our predictions constitute a demonstration of twist engineering the band shift in the emergent class of 2D crystals, transition-metal dichalcogenides.

  6. Lithium insertion in the two crystallographic forms of the binary-phase Mo15Se19

    Science.gov (United States)

    Tarascon, J. M.; Murphy, D. W.

    1986-02-01

    Compounds which can undergo topotactic insertion of lithium are of potential technological importance in secondary lithium batteries. In this paper we present the chemical and electrochemical insertion of lithium into the binary-phase Mo15Se19, which can exist in two crystallographic forms, denoted AA and BB, when prepared from In3Mo15Se19 and In2Mo15Se19, respectively. We show that both forms can reversibly accommodate up to eight lithium atoms, yielding two new series of compounds of formula LixMo15Se19. This behavior is consistent with the electronic structure of the host material predicted from band-structure calculations. The room-temperature phase diagram of both LixMo15Se19 systems as a function of x has been established using electrochemical test cells (based on Mo15Se19 as the cathode), and in situ x-ray measurements as the cells discharge. Both LixMo15Se19 systems contain three single-phase domains as a function of x: two hexagonal phases and an orthorhombic phase. The nature of the transitions between these single phases and the variation of the lattice parameters within a single-phase domain are reported. While the mechanism of intercalation of lithium is similar for both Mo15Se19 forms, there is a drastic difference in Li intercalation behavior for the parent indium phases In2Mo15Se19 and In3Mo15Se19. We found that In2Mo15Se19 can reversibly incorporate 6.4 lithium atoms while In3Mo15Se19 does not react. This behavior is explained on the basis of structural considerations.

  7. Lithium insertion in the two crystallographic forms of the binary-phase Mo15Se19

    International Nuclear Information System (INIS)

    Tarascon, J.M.; Murphy, D.W.

    1986-01-01

    Compounds which can undergo topotactic insertion of lithium are of potential technological importance in secondary lithium batteries. In this paper we present the chemical and electrochemical insertion of lithium into the binary-phase Mo 15 Se 19 , which can exist in two crystallographic forms, denoted AA and BB, when prepared from In 3 Mo 15 Se 19 and In 2 Mo 15 Se 19 , respectively. We show that both forms can reversibly accommodate up to eight lithium atoms, yielding two new series of compounds of formula Li/sub x/Mo 15 Se 19 . This behavior is consistent with the electronic structure of the host material predicted from band-structure calculations. The room-temperature phase diagram of both Li/sub x/Mo 15 Se 19 systems as a function of x has been established using electrochemical test cells (based on Mo 15 Se 19 as the cathode), and in situ x-ray measurements as the cells discharge. Both Li/sub x/Mo 15 Se 19 systems contain three single-phase domains as a function of x: two hexagonal phases and an orthorhombic phase. The nature of the transitions between these single phases and the variation of the lattice parameters within a single-phase domain are reported. While the mechanism of intercalation of lithium is similar for both Mo 15 Se 19 forms, there is a drastic difference in Li intercalation behavior for the parent indium phases In''Mo 15 Se 19 and In 3 Mo 15 Se 19 . We found that In 2 Mo 15 Se 19 can reversibly incorporate 6.4 lithium atoms while In 3 Mo 15 Se 19 does not react. This behavior is explained on the basis of structural considerations

  8. 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.

  9. Fission 99Mo production technology

    International Nuclear Information System (INIS)

    Miao Zengxing; Luo Zhifu; Ma Huimin; Liang Yufu; Yu Ningwen

    2003-01-01

    This paper describes a production technology of fission 99 Mo in the Department Isotope, CIAE. The irradiation target is tubular U-Al alloy containing highly enriched uranium. The target is irradiated in the swimming pool reactor core. The neutron flux is about 4x10 13 /cm 2 .sec. The production scale is 3.7-7.4 TBq (100-200Ci) of fission 99 Mo per batch. Total recovery of 99 Mo is more than 70%. The production practice proves that the process and equipment are safe and reliable. (author)

  10. Wide Band to ''Double Band'' upgrade

    International Nuclear Information System (INIS)

    Kasper, P.; Currier, R.; Garbincius, P.; Butler, J.

    1988-06-01

    The Wide Band beam currently uses electrons obtained from secondary photon conversions to produce the photon beam incident on the experimental targets. By transporting the positrons produced in these conversions as well as the electrons it is possible to almost double the number of photons delivered to the experiments per primary beam proton. 11 figs

  11. 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.

  12. Amniotic constriction bands

    Science.gov (United States)

    ... Supplements Videos & Tools Español You Are Here: Home → Medical Encyclopedia → Amniotic band sequence URL of this page: //medlineplus.gov/ency/ ... birth. The baby should be delivered in a medical center that has specialists experienced in caring for babies ... or partial loss of function of a body part. Congenital bands affecting large parts of the body cause the ...

  13. Effects of gold based dimers on structural and electronic properties of MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Kadioglu, Yelda [Department of Physics, Adnan Menderes University, 09100 Aydın (Turkey); Gökoğlu, Gökhan [Department of Physics, Karabük University, 78050 Karabük (Turkey); Aktürk, Olcay Üzengi, E-mail: ouzengi@adu.edu.tr [Department of Electrical & Electronics Engineering, Adnan Menderes University, 09100 Aydın (Turkey); Nanotechnology Application and Research Center, Adnan Menderes University, 09100 Aydın (Turkey)

    2017-02-28

    Highlights: • Semiconductor MoS{sub 2} shows metallic character by AuPt and AuPd adsorption. • MoS{sub 2} maintains its semiconductor characteristics with a decrease in the band gap values after AuAg, AuCu, and AuAl adsorption. • AuPt adsorbed system is the most stable structure energetically. • AuAl exhibits the weakest adsorption to MoS{sub 2} among the considered dimers. - Abstract: In view of first principles calculations, we investigate the electronic structure redecoration of monolayer MoS{sub 2} upon adsorptions of AuAg, AuPt, AuPd, AuCu, and AuAl bimetallic dimers. Geometrical structure, band structures, electronic density of states, charge density differences of dimer adsorbed MoS{sub 2} systems are presented and discussed. All the systems studied have non-magnetic ground states. Charge transfers occur from dimer to surface except for AuPt adsorption. Our results indicate that the semiconductor MoS{sub 2} maintains its semiconductor character with decreased band gaps upon AuAg, AuCu, and AuAl adsorptions. However, MoS{sub 2} shows metallic behaviour by AuPt and AuPd adsorptions, so Pt-d and Pd-d states cross Fermi level yielding metallic character. AuPt adsorbed system has the highest E{sub ads} value of 3.15 eV indicating the most stable structure energetically among the dimer adsorbed MoS{sub 2} systems considered.

  14. Preparation of MoB and MoB-MoSi2 composites by combustion synthesis in SHS mode

    International Nuclear Information System (INIS)

    Yeh, C.L.; Hsu, W.S.

    2007-01-01

    Combustion synthesis in the mode of self-propagating high-temperature synthesis (SHS) was carried out in the Mo-B and Mo-B-Si systems for the preparation of molybdenum boride MoB and the composite of MoB-MoSi 2 from elemental powder compacts. Under a preheating temperature above 150 deg. C , the reaction of Mo with boron in the sample compact of Mo:B = 1:1 is characterized by a planar combustion front propagating in a self-sustaining and steady manner. As the preheating temperature or sample compaction density increased, combustion temperature was found to increase and the propagation rate of the combustion front was correspondingly enhanced. Moreover, the XRD analysis provides evidence of yielding nearly single-phase α-MoB from the Mo-B sample at equiatomic stoichiometry. In the synthesis of MoB-MoSi 2 composites, the starting stoichiometry of the Mo-B-Si powder compact was varied so as to produce the final composites containing 20-80 mol% MoB. It was also found the increase of flame-front velocity and combustion temperature with increasing MoB content formed in the composite. The composition analysis by XRD shows excellent conversion from the Mo-B-Si powder compact to the MoB-MoSi 2 composite through the SHS reaction; that is, in addition to a small amount of Mo 5 Si 3 , the as-synthesized composite is composed entirely of MoB and MoSi 2

  15. Cyanide-limited complexation of molybdenum(III): synthesis of octahedral [Mo(CN)(6)](3-) and cyano-bridged [Mo(2)(CN)(11)](5-).

    Science.gov (United States)

    Beauvais, Laurance G; Long, Jeffrey R

    2002-03-13

    Octahedral coordination of molybdenum(III) is achieved by limiting the amount of cyanide available upon complex formation. Reaction of Mo(CF(3)SO(3))(3) with LiCN in DMF affords Li(3)[Mo(CN)(6)] x 6DMF (1), featuring the previously unknown octahedral complex [Mo(CN)(6)](3-). The complex exhibits a room-temperature moment of mu(eff) = 3.80 mu(B), and assignment of its absorption bands leads to the ligand field parameters Delta(o) = 24800 cm(-1) and B = 247 cm(-1). Further restricting the available cyanide in a reaction between Mo(CF(3)SO(3))(3) and (Et(4)N)CN in DMF, followed by recrystallization from DMF/MeOH, yields (Et(4)N)(5)[Mo(2)(CN)(11)] x 2DMF x 2MeOH (2). The dinuclear [Mo(2)(CN)(11)](5-) complex featured therein contains two octahedrally coordinated Mo(III) centers spanned by a bridging cyanide ligand. A fit to the magnetic susceptibility data for 2, gives J = -113 cm(-1) and g = 2.33, representing the strongest antiferromagnetic coupling yet observed through a cyanide bridge. Efforts to incorporate these new complexes in magnetic Prussian blue-type solids are ongoing.

  16. Synthesis and Photocatalytic Activity of Mo-Doped TiO2 Nanoparticles

    Directory of Open Access Journals (Sweden)

    Ji-guo Huang

    2015-01-01

    Full Text Available The undoped and Mo-doped TiO2 nanoparticles were synthesized by sol-gel method. The as-prepared samples were characterized by X-ray diffraction (XRD, diffuse reflectance UV-visible absorption spectra (UV-vis DRS, X-ray photoelectron spectra (XPS, and transmission electron microscopy (TEM. The photocatalytic activity was evaluated by photocatalytic degradation of methylene blue under irradiation of a 500 W xenon lamp and natural solar light outdoor. Effects of calcination temperatures and Mo doping amounts on crystal phase, crystallite size, lattice distortion, and optical properties were investigated. The results showed that most of Mo6+ took the place of Ti4+ in the crystal lattice of TiO2, which inhibited the growth of crystallite size, suppressed the transformation from anatase to rutile, and led to lattice distortion of TiO2. Mo doping narrowed the band gap (from 3.05 eV of TiO2 to 2.73 eV of TiMo0.02O and efficiently increased the optical absorption in visible region. Mo doping was shown to be an efficient method for degradation of methylene blue under visible light, especially under solar light. When the calcination temperature was 550°C and the Mo doping amount was 2.0%, the Mo-doped TiO2 sample exhibited the highest photocatalytic activity.

  17. 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.

  18. 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.

  19. 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.

  20. Band parameters of phosphorene

    International Nuclear Information System (INIS)

    Lew Yan Voon, L C; Wang, J; Zhang, Y; Willatzen, M

    2015-01-01

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene. (paper)

  1. Infrared diffuse interstellar bands

    Science.gov (United States)

    Galazutdinov, G. A.; Lee, Jae-Joon; Han, Inwoo; Lee, Byeong-Cheol; Valyavin, G.; Krełowski, J.

    2017-05-01

    We present high-resolution (R ˜ 45 000) profiles of 14 diffuse interstellar bands in the ˜1.45 to ˜2.45 μm range based on spectra obtained with the Immersion Grating INfrared Spectrograph at the McDonald Observatory. The revised list of diffuse bands with accurately estimated rest wavelengths includes six new features. The diffuse band at 15 268.2 Å demonstrates a very symmetric profile shape and thus can serve as a reference for finding the 'interstellar correction' to the rest wavelength frame in the H range, which suffers from a lack of known atomic/molecular lines.

  2. Band parameters of phosphorene

    DEFF Research Database (Denmark)

    Lew Yan Voon, L. C.; Wang, J.; Zhang, Y.

    2015-01-01

    Phosphorene is a two-dimensional nanomaterial with a direct band-gap at the Brillouin zone center. In this paper, we present a recently derived effective-mass theory of the band structure in the presence of strain and electric field, based upon group theory. Band parameters for this theory...... are computed using a first-principles theory based upon the generalized-gradient approximation to the density-functional theory. These parameters and Hamiltonian will be useful for modeling physical properties of phosphorene....

  3. 99Mo Yield Using Large Sample Mass of MoO3 for Sustainable Production of 99Mo

    Science.gov (United States)

    Tsukada, Kazuaki; Nagai, Yasuki; Hashimoto, Kazuyuki; Kawabata, Masako; Minato, Futoshi; Saeki, Hideya; Motoishi, Shoji; Itoh, Masatoshi

    2018-04-01

    A neutron source from the C(d,n) reaction has the unique capability of producing medical radioisotopes such as 99Mo with a minimum level of radioactive waste. Precise data on the neutron flux are crucial to determine the best conditions for obtaining the maximum yield of 99Mo. The measured yield of 99Mo produced by the 100Mo(n,2n)99Mo reaction from a large sample mass of MoO3 agrees well with the numerical result estimated with the latest neutron data, which are a factor of two larger than the other existing data. This result establishes an important finding for the domestic production of 99Mo: approximately 50% of the demand for 99Mo in Japan could be met using a 100 g 100MoO3 sample mass with a single accelerator of 40 MeV, 2 mA deuteron beams.

  4. 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.

  5. Influence of strain and metal thickness on metal-MoS₂ contacts.

    Science.gov (United States)

    Saidi, Wissam A

    2014-09-07

    MoS2 and other transition metal dichalcogenides are considered as potential materials in many applications including future electronics. A prerequisite for these applications is to understand the nature of the MoS2 contact with different metals. We use semi-local density functional theory in conjunction with dispersion corrections to study the heterostructures composed of Pd and Pt monolayers with (111) orientation grown pseudomorphically on MoS2(001). The interface properties are mapped as a function of the number of deposited overlayers, as well as a function of tensile and compressive strains. Although we show that the dependence of the contacts on strain can be fully explained using the d-band model, we find that their evolution with the number of deposited metal layers is markedly different between Pd and Pt, and at variance with the d-band model. Specifically, the Pt/MoS2 heterostructures show an anomalous large stability with the deposition of two metal monolayers for all investigated strains, while Pd/MoS2 exhibits a similar behavior only for compressive strains. It is shown that the results can be rationalized by accounting for second-nearest-neighbor effect that couples MoS2 with the subsurface metal layers. The underpinnings of this behavior are attributed to the larger polarizability and cohesive energy of Pt compared to Pd, that leads to a larger charge-response in the subsurface layers.

  6. Influence of strain and metal thickness on metal-MoS{sub 2} contacts

    Energy Technology Data Exchange (ETDEWEB)

    Saidi, Wissam A., E-mail: alsaidi@pitt.edu [Department of Mechanical Engineering and Materials Science, University of Pittsburgh, Pittsburgh, Pennsylvania 15261 (United States)

    2014-09-07

    MoS{sub 2} and other transition metal dichalcogenides are considered as potential materials in many applications including future electronics. A prerequisite for these applications is to understand the nature of the MoS{sub 2} contact with different metals. We use semi-local density functional theory in conjunction with dispersion corrections to study the heterostructures composed of Pd and Pt monolayers with (111) orientation grown pseudomorphically on MoS{sub 2}(001). The interface properties are mapped as a function of the number of deposited overlayers, as well as a function of tensile and compressive strains. Although we show that the dependence of the contacts on strain can be fully explained using the d-band model, we find that their evolution with the number of deposited metal layers is markedly different between Pd and Pt, and at variance with the d-band model. Specifically, the Pt/MoS{sub 2} heterostructures show an anomalous large stability with the deposition of two metal monolayers for all investigated strains, while Pd/MoS{sub 2} exhibits a similar behavior only for compressive strains. It is shown that the results can be rationalized by accounting for second-nearest-neighbor effect that couples MoS{sub 2} with the subsurface metal layers. The underpinnings of this behavior are attributed to the larger polarizability and cohesive energy of Pt compared to Pd, that leads to a larger charge-response in the subsurface layers.

  7. Photoluminescent BaMoO4 nanopowders prepared by complex polymerization method (CPM)

    International Nuclear Information System (INIS)

    Azevedo Marques, Ana Paula de; Melo, Dulce M.A. de; Paskocimas, Carlos A.; Pizani, Paulo S.; Joya, Miryam R.; Leite, Edson R.; Longo, Elson

    2006-01-01

    The BaMoO 4 nanopowders were prepared by the Complex Polymerization Method (CPM). The structure properties of the BaMoO 4 powders were characterized by FTIR transmittance spectra, X-ray diffraction (XRD), Raman spectra, photoluminescence spectra (PL) and high-resolution scanning electron microscopy (HR-SEM). The XRD, FTIR and Raman data showed that BaMoO 4 at 300 deg. C was disordered. At 400 deg. C and higher temperature, BaMoO 4 crystalline scheelite-type phases could be identified, without the presence of additional phases, according to the XRD, FTIR and Raman data. The calculated average crystallite sizes, calculated by XRD, around 40 nm, showed the tendency to increase with the temperature. The crystallite sizes, obtained by HR-SEM, were around of 40-50 nm. The sample that presented the highest intensity of the red emission band was the one heat treated at 400 deg. C for 2 h, and the sample that displayed the highest intensity of the green emission band was the one heat treated at 700 deg. C for 2 h. The CPM was shown to be a low cost route for the production of BaMoO 4 nanopowders, with the advantages of lower temperature, smaller time and reduced cost. The optical properties observed for BaMoO 4 nanopowders suggested that this material is a highly promising candidate for photoluminescent applications

  8. Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

    Science.gov (United States)

    Thurston, Cameron

    Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.

  9. CSF oligoclonal banding - slideshow

    Science.gov (United States)

    ... this page: //medlineplus.gov/ency/presentations/100145.htm CSF oligoclonal banding - series—Normal anatomy To use the ... 5 out of 5 Overview The cerebrospinal fluid (CSF) serves to supply nutrients to the central nervous ...

  10. Decay of superdeformed bands

    International Nuclear Information System (INIS)

    Carpenter, M.P.; Khoo, T.L.; Lauritsen, T.

    1995-01-01

    One of the major challenges in the study of superdeformation is to directly connect the large number of superdeformed bands now known to the yrast states. In this way, excitation energies, spins and parities can be assigned to the levels in the second well which is essential to establish the collective and single-particle components of these bands. This paper will review some of the progress which has been made to understand the decay of superdeformed bands using the new arrays including the measurement of the total decay spectrum and the establishment of direct one-step decays from the superdeformed band to the yrast line in 194 Hg. 42 refs., 5 figs

  11. Laparoscopic gastric banding

    Science.gov (United States)

    ... eat by making you feel full after eating small amounts of food. After surgery, your doctor can adjust the band ... You will feel full after eating just a small amount of food. The food in the small upper pouch will ...

  12. 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.

  13. Extended Fenske-Hall LCAO MO Calculations for Mixed Methylene Dihalides

    Science.gov (United States)

    Ziemann, Hartmut; Paulun, Manfred

    1988-10-01

    The electronic structure of mixed methylene dihalides CH2XY (X, Y = F, Cl, Br. I) has been studied using extended Fenske-Hall LCAO MO method. The comparison with available photoelec­tron spectra confirmes previous assignments of all bands with binding energies <100 eV. The electronic structure changes occurring upon varying the halogen substituents are discussed.

  14. Characterization and study of reduction and sulfurization processing in phase transition from molybdenum oxide (MoO{sub 2}) to molybdenum disulfide (MoS{sub 2}) chalcogenide semiconductor nanoparticles prepared by one-stage chemical reduction method

    Energy Technology Data Exchange (ETDEWEB)

    Shomalian, K.; Bagheri-Mohagheghi, M.M.; Ardyanian, M. [Damghan University, School of Physics, Damghan (Iran, Islamic Republic of)

    2017-01-15

    In this research, molybdenum disulfide (MoS{sub 2}) nanoparticles were prepared by chemical reduction method using MoO{sub 3} and thiourea as a precursor. The physical properties of the synthesized MoO{sub 2}-MoS{sub 2} nanoparticles annealed at different temperatures of 200, 300, 750 C have been investigated, before and after exposure to sulfur vapor. The nanostructure of nanoparticles has been characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM), field emission scanning electron microscopy (FE-SEM) analyses and UV-Vis spectrophotometer. The X-ray diffraction analysis showed the formation of MoS{sub 2} single phase at annealing temperature of 750 C in the presence of sulfur vapor. The Raman spectrum of the nanoparticles revealed that the formation of MoS{sub 2} at 750 C after annealing in sulfur vapor. The values of band gap were obtained in the range of 3.64-3.17 eV and 3.47-1.95 eV for MoS{sub 2} nanoparticles before and after exposure to sulfur vapor, respectively. According to SEM images, the grain size decreases with increasing annealing temperature up to 750 C. Also, nanoplate-nanoparticles of MoS{sub 2} are formed at annealing temperature of 200-750 C. The TEM images of MoS{sub 2} nanoparticles at T{sub a} = 750 C confirm that the nanoparticles have a homogeneous distribution with a hexagonal structure. The FTIR spectra of the MoS{sub 2} nanoparticles showed the peaks at about 467 cm {sup -1} belong to the characteristic bands of Mo-S. (orig.)

  15. Dipole strength distribution below the giant dipole resonance in {sup 92}Mo, {sup 98}Mo and {sup 100}Mo

    Energy Technology Data Exchange (ETDEWEB)

    Rusev, G.Y.

    2006-07-01

    Investigations of the dipole-strength distributions in {sup 92}Mo, {sup 98}Mo and {sup 100}Mo were carried out by means of the method of nuclear resonance fluorescence. The low-lying excitations in the nuclides {sup 92}Mo, {sup 98}Mo and {sup 100}Mo have been studied in photon-scattering experiments at an electron energy of 6 MeV at the ELBE accelerator and at electron energies from 3.2 to 3.8 MeV at the Dynamitron accelerator. Five levels were observed in {sup 92}Mo. Five levels in {sup 98}Mo and 14 in {sup 100}Mo were identified for the first time in the energy range from 2 to 4 MeV. Dipole-strength distributions up to the neutron-separation energies in the nuclides {sup 92}Mo, {sup 98}Mo and {sup 100}Mo have been investigated at the ELBE accelerator. Because of the possible observation of transitions in the neighboring nuclei produced via ({gamma},n) reaction, additional measurements at electron energies of 8.4 and 7.8 MeV, below the neutron-separation energy, were performed on {sup 98}Mo and {sup 100}Mo, respectively. The number of transitions assigned to {sup 92}Mo, {sup 98}Mo and {sup 100}Mo is 340, 485 and 499, respectively, the main part of them being dipole transitions. Statistical properties of the observed transitions are obtained. The continuum contains the ground-state transitions as well as the branching transitions to the low-lying levels and the subsequent deexcitations of these levels. (orig.)

  16. High-Performance Photovoltaic Detector Based on MoTe2 /MoS2 Van der Waals Heterostructure.

    Science.gov (United States)

    Chen, Yan; Wang, Xudong; Wu, Guangjian; Wang, Zhen; Fang, Hehai; Lin, Tie; Sun, Shuo; Shen, Hong; Hu, Weida; Wang, Jianlu; Sun, Jinglan; Meng, Xiangjian; Chu, Junhao

    2018-03-01

    Van der Waals heterostructures based on 2D layered materials have received wide attention for their multiple applications in optoelectronic devices, such as solar cells, light-emitting devices, and photodiodes. In this work, high-performance photovoltaic photodetectors based on MoTe 2 /MoS 2 vertical heterojunctions are demonstrated by exfoliating-restacking approach. The fundamental electric properties and band structures of the junction are revealed and analyzed. It is shown that this kind of photodetectors can operate under zero bias with high on/off ratio (>10 5 ) and ultralow dark current (≈3 pA). Moreover, a fast response time of 60 µs and high photoresponsivity of 46 mA W -1 are also attained at room temperature. The junctions based on 2D materials are expected to constitute the ultimate functional elements of nanoscale electronic and optoelectronic applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. Detailed characterization of complex banding in air-cooled bainitic steels

    Directory of Open Access Journals (Sweden)

    Morales-Rivas L.

    2015-01-01

    Full Text Available The presence of banding in a hot-rolled air-cooled bainitic steel has been thoroughly characterized. The banded microstructure was observed due to distinctive sensitivities to the etching agent. Microstructural and crystallographic studies by means of Scanning Electron Microscopy and Electron Backscatter Diffraction did not reveal any substantial differences between bands and matrix. However, solute segregation of some alloying elements was detected by Wavelength- Dispersive Spectroscopy, being found that bands are enriched in Cr, Mo and Si and depleted in Mn. Finally, a set of theoretical calculations suggested that the solidification mode is responsible for such unusual partitioning behavior, which is beneficial in terms of the bainitic transformation.

  2. Electronic structures of B1 MoN, fcc Mo2N, and hexagonal MoN

    International Nuclear Information System (INIS)

    Ihara, H.; Kimura, Y.; Senzaki, K.; Kezuka, H.; Hirabayashi, M.

    1985-01-01

    The electronic structures of B1 MoN, fcc Mo 2 N, and hexagonal MoN were observed by photoelectron spectroscopic measurement. The B1-MoN phase has been predicted to be a high-T/sub c/ superconductor because of a large density of states at Fermi level. The observed electronic structure of the stoichiometric B1-MoN phase is different from that of the real B1-MoN type. The nitrogen excess B1-MoN/sub x/ (x> or =1.3) phase, however, shows the B1-type electronic structure. This is explained by the occurrence of a nitrogen vacancy in the apparent stoichiometric B1 phase and the occupation of the nitrogen vacancy in the nitrogen-excess B1 phase. This property is related to the previously reported low T/sub c/ of the B1-MoN crystals

  3. Phase equilibria in the Mo-Fe-P system at 800 °C and structure of ternary phosphide (Mo(1-x)Fe(x))3P (0.10 ≤ x ≤ 0.15).

    Science.gov (United States)

    Oliynyk, Anton O; Lomnytska, Yaroslava F; Dzevenko, Mariya V; Stoyko, Stanislav S; Mar, Arthur

    2013-01-18

    Construction of the isothermal section in the metal-rich portion (ternary phases: (Mo(1-x)Fe(x))(2)P (x = 0.30-0.82) and (Mo(1-x)Fe(x))(3)P (x = 0.10-0.15). The occurrence of a Co(2)Si-type ternary phase (Mo(1-x)Fe(x))(2)P, which straddles the equiatomic composition MoFeP, is common to other ternary transition-metal phosphide systems. However, the ternary phase (Mo(1-x)Fe(x))(3)P is unusual because it is distinct from the binary phase Mo(3)P, notwithstanding their similar compositions and structures. The relationship has been clarified through single-crystal X-ray diffraction studies on Mo(3)P (α-V(3)S-type, space group I42m, a = 9.7925(11) Å, c = 4.8246(6) Å) and (Mo(0.85)Fe(0.15))(3)P (Ni(3)P-type, space group I4, a = 9.6982(8) Å, c = 4.7590(4) Å) at -100 °C. Representation in terms of nets containing fused triangles provides a pathway to transform these closely related structures through twisting. Band structure calculations support the adoption of these structure types and the site preference of Fe atoms. Electrical resistivity measurements on (Mo(0.85)Fe(0.15))(3)P reveal metallic behavior but no superconducting transition.

  4. 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.

  5. Microstructure and properties of MoSi2-MoB and MoSi2-Mo5Si3 molybdenum silicides

    International Nuclear Information System (INIS)

    Schneibel, J.H.; Sekhar, J.A.

    2003-01-01

    MoSi 2 -based intermetallics containing different volume fractions of MoB or Mo 5 Si 3 were fabricated by hot-pressing MoSi 2 , MoB, and Mo 5 Si 3 powders in vacuum. Both classes of alloys contained approximately 5 vol.% of dispersed silica phase. Additions of MoB or Mo 5 Si 3 caused the average grain size to decrease. The decrease in the grain size was typically accompanied by an increase in flexure strength, a decrease in the room temperature fracture toughness, and a decrease in the hot strength (compressive creep strength) measured around 1200 deg. C, except when the Mo 5 Si 3 effectively became the major phase. Oxidation measurements on the two classes of alloys were carried out in air. Both classes of alloys were protected from oxidation by an in-situ adherent scale that formed on exposure to high temperature. The scale, although not analyzed in detail, is commonly recognized in MoSi 2 containing materials as consisting mostly of SiO 2 . The MoB containing materials showed an increase in the scale thickness and the cyclic oxidation rate at 1400 deg. C when compared with pure MoSi 2 . However, in contrast with the pure MoSi 2 material, oxidation at 1400 deg. C began with a weight loss followed by a weight gain and the formation of the protective silica layer. The Mo 5 Si 3 containing materials experienced substantial initial weight losses followed by regions of small weight changes. Overall, the MoB and Mo 5 Si 3 additions to MoSi 2 tended to be detrimental for the mechanical and oxidative properties

  6. 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

  7. Tuning the Schottky Barrier at the Graphene/MoS2 Interface by Electron Doping

    DEFF Research Database (Denmark)

    Jin, Chengjun; Rasmussen, Filip Anselm; Thygesen, Kristian Sommer

    2015-01-01

    ) with a generalized gradient approximation predicts a Schottky barrier height of 0.18 eV, whereas the G0W0 method increases this value to 0.60 eV. While the DFT band gap of MoS2 does not change when the heterostructure is formed, the G0W0 gap is reduced by 0.30 eV as a result of the enhanced screening by the graphene...... layer. In contrast to the case of metal substrates, where the band alignment is governed by Pauli repulsion-induced interface dipoles, the graphene/MoS2 heterostructure shows only a negligible interface dipole. As a consequence, the band alignment at the neutral heterostructure is not changed when...... the two layers are brought into contact. We systematically follow the band alignment as a function of doping concentration and find that the Fermi level of the graphene crosses the MoS2 conduction band at a doping concentration of around 1012 cm–2. The variation of the energy levels with doping...

  8. Measurement of target and double-spin asymmetries for the e<mo>→>p<mo>→mo><mo>→mo>eπ<mo>+mo><mo>(n)> reaction in the nucleon resonance region at low Q2

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, X.; Adhikari, K. P.; Bosted, P.; Deur, A.; Drozdov, V.; El Fassi, L.; Kang, Hyekoo; Kovacs, K.; Kuhn, S.; Long, E.; Phillips, S. K.; Ripani, M.; Slifer, K.; Smith, L. C.; Adikaram, D.; Akbar, Z.; Amaryan, M. J.; Anefalos Pereira, S.; Asryan, G.; Avakian, H.; Badui, R. A.; Ball, J.; Baltzell, N. A.; Battaglieri, M.; Batourine, V.; Bedlinskiy, I.; Biselli, A. S.; Briscoe, W. J.; Bültmann, S.; Burkert, V. D.; Carman, D. S.; Celentano, A.; Chandavar, S.; Charles, G.; Chen, J. -P.; Chetry, T.; Choi, Seonho; Ciullo, G.; Clark, L.; Colaneri, L.; Cole, P. L.; Compton, N.; Contalbrigo, M.; Crede, V.; D' Angelo, A.; Dashyan, N.; De Vita, R.; De Sanctis, E.; Djalali, C.; Dodge, G. E.; Dupre, R.; Egiyan, H.; El Alaoui, A.; Elouadrhiri, L.; Eugenio, P.; Fanchini, E.; Fedotov, G.; Fersch, R.; Filippi, A.; Fleming, J. A.; Gevorgyan, N.; Ghandilyan, Y.; Gilfoyle, G. P.; Giovanetti, K. L.; Girod, F. X.; Gleason, C.; Golovach, E.; Gothe, R. W.; Griffioen, K. A.; Guidal, M.; Guler, N.; Guo, L.; Hanretty, C.; Harrison, N.; Hattawy, M.; Hicks, K.; Holtrop, M.; Hughes, S. M.; Ilieva, Y.; Ireland, D. G.; Ishkhanov, B. S.; Isupov, E. L.; Jenkins, D.; Jiang, H.; Jo, H. S.; Joosten, S.; Keller, D.; Khachatryan, G.; Khandaker, M.; Kim, A.; Kim, W.; Klein, F. J.; Kubarovsky, V.; Lanza, L.; Lenisa, P.; Livingston, K.; MacGregor, I. J. D.; Markov, N.; McKinnon, B.; Mirazita, M.; Mokeev, V.; Movsisyan, A.; Munevar, E.; Munoz Camacho, C.; Murdoch, G.; Nadel-Turonski, P.; Net, L. A.; Ni, A.; Niccolai, S.; Niculescu, G.; Niculescu, I.; Osipenko, M.; Ostrovidov, A. I.; Paolone, M.; Paremuzyan, R.; Park, K.; Pasyuk, E.; Peng, P.; Pisano, S.; Pogorelko, O.; Price, J. W.; Puckett, A. J. R.; Raue, B. A.; Rizzo, A.; Rosner, G.; Rossi, P.; Roy, P.; Sabatié, F.; Salgado, C.; Schumacher, R. A.; Sharabian, Y. G.; Skorodumina, Iu.; Smith, G. D.; Sokhan, D.; Sparveris, N.; Stankovic, I.; Strakovsky, I. I.; Strauch, S.; Taiuti, M.; Tian, Ye; Ungaro, M.; Voskanyan, H.; Voutier, E.; Walford, N. K.; Watts, D. P.; Wei, X.; Weinstein, L. B.; Wood, M. H.; Zachariou, N.; Zhang, J.; Zonta, I.

    2016-10-01

    We report measurements of target- and double-spin asymmetries for the exclusive channel e<mo>→>p<mo>→mo><mo>→mo>eπ<mo>+mo><mo>(n)> in the nucleon resonance region at Jefferson Lab using the CEBAF Large Acceptance Spectrometer (CLAS). These asymmetries were extracted from data obtained using a longitudinally polarized NH3 target and a longitudinally polarized electron beam with energies 1.1, 1.3, 2.0, 2.3, and 3.0 GeV. The new results are consistent with previous CLAS publications but are extended to a low Q2 range from 0.0065 to 0.35 (GeV/c)2. The Q2 access was made possible by a custom-built Cherenkov detector that allowed the detection of electrons for scattering angles as low as 6 degrees. These results are compared with the unitary isobar models JANR and MAID, the partial-wave analysis prediction from SAID, and the dynamic model DMT. In many kinematic regions our results, in particular results on the target asymmetry, help to constrain the polarization-dependent components of these models.

  9. Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS{sub 2}: A first principles calculation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Z.Y. [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China); Si, M.S., E-mail: sims@lzu.edu.cn [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China); Peng, S.L. [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China); Zhang, F. [Key Lab of Photovoltaic Materials of Henan Province, Henan University, Kaifeng 475001 (China); Wang, Y.H.; Xue, D.S. [Key Laboratory for Magnetism and Magnetic Materials of the Ministry of Education, Lanzhou University, Lanzhou 730000 (China)

    2015-11-15

    Blue phosphorene (BP) was theoretically predicted to be thermally stable recently. Considering its similar in-layer hexagonal lattice to MoS{sub 2}, MoS{sub 2} could be an appropriate substrate to grow BP in experiments. In this work, the van der Waals (vdW) heterostructures are constructed by stacking BP on top of MoS{sub 2}. The thermal stability and electronic structures are evaluated based on first principles calculations with vdW-corrected exchange-correlation functional. The formation of the heterostructures is demonstrated to be exothermic and the most stable stacking configuration is confirmed. The heterostructures BP/MoS{sub 2} preserve both the properties of BP and MoS{sub 2} but exhibit relatively narrower bandgaps due to the interlayer coupling effect. The band structures can be further engineered by applying external electric fields. An indirect–direct bandgap transition in bilayer BP/MoS{sub 2} is demonstrated to be controlled by the symmetry property of the built-in electric dipole fields. - Graphical abstract: An indirect-direct band gap transition occurs in van der Waals heterostructure of MoS{sub 2}/BP under external electric fields which is demonstrated to be controlled by the symmetry of the built-in electric dipole fields. - Highlights: • The stacking of heterostructures of BP/MoS{sub 2} is demonstrated to be exothermic. • This suggests that it is possible to grow BP using MoS{sub 2} as the substrate. • The band structures of the heterostructures are exploited. • It realizes an indirect–direct gap transition under external electric fields. • The symmetry of the built-in electric dipole fields controls such gap transition.

  10. Ultra wide band antennas

    CERN Document Server

    Begaud, Xavier

    2013-01-01

    Ultra Wide Band Technology (UWB) has reached a level of maturity that allows us to offer wireless links with either high or low data rates. These wireless links are frequently associated with a location capability for which ultimate accuracy varies with the inverse of the frequency bandwidth. Using time or frequency domain waveforms, they are currently the subject of international standards facilitating their commercial implementation. Drawing up a complete state of the art, Ultra Wide Band Antennas is aimed at students, engineers and researchers and presents a summary of internationally recog

  11. 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.

  12. 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.

  13. Raman spectroscopic study of structure and crystallisation behaviour of MoO3-La2O3-B2O3 and MoO3-ZnO-B2O3 glasses

    Science.gov (United States)

    Aleksandrov, L.; Komatsu, T.; Nagamine, K.; Oishi, K.

    2011-03-01

    In this study, we focus on the structure and crystallization behavior of MoO3-La2O3-B2O3 and MoO3-ZnO-B2O3 glasses. Glasses of both systems were prepared by a melt-quenching method. The thermal stability of the glasses was examined using differential thermal anaysis (DTA) measurements, and the crystalline phases formed by heat treatments were identified by X-ray diffraction (XRD) analysis. Raman scattering spectra at room temperature for the glasses and crystallized samples were measured with a laser microscope operated with an Ar+ (wavelength: 488 nm) laser. DTA measurements indicated that the thermal stability against crystallization of the glasses decreases drastically with increasing MoO3 content. XRD analysis confirmed that crystallization at 600°C for 3 h of glass with the nominal composition of 50MoO3-25La2O3-25B2O3 resulted in the formation of monoclinic LaMoBO6. Crystallization of 50ZnO-xMoO3-(50-x)B2O3 glasses formed triclinic α-ZnMoO4 as an initial crystalline phase. Moreover, for 30 mol% MoO3 glass, transmission electron microscopy observations showed the formation of α-ZnMoO4 nanocrystals with a diameter of ~ 5 nm. Raman bands at 860, 930 and 950 cm-1 suggested that the coordination state of Mo6+ ions in the glasses were mainly (MoO4)2- tetrahedral units. Therefore, MoO3-containing glasses have good potential for optical applications.

  14. Measurement and Estimation of the 99Mo Production Yield by 100Mo(n,2n)99Mo

    Science.gov (United States)

    Minato, Futoshi; Tsukada, Kazuaki; Sato, Nozomi; Watanabe, Satoshi; Saeki, Hideya; Kawabata, Masako; Hashimoto, Shintaro; Nagai, Yasuki

    2017-11-01

    We, for the first time, measured the yield of 99Mo, the mother nuclide of 99mTc used in nuclear medicine diagnostic procedures, produced by the 100Mo(n,2n)99Mo reaction with accelerator neutrons. The neutrons with a continuous energy spectrum from the thermal energy up to about 40 MeV were provided by the C(d,n) reaction with 40 MeV deuteron beams. It was proved that the 99Mo yield agrees with that estimated by using the latest data on neutrons from the C(d,n) reaction and the evaluated cross section of the 100Mo(n,2n)99Mo reaction given in the Japanese Evaluated Nuclear Data Library. On the basis of the agreement, a systematic calculation was carried out to search for an optimum condition that enables us to produce as much 99Mo as possible with a good 99Mo/100Mo value from an economical point of view. The calculated 99Mo yield from a 150 g 100MoO3 sample indicated that about 30% of the demand for 99Mo in Japan can be met with a single accelerator capable of 40 MeV, 2 mA deuteron beams. Here, by referring to an existing 18F-fluorodeoxyglucose (FDG) distribution system we assumed that 99mTc radiopharmaceuticals formed after separating 99mTc from 99Mo can be delivered to hospitals from a radiopharmaceutical company within 6 h. The elution of 99mTc from 99Mo twice a day would meet about 50% of the demand for 99Mo.

  15. Effect of biaxial strain and external electric field on electronic properties of MoS{sub 2} monolayer: A first-principle study

    Energy Technology Data Exchange (ETDEWEB)

    Nguyen, Chuong V., E-mail: chuongnguyen11@gmail.com [Institute of Research and Development, Duy Tan University, Da Nang (Viet Nam); School of Mechanical Engineering, Le Quy Don Technical University, Ha Noi (Viet Nam); Hieu, Nguyen N. [Institute of Research and Development, Duy Tan University, Da Nang (Viet Nam)

    2016-04-01

    In this work, making use of density functional theory (DFT) computations, we systematically investigate the effect of biaxial strain engineering and external electric field applied perpendicular to the layers on the band gaps and electronic properties of monolayer MoS{sub 2}. The direct-to-indirect band gaps and semiconductor-to-metal transition are observed in monolayer MoS{sub 2} when strain and electric field are applied in our calculation. We show that when the biaxial strain and external electric field are introduced, the electronic properties including band gaps of monolayer MoS{sub 2} can be reduced to zero. Our results provide many useful insights for the wide applications of monolayer MoS{sub 2} in electronics and optoelectronics.

  16. Thermal expansion, anharmonicity and temperature-dependent Raman spectra of single- and few-layer MoSe₂ and WSe₂.

    Science.gov (United States)

    Late, Dattatray J; Shirodkar, Sharmila N; Waghmare, Umesh V; Dravid, Vinayak P; Rao, C N R

    2014-06-06

    We report the temperature-dependent Raman spectra of single- and few-layer MoSe2 and WSe2 in the range 77-700 K. We observed linear variation in the peak positions and widths of the bands arising from contributions of anharmonicity and thermal expansion. After characterization using atomic force microscopy and high-resolution transmission electron microscopy, the temperature coefficients of the Raman modes were determined. Interestingly, the temperature coefficient of the A(2)(2u) mode is larger than that of the A(1g) mode, the latter being much smaller than the corresponding temperature coefficients of the same mode in single-layer MoS2 and of the G band of graphene. The temperature coefficients of the two modes in single-layer MoSe2 are larger than those of the same modes in single-layer WSe2. We have estimated thermal expansion coefficients and temperature dependence of the vibrational frequencies of MoS2 and MoSe2 within a quasi-harmonic approximation, with inputs from first-principles calculations based on density functional theory. We show that the contrasting temperature dependence of the Raman-active mode A(1g) in MoS2 and MoSe2 arises essentially from the difference in their strain-phonon coupling. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Sonochemical synthesis of solar-light-driven Ago-PbMoO4 photocatalyst

    International Nuclear Information System (INIS)

    Gyawali, Gobinda; Adhikari, Rajesh; Joshi, Bhupendra; Kim, Tae Ho; Rodríguez-González, Vicente; Lee, Soo Wohn

    2013-01-01

    Highlights: • Solar light responsive Ag o -PbMoO 4 photocatalyst synthesized by sonochemical method. • UV–vis DRS reveals the strong absorption band due to SPR effect of Ag nanoparticles. • Ag o -PbMoO 4 possess higher photocatalytic activity over PbMoO 4 . • Enhanced photo-activity is explained on the basis of SPR effect of Ag nanoparticle. -- Abstract: Ag o -PbMoO 4 photocatalysts were synthesized by facile sonochemical method with different mol.% of Ag nanoparticles dispersed on the surface of PbMoO 4 . The synthesized powders were characterized by X-ray Diffraction (XRD) Spectroscopy, X-Ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy (TEM), and Diffuse Reflectance Spectroscopy (UV–vis DRS) to investigate the crystal structure, morphology, chemical composition, and optical properties of the photocatalyst. Photocatalytic activities of the Ag o -PbMoO 4 samples were evaluated by the degradation of Indigo Carmine (IC) dye under simulated solar light irradiation. It has been observed that the sample containing 0.3 mol.% of Ag showed the best photocatalytic activity as compared to other samples. The results suggest that the dispersion of Ag nanoparticles on the surface of PbMoO 4 significantly enhances the photocatalytic activity of PbMoO 4 . Increase in photocatalytic activity of Ag o -PbMoO 4 photocatalyst has been explained on the basis of surface plasmon resonance (SPR) effect caused by the silver nanoparticles present in the photocatalyst

  18. Plasma nanocoating of thiophene onto MoS{sub 2} nanotubes

    Energy Technology Data Exchange (ETDEWEB)

    Türkaslan, Banu Esencan [Suleyman Demirel University, Faculty of Engineering, Department of Chemical Engineering, 32260 Isparta (Turkey); Dikmen, Sibel [Suleyman Demirel University, Faculty of Arts and Science, Department of Chemistry, 32260 Isparta (Turkey); Öksüz, Lütfi [Suleyman Demirel University, Faculty of Arts and Science, Department of Physics, 32260 Isparta (Turkey); Öksüz, Aysegul Uygun, E-mail: ayseguluygun@sdu.edu.tr [Suleyman Demirel University, Faculty of Arts and Science, Department of Chemistry, 32260 Isparta (Turkey)

    2015-12-01

    Highlights: • MoS{sub 2} nanotubes were coated with thiophene by atmospheric pressure radio-frequency (RF) glow discharge. • Among nanohybrid preparation methods, the plasma methods appear as new technology. • The effect of plasma power on PTh/MoS{sub 2} nanocomposite properties has been investigated. • When the discharge power is increased between 117 and 360 W the chemical structure of PTh is not changed and the structure of nanocomposites become more uniformly. - Abstract: MoS{sub 2} nanotubes were coated with conductive polymer thiophene by atmospheric pressure radio-frequency (RF) glow discharge. MoS{sub 2} nanotubes were prepared by thermal decomposition of hexadecylamine (HDA) intercalated laminar MoS{sub 2} precursor on anodized aluminum oxide template and the thiophene was polymerized directly on surface of these nanotubes as in situ by plasma method. The effect of plasma power on PTh/MoS{sub 2} nanocomposite properties has been investigated by means of Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM and EDX), and X-ray diffraction spectroscopy (XRD). The presence of PTh bands in the FTIR spectra of PTh/MoS{sub 2} nanotube nanocomposites corresponding XRD results indicates that the polythiophene coating onto MoS{sub 2} nanotube. The chemical structure of PTh is not changed when the plasma power of discharge differ from 117 to 360 W. SEM images of nanocomposites show that when the discharge power is increased between 117 and 360 W the average diameter of PTh/MoS{sub 2} nanotube nanocomposites are changed and the structure become more uniformly.

  19. Band-notched spiral antenna

    Science.gov (United States)

    Jeon, Jae; Chang, John

    2018-03-13

    A band-notched spiral antenna having one or more spiral arms extending from a radially inner end to a radially outer end for transmitting or receiving electromagnetic radiation over a frequency range, and one or more resonance structures positioned adjacent one or more segments of the spiral arm associated with a notch frequency band or bands of the frequency range so as to resonate and suppress the transmission or reception of electromagnetic radiation over said notch frequency band or bands.

  20. Layer-by-layer thinning of MoSe{sub 2} by soft and reactive plasma etching

    Energy Technology Data Exchange (ETDEWEB)

    Sha, Yunfei [Engineering Research Center of IoT Technology Applications (Ministry of Education), Department of Electronic Engineering, Jiangnan University, Wuxi 214122 (China); Xiao, Shaoqing, E-mail: larring0078@hotmail.com [Engineering Research Center of IoT Technology Applications (Ministry of Education), Department of Electronic Engineering, Jiangnan University, Wuxi 214122 (China); Zhang, Xiumei [Engineering Research Center of IoT Technology Applications (Ministry of Education), Department of Electronic Engineering, Jiangnan University, Wuxi 214122 (China); Qin, Fang [Analysis & Testing Center, Jiangnan University, Wuxi 214122 (China); Gu, Xiaofeng, E-mail: xfgu@jiangnan.edu.cn [Engineering Research Center of IoT Technology Applications (Ministry of Education), Department of Electronic Engineering, Jiangnan University, Wuxi 214122 (China)

    2017-07-31

    Highlights: • Soft plasma etching technique using SF{sub 6} + N{sub 2} as precursors for layer-by-layer thinning of MoSe{sub 2} was adopted in this work. • Optical microscopy, Raman, photoluminescence and atomic force microscopy measurements were used to confirm the thickness change. • Layer-dependent vibrational and photoluminescence spectra of the etched MoSe{sub 2} were also demonstrated. • Equal numbers of MoSe{sub 2} layers can be removed uniformly without affecting the underlying SiO{sub 2} substrate and the remaining MoSe{sub 2} layers. - Abstract: Two-dimensional (2D) transition metal dichalcogenides (TMDs) like molybdenum diselenide (MoSe{sub 2}) have recently gained considerable interest since their properties are complementary to those of graphene. Unlike gapless graphene, the band structure of MoSe{sub 2} can be changed from the indirect band gap to the direct band gap when MoSe{sub 2} changed from bulk material to monolayer. This transition from multilayer to monolayer requires atomic-layer-precision thining of thick MoSe{sub 2} layers without damaging the remaining layers. Here, we present atomic-layer-precision thinning of MoSe{sub 2} nanaosheets down to monolayer by using SF{sub 6} + N{sub 2} plasmas, which has been demonstrated to be soft, selective and high-throughput. Optical microscopy, atomic force microscopy, Raman and photoluminescence spectra suggest that equal numbers of MoSe{sub 2} layers can be removed uniformly regardless of their initial thickness, without affecting the underlying SiO{sub 2} substrate and the remaining MoSe{sub 2} layers. By adjusting the etching rates we can achieve complete MoSe{sub 2} removal and any disired number of MoSe{sub 2} layers including monolayer. This soft plasma etching method is highly reliable and compatible with the semiconductor manufacturing processes, thereby holding great promise for various 2D materials and TMD-based devices.

  1. Engineering MoSx/Ti/InP Hybrid Photocathode for Improved Solar Hydrogen Production.

    Science.gov (United States)

    Li, Qiang; Zheng, Maojun; Zhong, Miao; Ma, Liguo; Wang, Faze; Ma, Li; Shen, Wenzhong

    2016-07-19

    Due to its direct band gap of ~1.35 eV, appropriate energy band-edge positions, and low surface-recombination velocity, p-type InP has attracted considerable attention as a promising photocathode material for solar hydrogen generation. However, challenges remain with p-type InP for achieving high and stable photoelectrochemical (PEC) performances. Here, we demonstrate that surface modifications of InP photocathodes with Ti thin layers and amorphous MoSx nanoparticles can remarkably improve their PEC performances. A high photocurrent density with an improved PEC onset potential is obtained. Electrochemical impedance analyses reveal that the largely improved PEC performance of MoSx/Ti/InP is attributed to the reduced charge-transfer resistance and the increased band bending at the MoSx/Ti/InP/electrolyte interface. In addition, the MoSx/Ti/InP photocathodes function stably for PEC water reduction under continuous light illumination over 2 h. Our study demonstrates an effective approach to develop high-PEC-performance InP photocathodes towards stable solar hydrogen production.

  2. 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

  3. 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.

  4. 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.

  5. The hierarchically organized splitting of chromosome bands into sub-bands analyzed by multicolor banding (MCB).

    Science.gov (United States)

    Lehrer, H; Weise, A; Michel, S; Starke, H; Mrasek, K; Heller, A; Kuechler, A; Claussen, U; Liehr, T

    2004-01-01

    To clarify the nature of chromosome sub-bands in more detail, the multicolor banding (MCB) probe-set for chromosome 5 was hybridized to normal metaphase spreads of GTG band levels at approximately 850, approximately 550, approximately 400 and approximately 300. It could be observed that as the chromosomes became shorter, more of the initial 39 MCB pseudo-colors disappeared, ending with 18 MCB pseudo-colored bands at the approximately 300-band level. The hierarchically organized splitting of bands into sub-bands was analyzed by comparing the disappearance or appearance of pseudo-color bands of the four different band levels. The regions to split first are telomere-near, centromere-near and in 5q23-->q31, followed by 5p15, 5p14, and all GTG dark bands in 5q apart from 5q12 and 5q32 and finalized by sub-band building in 5p15.2, 5q21.2-->q21.3, 5q23.1 and 5q34. The direction of band splitting towards the centromere or the telomere could be assigned to each band separately. Pseudo-colors assigned to GTG-light bands were resistant to band splitting. These observations are in concordance with the recently proposed concept of chromosome region-specific protein swelling. Copyright 2003 S. Karger AG, Basel

  6. High-pressure behavior of CaMo O4

    Science.gov (United States)

    Panchal, V.; Garg, N.; Poswal, H. K.; Errandonea, D.; Rodríguez-Hernández, P.; Muñoz, A.; Cavalli, E.

    2017-09-01

    We report a high-pressure study of tetragonal scheelite-type CaMo O4 up to 29 GPa. In order to characterize its high-pressure behavior, we have combined Raman and optical-absorption measurements with density functional theory calculations. We have found evidence of a pressure-induced phase transition near 15 GPa. Experiments and calculations agree in assigning the high-pressure phase to a monoclinic fergusonite-type structure. The reported results are consistent with previous powder x-ray-diffraction experiments, but are in contradiction with the conclusions obtained from earlier Raman measurements, which support the existence of more than one phase transition in the pressure range covered by our studies. The observed scheelite-fergusonite transition induces significant changes in the electronic band gap and phonon spectrum of CaMo O4 . We have determined the pressure evolution of the band gap for the low- and high-pressure phases as well as the frequencies and pressure dependencies of the Raman-active and infrared-active modes. In addition, based on calculations of the phonon dispersion of the scheelite phase, carried out at a pressure higher than the transition pressure, we propose a possible mechanism for the reported phase transition. Furthermore, from the calculations we determined the pressure dependence of the unit-cell parameters and atomic positions of the different phases and their room-temperature equations of state. These results are compared with previous experiments showing a very good agreement. Finally, information on bond compressibility is reported and correlated with the macroscopic compressibility of CaMo O4 . The reported results are of interest for the many technological applications of this oxide.

  7. Schottky Barrier Height of Pd/MoS2 Contact by Large Area Photoemission Spectroscopy.

    Science.gov (United States)

    Dong, Hong; Gong, Cheng; Addou, Rafik; McDonnell, Stephen; Azcatl, Angelica; Qin, Xiaoye; Wang, Weichao; Wang, Weihua; Hinkle, Christopher L; Wallace, Robert M

    2017-11-08

    MoS 2 , as a model transition metal dichalcogenide, is viewed as a potential channel material in future nanoelectronic and optoelectronic devices. Minimizing the contact resistance of the metal/MoS 2 junction is critical to realizing the potential of MoS 2 -based devices. In this work, the Schottky barrier height (SBH) and the band structure of high work function Pd metal on MoS 2 have been studied by in situ X-ray photoelectron spectroscopy (XPS). The analytical spot diameter of the XPS spectrometer is about 400 μm, and the XPS signal is proportional to the detection area, so the influence of defect-mediated parallel conduction paths on the SBH does not affect the measurement. The charge redistribution by Pd on MoS 2 is detected by XPS characterization, which gives insight into metal contact physics to MoS 2 and suggests that interface engineering is necessary to lower the contact resistance for the future generation electronic applications.

  8. Heterojunction BiOI/Bi2MoO6 nanocomposite with much enhanced photocatalytic activity

    International Nuclear Information System (INIS)

    Li, Wen Ting; Zheng, Yi Fan; Yin, Hao Yong; Song, Xu Chun

    2015-01-01

    BiOI/Bi 2 MoO 6 heterostructures with different amounts of BiOI were successfully prepared via a facile deposition method. The obtained BiOI/Bi 2 MoO 6 photocatalysts exhibited much higher visible light (λ > 420 nm) induced photocatalytic activity compared with single Bi 2 MoO 6 and BiOI photocatalysts. 20 % BiOI/Bi 2 MoO 6 nanocomposite exhibited the highest photocatalytic activity with almost all RhB decomposed within 70 min. However, excess BiOI covering on the surface of Bi 2 MoO 6 can inversely reduce the photocatalytic activity. The enhanced photocatalytic activities could be resulted from the function of the novel p–n heterojunction interface between Bi 2 MoO 6 and BiOI, which could separate photoinduced carriers efficiently. Possible mechanisms on the basis of the relative band positions were also discussed

  9. Unexpected strong magnetism of Cu doped single-layer MoS₂ and its origin.

    Science.gov (United States)

    Yun, Won Seok; Lee, J D

    2014-05-21

    The magnetism of the 3d transition-metal (TM) doped single-layer (1L) MoS2, where the Mo atom is partially replaced by the 3d TM atom, is investigated using the first-principles density functional calculations. In a series of 3d TM doped 1L-MoS2's, the induced spin polarizations are negligible for Sc, Ti, and Cr dopings, while the induced spin polarizations are confirmed for V, Mn, Fe, Co, Ni, Cu, and Zn dopings and the systems become magnetic. Especially, the Cu doped system shows unexpectedly strong magnetism although Cu is nonmagnetic in its bulk state. The driving force is found to be a strong hybridization between Cu 3d states and 3p states of neighboring S, which results in an extreme unbalanced spin-population in the spin-split impurity bands near the Fermi level. Finally, we also discuss further issues of the Cu induced magnetism of 1L-MoS2 such as investigation of additional charge states, the Cu doping at the S site instead of the Mo site, and the Cu adatom on the layer (i.e., 1L-MoS2).

  10. Geochemistry of marine and lacustrine bands in the Upper Carboniferous of the Netherlands

    NARCIS (Netherlands)

    Kombrink, H.; Os, B.J.H. van; Zwan, C.J. van der; Wong, Th.E.

    2008-01-01

    Geochemical studies on Upper Carboniferous marine bands showed that marked enrichment in redox-sensitive trace elements (uranium (U), vanadium (V), molybdenum (Mo)) mostly occur if they contain Goniatites. Goniatites indicate deposition in relatively distal and deep marine environments. In contrast,

  11. Study of intruder band in 112Sn

    International Nuclear Information System (INIS)

    Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Raut, R.; Bhattacharya, S.; Saha-Sarkar, M.; Goswami, A.; Mukhopadhyay, S.; Mukherjee, A.; Mukherjee, G.; Basu, S.K.

    2007-01-01

    Excited states of the positive-parity intruder band in 112 Sn, populated in the 100 Mo( 20 Ne,α4n) reaction at a beam energy of 136 MeV, have been studied. The band has been observed up to 11570.0 keV with spin (24 + ). Mean lifetimes have been measured for six states up to the 22 + , 10335.1 keV level and an upper limit of the lifetime has been estimated for the 11570.0 keV (24 + ) state. The B(E2) values, derived from the present lifetime results, correspond to a moderate quadrupole deformation of β 2 ∼0.18 for states with spin J π >=12 + , and the decrease in B(E2) for the 14 + ->12 + transition is consistent with a ν(h 11/2 ) 2 alignment at ω∼0.35 MeV, predicted by a cranked shell-model calculation. Total Routhian surface calculations predict a triaxial shape following the alignment

  12. Two dimensional MoS{sub 2}/graphene p-n heterojunction diode: Fabrication and electronic characteristics

    Energy Technology Data Exchange (ETDEWEB)

    Su, Wei-Jhih [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Chang, Hsuan-Chen [Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Shih, Yi-Ting [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Wang, Yi-Ping [Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Hsu, Hung-Pin [Department of Electronic Engineering, Ming Chi University of Technology, 84 Gungjuan Road, New Taipei City 24301, Taiwan (China); Huang, Ying-Sheng [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Lee, Kuei-Yi, E-mail: kylee@mail.ntust.edu.tw [Graduate Institute of Electro-Optical Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China); Department of Electronic and Computer Engineering, National Taiwan University of Science and Technology, 43, Section 4, Keelung Road, Taipei 10607, Taiwan (China)

    2016-06-25

    Molybdenum disulfide (MoS{sub 2}) films are currently the most potential semiconductor materials of the two-dimensional nano-material heterojunction. Few-layer MoS{sub 2} is an n-type semiconductor that has good mechanical strength, high carrier mobility, and has similar thickness as graphene. Graphene is presently the thinnest two-dimensional material with good thermal conductivity and high carrier mobility. The graphene Fermi level can be precisely controlled using the oxygen adsorption. Therefore, graphene can be tuned from zero-gap to p-type semiconductor material using the amount of adsorbed oxygen. In this study we combine few-layer MoS{sub 2} and graphene to produce a heterojunction and exhaustively study the interface properties for heterojunction diode application. According to the results, the MoS{sub 2} band-gap increases with decreasing thickness. The I–V characteristics of the MoS{sub 2}/Graphene p-n junction diodes can be precisely tuned by adjusting different thicknesses of the MoS{sub 2} films. By applying our fabricating method, MoS{sub 2}/Graphene heterojunction diode can be easily constructed and have potential to different applications. - Highlights: • We controlled the layer thickness of MoS{sub 2} by different exfoliation times. • We presented Raman scattering of MoS{sub 2} and define their layers number. • The few-layer MoS{sub 2}/graphene pn junction diode was synthesized. • We measured the device current and voltage characteristics. • The built-in potential barrier could be adjusted by controlling MoS{sub 2} thicknesses.

  13. Fe/Co doped molybdenum diselenide: a promising two-dimensional intermediate-band photovoltaic material

    International Nuclear Information System (INIS)

    Zhang, Jiajia; He, Haiyan; Pan, Bicai

    2015-01-01

    An intermediate-band (IB) photovoltaic material is an important candidate in developing the new-generation solar cell. In this paper, we propose that the Fe-doped or the Co-doped MoSe 2 just meets the required features in IB photovoltaic materials. Our calculations demonstrate that when the concentration of the doped element reaches 11.11%, the doped MoSe 2 shows a high absorptivity for both infrared and visible light, where the photovoltaic efficiency of the doped MoSe 2 is as high as 56%, approaching the upper limit of photovoltaic efficiency of IB materials. So, the Fe- or Co-doped MoSe 2 is a promising two-dimensional photovoltaic material. (paper)

  14. Noise exposure in marching bands

    Science.gov (United States)

    Keefe, Joseph

    2005-09-01

    Previous studies involving orchestras have shown that music ensembles can produce hazardous noise levels. There are no similar data for marching bands and pep bands. In order to evaluate the noise levels produced by marching and pep bands, 1/3-octave-band sound-pressure levels were measured while these groups rehearsed and performed. Data were collected while marching with the bands to ensure a realistic environment. Comparing these data to OSHA and NIOSH criteria, marching and pep band exposures often exceed safe values. For typical exposures, OSHA doses range from 11% to 295%, while NIOSH doses range from 35% to 3055%. Exposures that would be considered hazardous in the workplace are common in marching and pep bands; students and band directors should take steps to recognize the risk posed by various instruments and various locations, and should implement hearing conservation efforts.

  15. 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.

  16. Ternary system of Na2MoO4-Cs2MoO4-MoO3

    International Nuclear Information System (INIS)

    Zueva, V.P.; Shabanova, A.N.; Drobasheva, T.I.

    1982-01-01

    Using the methods of thermal analysis interaction of components in ternary system Na 2 MoO 4 -Cs 2 MoO 4 -MoO 3 has been studied. Crystallization surface consists of nine fields belonging to initial components and compounds of lateral sides. Triangulation of the system is carried out and the character of nonvariant points is clarified, the temperature of 360 deg C corresponds to low-melting eutectics

  17. 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.

  18. Semiconductors bonds and bands

    CERN Document Server

    Ferry, David K

    2013-01-01

    As we settle into this second decade of the twenty-first century, it is evident that the advances in micro-electronics have truly revolutionized our day-to-day lifestyle. The technology is built upon semiconductors, materials in which the band gap has been engineered for special values suitable to the particular application. This book, written specifically for a one semester course for graduate students, provides a thorough understanding of the key solid state physics of semiconductors. It describes how quantum mechanics gives semiconductors unique properties that enabled the micro-electronics revolution, and sustain the ever-growing importance of this revolution.

  19. Synthesis, surface structure and optical properties of double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Lei; Wan, Yingpeng [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Xie, Hongde, E-mail: xiehongde@suda.edu.cn [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Huang, Yanlin; Yang, Li [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Qin, Lin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan, 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan, 608-737 (Korea, Republic of)

    2016-12-15

    Highlights: • Double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles were prepared via sol-gel route. • The nanoparticles have efficient optical absorption in visible light. • The band structure and energy positions were determined. • The perovskite has efficient photocatalytic on RhB photodegradation. • Multivalent Mo and Ni-ions on the surfaces were investigated. - Abstract: Double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles were synthesized via the chemical sol-gel route. The phase formation was investigated through X-ray polycrystalline diffraction (XRD) and Rietveld refinements. The perovskite crystallized in worm-like nano-grains with the diameter of 20–50 nm. The optical properties were measured by the optical absorption spectra. The nanoparticles present an indirect allowed transition with a narrow band gap of 2.1 eV. Sr{sub 2}NiMoO{sub 6} nanoparticles have obvious photocatalytic ability on the degradation of Rhodamine B (RhB) solutions under the irradiation of visible light. The transport behaviors of the excitons were investigated from the photoluminescence spectra and the corresponding decay lifetimes. Sr{sub 2}NiMoO{sub 6} nanoparticles present several advantages for photocatalysis such as the appropriate band energy positions, the quenched luminescence, and the coexistence of multivalent ions in the lattices.

  20. Defect assisted coupling of a MoS2/TiO2 interface and tuning of its electronic structure.

    Science.gov (United States)

    Chen, Guifeng; Song, Xiaolin; Guan, Lixiu; Chai, Jianwei; Zhang, Hui; Wang, Shijie; Pan, Jisheng; Tao, Junguang

    2016-09-02

    Although MoS2 based heterostructures have drawn increased attention, the van der Waals forces within MoS2 layers make it difficult for the layers to form strong chemical coupled interfaces with other materials. In this paper, we demonstrate the successful strong chemical attachment of MoS2 on TiO2 nanobelts after appropriate surface modifications. The etch-created dangling bonds on TiO2 surfaces facilitate the formation of a steady chemically bonded MoS2/TiO2 interface. With the aid of high resolution transmission electron microscope measurements, the in-plane structure registry of MoS2/TiO2 is unveiled at the atomic scale, which shows that MoS2[1-10] grows along the direction of TiO2[001] and MoS2[110] parallel to TiO2[100] with every six units of MoS2 superimposed on five units of TiO2. Electronically, type II band alignments are realized for all surface treatments. Moreover, the band offsets are delicately correlated to the surface states, which plays a significant role in their photocatalytic performance.

  1. Degenerate band edge laser

    Science.gov (United States)

    Veysi, Mehdi; Othman, Mohamed A. K.; Figotin, Alexander; Capolino, Filippo

    2018-05-01

    We propose a class of lasers based on a fourth-order exceptional point of degeneracy (EPD) referred to as the degenerate band edge (DBE). EPDs have been found in parity-time-symmetric photonic structures that require loss and/or gain; here we show that the DBE is a different kind of EPD since it occurs in periodic structures that are lossless and gainless. Because of this property, a small level of gain is sufficient to induce single-frequency lasing based on a synchronous operation of four degenerate Floquet-Bloch eigenwaves. This lasing scheme constitutes a light-matter interaction mechanism that leads also to a unique scaling law of the laser threshold with the inverse of the fifth power of the laser-cavity length. The DBE laser has the lowest lasing threshold in comparison to a regular band edge laser and to a conventional laser in cavities with the same loaded quality (Q ) factor and length. In particular, even without mirror reflectors the DBE laser exhibits a lasing threshold which is an order of magnitude lower than that of a uniform cavity laser of the same length and with very high mirror reflectivity. Importantly, this novel DBE lasing regime enforces mode selectivity and coherent single-frequency operation even for pumping rates well beyond the lasing threshold, in contrast to the multifrequency nature of conventional uniform cavity lasers.

  2. MoO3 trapping layers with CF4 plasma treatment in flash memory applications

    International Nuclear Information System (INIS)

    Kao, Chuyan Haur; Chen, Hsiang; Chen, Su-Zhien; Chen, Chian Yu; Lo, Kuang-Yu; Lin, Chun Han

    2014-01-01

    Highlights: • MoO 3 -based flash memories have been fabricated. • CF4 plasma treatment could enhance good memory performance. • Material analyses confirm that plasma treatment eliminated defects. • Fluorine atoms might fix the dangling bonds. - Abstract: In this research, we used MoO 3 with CF 4 plasma treatment as charge trapping layer in metal-oxide-high-k -oxide-Si-type memory. We analyzed material properties and electrical characteristics with multiple analyses. The plasma treatment could increase the trapping density, reduce the leakage current, expand band gap, and passivate the defect to enhance the memory performance. The MoO 3 charge trapping layer memory with suitable CF 4 plasma treatment is promising for future nonvolatile memory applications

  3. 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)

  4. Electronic structure of structural open derivatives of the [Mo6X14]2- cluster: [Mo5Cl13]2- and [Mo4I11]2-

    International Nuclear Information System (INIS)

    Miessner, H.; Korol'kov, D.V.

    1983-01-01

    The electronic structure of structural open derivatives of the [Mo 6 X 14 ] 2 - -cluster [Mo 5 Cl 13 ] 2 - and [Mo 4 I 11 ] 2 - has been studied by the EHMO method. In [Mo 5 Cl 13 ] 2 - 9 occupied MO's with dominant Mo4d character are responsible for the formation of the 8 metal-metal bonds. In [Mo 4 I 11 ] 2 - the stronger covalent character of the Mo-I bonds affects the localization and the energy of molecular orbitals and also the charge distribution. The metal-metal bonds are formed by 8 MO's containing considerable participation of halogen AO's contrary to the chloride cluster. There is no bonding between the Mo atoms at the wing tips of the Mo 4 butterfly and the reason for decreasing the dihedral angle between the Mo 3 planes in [Mo 4 I 11 ] 2 - compared with the octahedral angle is apparently the stabilization of the whole system (Mo-Mo and Mo-I bonds). The unpaired electron occupies in both clusters a slightly antibonding (with regard to the Mo-Mo bonds) orbital. (author)

  5. Creep and shrinkage of Mo(Ni)

    International Nuclear Information System (INIS)

    Kaysser, W.A.; Hofmann-Amtenbrink, M.; Petzow, G.

    1984-01-01

    To avoid some of the errors inherent in a quantitative interpretation of shrinkage of powder compacts as Mo-Ni, other experiments were looked for, where the influence of Ni on the material transport properties of Mo could be measured semi-quantitatively during heating up to temperature and subsequent isothermal annealing. The bending of thin Mo foils under small loads was found to be an experimental arrangement, where variations in stress, in Ni-concentration and in intrinsic material properties could be realized. The results of these creep experiments will be compared in a qualitative sense with sintering experiments in Mo-Ni done under similar conditions as the creep experiments

  6. 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

  7. Giant valley drifts in uniaxially strained monolayer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Schwingenschloegl, Udo; Zhang, Qingyun; Cheng, Yingchun; Gan, Li-Yong [PSE Division, KAUST, Thuwal 23955 (Saudi Arabia)

    2016-07-01

    Using first-principles calculations, we study the electronic structure of monolayer MoS{sub 2} 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.

  8. 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.

  9. Structural instability and ground state of the U{sub 2}Mo compound

    Energy Technology Data Exchange (ETDEWEB)

    Losada, E.L., E-mail: losada@cab.cnea.gov.ar [SIM" 3, Centro Atómico Bariloche, Comisión Nacional de Energía Atómica (Argentina); Garcés, J.E. [Gerencia de Investigación y Aplicaciones Nucleares, Comisión Nacional de Energía Atómica (Argentina)

    2015-11-15

    This work reports on the structural instability at T = 0 °K of the U{sub 2}Mo compound in the C11{sub b} structure under the distortion related to the C{sub 66} elastic constant. The electronic properties of U{sub 2}Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11{sub b} structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D{sub 6} distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U{sub 2}Mo due to the D{sub 6} distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U{sub 2}Mo compound is not the assumed C11{sub b} structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U{sub 2}Mo compound.

  10. Structural instability and ground state of the U_2Mo compound

    International Nuclear Information System (INIS)

    Losada, E.L.; Garcés, J.E.

    2015-01-01

    This work reports on the structural instability at T = 0 °K of the U_2Mo compound in the C11_b structure under the distortion related to the C_6_6 elastic constant. The electronic properties of U_2Mo such as density of states (DOS), bands and Fermi surface (FS) are studied to understand the source of the instability. The C11_b structure can be interpreted as formed by parallel linear chains along the z-directions each one composed of successive U–Mo–U blocks. Hybridization due to electronic interactions inside the U–Mo–U blocks is slightly modified under the D_6 distortion. The change in distance between chains modifies the U–U interaction and produces a split of f-states. The distorted structure is stabilized by a decrease in energy of the hybridized states, mainly between d-Mo and f-U states, together with the f-band split. Consequently, an induced Peierls distortion is produced in U_2Mo due to the D_6 distortion. It is important to note that the results of this work indicate that the structure of the ground state of the U_2Mo compound is not the assumed C11_b structure. It is suggested for the ground state a structure with hexagonal symmetry (P6 #168), ∼0.1 mRy below the energy of the recently proposed Pmmn structure. - Highlights: • Structural instability of the C11b compound due to the D6 deformation. • Induced Peierls distortion due to the D6 deformation. • Distorted structure is stabilized by hybridization and split of f-Uranium state. • P6 (#168) suggested ground state for the U_2Mo compound.

  11. Orthorhombic MoO{sub 3} nanobelts based NO{sub 2} gas sensor

    Energy Technology Data Exchange (ETDEWEB)

    Mane, A.A. [Thin Film Nanomaterials Laboratory, Department of Physics, Shivaji University, Kolhapur 416 004 (India); General Science and Humanities Department, Sant Gajanan Maharaj College of Engineering, Mahagaon, 416 503 (India); Moholkar, A.V., E-mail: avmoholkar@gmail.com [Thin Film Nanomaterials Laboratory, Department of Physics, Shivaji University, Kolhapur 416 004 (India)

    2017-05-31

    Highlights: • The effect of thickness on physicochemical and NO{sub 2} gas sensing properties of sprayed MoO{sub 3} nanobelts has been reported. • The sprayed MoO{sub 3} nanobelts show the NO{sub 2} gas response of 68% for 100 ppm concentration at an operating temperature of 200 °C. • The lower detection limit of MoO{sub 3} nanobelts based NO{sub 2} sensor is found to be half of the IDLH value (20 ppm). - Abstract: Molybdenum trioxide (MoO{sub 3}) nanobelts have been deposited onto the glass substrates using chemical spray pyrolysis (CSP) deposition method. The XRD patterns reveal that films are polycrystalline having an orthorhombic crystal structure. Raman spectra confirm that the films are orthorhombic in phase. The XPS study shows the presence of two well resolved spectral lines of Mo-3d core levels appearing at the binding energy values of 232.82 eV and 235.95 eV corresponding to Mo-3d{sub 5/2} and Mo-3d{sub 3/2}, respectively. These binding energy values are assigned to Mo{sup 6+} oxidation state of fully oxidized MoO{sub 3}. The FE-SEM micrographs show the formation of nanobelts-like morphology. The AFM micrographs reveal that the RMS surface roughness increases from 16.5 nm to 17.5 nm with increase in film thickness from 470 nm to 612 nm and then decreases to 16 nm for 633 nm film thickness. The band gap energy is found to be decreased from 3.40 eV to 3.38 eV. To understand the electronic transport phenomenon in MoO{sub 3} thin films, dielectric properties are studied. For 612 nm film thickness, the highest NO{sub 2} gas response of 68% is obtained at an operating temperature of 200 °C for 100 ppm concentration with response and recovery times of 15 s and 150 s, respectively. The lower detection limit is found to be 10 ppm which is half of the immediately dangerous to life or health (IDLH) value of 20 ppm. Finally, NO{sub 2} gas sensing mechanism in an orthorhombic MoO{sub 3} crystal structure is discussed in detail.

  12. Creep strength of 10 CrMo 9 10 welding material

    International Nuclear Information System (INIS)

    Maile, K.; Theofel, H.

    1993-01-01

    Samples from different welding materials of the heat-resistant steel 10 Cr Mo 10 were subjected to creep tests. The maximum duration of stressing was 36,000 hours. At a text temperature of 450 C, the creep behaviour is considerably affected by different initial strengths. At 500 and 550 C, the creep fracture points for most of the welding materials in the long term range lie scattered in a relatively narrow band. This range is at or just below the lower scatteer band limit of the basic material (corresponding to DIN 17175, mean value ± 20%. (orig.) [de

  13. On the reduction of orthorhombic MoO3 to MoO2

    International Nuclear Information System (INIS)

    Delannay, F.

    1982-01-01

    Electron diffraction shows evidence of topotactic orientation relationships between the original MoO 3 crystal and MoO 2 crystals formed under mild reduction conditions. These relationships differ from previously published literature data. A possible mechanism of formation of the [100] strings of edge sharing octahedra in the MoO 2 structure is tentatively proposed. (author)

  14. Microwave effects on NiMoS and CoMoS single-sheet catalysts.

    Science.gov (United States)

    Borges, I; Silva, Alexander M; Modesto-Costa, Lucas

    2018-05-04

    Single-sheet nanoclusters of MoS 2 , NiMoS or CoMoS are widely used in hydrodesulfurization (HDS) catalysis in the petroleum industry. In HDS reactions under microwave irradiation, experiments indirectly pointed out that for pristine MoS 2 reaction rates are accelerated because hot spots are generated on the catalyst bed. In this work, we investigated NiMoS and CoMoS isolated single-sheet substituted catalysts before and after thiophene adsorption focusing on quantifying the effect of microwave irradiation. For that purpose, density functional theory (DFT) molecular charge densities of each system were decomposed according to the distributed multipole analysis (DMA) of Stone. Site dipole values of each system were directly associated with a larger or smaller interaction with the microwave field according to a proposed general approach. We showed that microwave enhancement of HDS reaction rates can occur more efficiently in the CoMoS and NiMoS promoted clusters compared to pristine MoS 2 in the following order: CoMoS > NiMoS > MoS 2 . The atomic origin of the catalyst hot spots induced by microwaves was clearly established in the promoted clusters.

  15. 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...

  16. Postirradiation tensile properties of Mo and Mo alloys irradiated with 600 MeV protons

    International Nuclear Information System (INIS)

    Mueller, G.V.; Gavillet, D.; Victoria, M.; Martin, J.L.

    1994-01-01

    Tensile specimens of pure Mo and Mo-5 Re, Mo-41 Re and TZM alloys have been irradiated with 600 MeV protons in the PIREX facility at 300 and 660 K to 0.5 dpa. Results of the postirradiation tensile testing show a strong radiation hardening and a severe loss of ductility for all the materials tested at room temperature. ((orig.))

  17. Photoluminescence Enhancement and Structure Repairing of Monolayer MoSe 2 by Hydrohalic Acid Treatment

    KAUST Repository

    Han, Hau-Vei

    2015-12-30

    Atomically thin two-dimensional transition-metal dichalcogenides (TMDCs) have attracted much attention recently due to their unique electronic and optical properties for future optoelectronic devices. The chemical vapor deposition (CVD) method is able to generate TMDCs layers with a scalable size and a controllable thickness. However, the TMDC monolayers grown by CVD may incorporate structural defects, and it is fundamentally important to understand the relation between photoluminescence and structural defects. In this report, point defects (Se vacancies) and oxidized Se defects in CVD-grown MoSe2 monolayers are identified by transmission electron microscopy and X-ray photoelectron spectroscopy. These defects can significantly trap free charge carriers and localize excitons, leading to the smearing of free band-to-band exciton emission. Here, we report that the simple hydrohalic acid treatment (such as HBr) is able to efficiently suppress the trap-state emission and promote the neutral exciton and trion emission in defective MoSe2 monolayers through the p-doping process, where the overall photoluminescence intensity at room temperature can be enhanced by a factor of 30. We show that HBr treatment is able to activate distinctive trion and free exciton emissions even from highly defective MoSe2 layers. Our results suggest that the HBr treatment not only reduces the n-doping in MoSe2 but also reduces the structural defects. The results provide further insights of the control and tailoring the exciton emission from CVD-grown monolayer TMDCs.

  18. 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)

  19. Tuning the optical emission of MoS{sub 2} nanosheets using proximal photoswitchable azobenzene molecules

    Energy Technology Data Exchange (ETDEWEB)

    Li, Juan [Physik Department and NIM, Walter Schottky Institute, Technische Universität München, Am Coulombwall 4, Garching D-85748 (Germany); Physik Department E20, Technische Universität München, James-Franck-St. 1, Garching D-85748 (Germany); Wierzbowski, Jakob; Ceylan, Özlem; Klein, Julian; Anh, Tuan Le; Meggendorfer, Felix; Finley, Jonathan J.; Margapoti, Emanuela, E-mail: emanuela.margapoti@wsi.tum.de [Physik Department and NIM, Walter Schottky Institute, Technische Universität München, Am Coulombwall 4, Garching D-85748 (Germany); Nisic, Filippo; Dragonetti, Claudia [Dipartimento di Chimica, Università degli Studi di Milano and UdR dell' INSTM di Milano, Via Golgi 19, I-20133 Milano (Italy); Palma, Carlos-Andres; Barth, Johannes V. [Physik Department E20, Technische Universität München, James-Franck-St. 1, Garching D-85748 (Germany)

    2014-12-15

    We report photoluminescence measurements performed on monolayer- and two-layer-MoS{sub 2} placed on two types of mixed self-assembled monolayers (mSAMs) of photoswitchable azobenzene molecules. The two mSAMs differ via the electronegative character of the azobenzene derivatives. Thin layers of a transition metal dichalcogenide—MoS{sub 2}—were mechanically exfoliated on mSAM to allow for direct interaction between the molecules and the MoS{sub 2} layers. When the MoS{sub 2} nanosheet is in contact with the electropositive azobenzene molecules in trans configuration, an emission side band at lower energies and at low excitation powers suggest n-type doping. The photoisomerization of the molecules from trans to cis configuration lowers the doping, quenching the side band and enhancing the overall PL efficiency by a factor of ∼3. Opposite results were observed with the chlorinated, more electronegative molecules, exhibiting a reversed trend in the PL efficiency between trans and cis, but with an overall larger intensity. The type of doping induced by the two types of mSAMs was determined by Kelvin probe force microscopy technique.

  20. M = Mo, W; X = S, Se, Te) heterostructures

    KAUST Repository

    Zhang, Qingyun

    2018-04-16

    Using first-principles calculations, we investigate the electronic properties of the two-dimensional GaX/MX2 (M = Mo, W; X = S, Se, Te) heterostructures. Orbital hybridization between GaX and MX2 is found to result in Rashba splitting at the valence-band edge around the Γ point, which grows for increasing strength of the spin-orbit coupling in the p orbitals of the chalcogenide atoms. The location of the valence-band maximum in the Brillouin zone can be tuned by strain and application of an out-of-plane electric field. The coexistence of Rashba splitting (in-plane spin direction) and band splitting at the K and K′ valleys (out-of-plane spin direction) makes GaX/MX2 heterostructures interesting for spintronics and valleytronics. They are promising candidates for two-dimensional spin-field-effect transistors and spin-valley Hall effect devices. Our findings shed light on the spin-valley coupling in van der Waals heterostructures.

  1. 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.

  2. 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.

  3. Explorations of new phases in the Ga(III)/In(III)-Mo(VI)-Se(IV)/Te(IV)-O systems.

    Science.gov (United States)

    Kong, Fang; Hu, Chun-Li; Hu, Ting; Zhou, Yong; Mao, Jiang-Gao

    2009-07-07

    Systematic explorations of new phases in the Ga(III)/In(III)-Mo(VI)-Se(IV)/Te(IV)-O systems by hydrothermal syntheses or solid-state reactions at high-temperature led to four new quaternary compounds, namely, Ga(2)MoQ(2)O(10) (Q = Se, Te), In(2)Mo(2)Se(2)O(13)(H(2)O) and In(2)MoTe(2)O(10). Ga(2)MoQ(2)O(10) (Q = Se, Te) are isostructural and their structures feature a 3D network of gallium selenite/tellurite with 12-member ring tunnels along b-axis, the distorted MoO(6) octahedra are attached on the wall of the above tunnels. The structure of In(2)Mo(2)Se(2)O(13)(H(2)O) features a new pillared-layered architecture composed of 2D indium(III) selenite layers that are interconnected by Mo(2)O(10) dimers, forming 8-membered ring tunnels along the b-axis. The structure of In(2)MoTe(2)O(10) features a 2D indium oxide layer formed by corner- and edge-sharing InO(6) and InO(7) polyhedra with MoO(4) tetrahedra and TeO(n) (n = 4, 5) polyhedra hanging on both sides of the layer, there are weak interlayer Te-O bonds of 2.512 A. Results of optical diffuse reflectance spectrum measurements indicate that all four compounds are insulators, which are in agreement with results of band structure calculations based on DFT methods.

  4. Wide band ENDOR spectrometer

    International Nuclear Information System (INIS)

    Mendonca Filho, C.

    1973-01-01

    The construction of an ENDOR spectrometer operating from 0,5 to 75 MHz within a single band, with ore Klystron and homodine detection, and no fundamental changes on the electron spin resonance spectrometer was described. The ENDOR signal can be detected both by amplitude modulation of the frequency field, or direct detection of the ESR output, which is taken to a signal analyser. The signal-to-noise ratio is raised by averaging rather than filtering avoiding the use of long time constants, providing natural line widths. The experimental apparatus and the spectra obtained are described. A discussion, relating the ENDOR line amplitudes with the experimental conditions is done and ENDOR mechanism, in which there is a relevant presence of cross relaxation is proposed

  5. Electronic band structure

    International Nuclear Information System (INIS)

    Grosso, G.

    1986-01-01

    The aim of this chapter is to present, in detail, some theoretical methods used to calculate electronic band structures in crystals. The basic strategies employed to attack the problem of electronic-structure calculations are presented. Successive sections present the basic formulations of the tight-binding, orthogonalized-plane-wave, Green'sfunction, and pseudopotential methods with a discussion of their application to perfect solids. Exemplifications in the case of a few selected problems provide further insight by the author into the physical aspects of the different methods and are a guide to the use of their mathematical techniques. A discussion is offered of completely a priori Hartree-Fock calculations and attempts to extend them. Special aspects of the different methods are also discussed in light of recently published related work

  6. Synthesis, characterization and structural control of nano crystalline molybdenum oxide MoO{sub 3} single phase by low cost technique

    Energy Technology Data Exchange (ETDEWEB)

    Afify, H.H.; Hassan, S.A. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Abouelsayed, A., E-mail: as.abouelsayed@gmail.com [Spectroscopy Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Demian, S.E. [Solid State Department, Physics Division, National Research Centre, 33 El Bohouthst. (fromer El Tahrirst.), Dokki, P.O. 12622, Giza (Egypt); Zayed, H.A. [Physics Department, Faculty of Girls for Art, Sciences and Education, Ain Shams University (Egypt)

    2016-06-15

    Thermodynamically stable α- MoO{sub 3} thin film is prepared without any other phases of the molybdenum oxides. Simple and low coast spray pyrolysis technique is used. Growth conditions are optimized to produce pure α- MoO{sub 3} with controlled crystallite size and surface morphology. Small angle (GAXRD) diffractometer is used to elucidate the structure. Profile shape function (PSF) model is made for the experimental data. WinFit software is going first to fit (PSF) to use the refined profile parameters for determination of crystallite size and internal residual strain. The (GAXRD) patterns prove the existence of α- MoO{sub 3} only with layered structure, indicated by the appearance of only (0k0). The calculated crystallite sizes and the strain are found to range from 10 to 28 nm and 0.28%–0.05% respectively. Ultraviolet and Visible transmission measurements were performed over a wavelength range 190–2500 nm on the MoO{sub 3} thin films synthesized by spray pyrolysis technique at different substrate temperature. The two sub-bands corresponds to the electronic transition between the molybdenum oxidation states Mo{sup 4+}, Mo{sup 5+} and Mo{sup 6+} are observed. Quantitative information on the temperature-induced blue shift of the sub-bands was obtained by fitting the spectra with Lorentz functions. The transition from Mo{sup 5+} to Mo{sup 6+} oxidation states show a blue shift up to Tc = 325 °C. Above Tc, the transition Mo{sup 5+} to Mo{sup 6+} increases more drastically, resulting in an anomaly in the temperature-induced shift at Tc. The anomaly can be attributed to the amorphous-to-crystalline phase transition at 325 °C. In addition, both refractive index and extinction coefficient are calculated as a function of substrate temperature. - Highlights: • Single phase α-MoO{sub 3} nano crystalline MoO{sub 3} thin films have been synthesized. • Amorphous-to-crystalline phase transition occurs at 325 °C for MoO{sub 3} thin films. • A clear

  7. Experimental study of ΔI=1 bands in 111In

    International Nuclear Information System (INIS)

    Banerjee, P.; Pradhan, M. K.; Ganguly, S.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2011-01-01

    The two ΔI=1 bands in 111 In, built upon the 3461.0 and 4931.8 keV states, have been studied. The bands were populated in the reaction 100 Mo( 19 F, α4nγ) at a beam energy of 105 MeV. Mean lifetimes of nine states, four in the first and five in the second band, have been determined for the first time from Doppler shift attenuation data. The deduced B(M1) rates and their behavior as a function of level spin support the interpretation of these bands within the framework of the shears mechanism. The geometrical model of Machiavelli et al. has been used to derive the effective gyromagnetic ratios for the two bands.

  8. Experimental study of ΔI=1 bands in In111

    Science.gov (United States)

    Banerjee, P.; Ganguly, S.; Pradhan, M. K.; Sharma, H. P.; Muralithar, S.; Singh, R. P.; Bhowmik, R. K.

    2011-02-01

    The two ΔI=1 bands in In111, built upon the 3461.0 and 4931.8 keV states, have been studied. The bands were populated in the reaction Mo100(F19,α4nγ) at a beam energy of 105 MeV. Mean lifetimes of nine states, four in the first and five in the second band, have been determined for the first time from Doppler shift attenuation data. The deduced B(M1) rates and their behavior as a function of level spin support the interpretation of these bands within the framework of the shears mechanism. The geometrical model of Machiavelli has been used to derive the effective gyromagnetic ratios for the two bands.

  9. Size-tunable band alignment and optoelectronic properties of transition metal dichalcogenide van der Waals heterostructures

    Science.gov (United States)

    Zhao, Yipeng; Yu, Wangbing; Ouyang, Gang

    2018-01-01

    2D transition metal dichalcogenide (TMDC)-based heterostructures exhibit several fascinating properties that can address the emerging market of energy conversion and storage devices. Current achievements show that the vertical stacked TMDC heterostructures can form type II band alignment and possess significant optoelectronic properties. However, a detailed analytical understanding of how to quantify the band alignment and band offset as well as the optimized power conversion efficiency (PCE) is still lacking. Herein, we propose an analytical model to exhibit the PCEs of TMDC van der Waals (vdW) heterostructures and explore the intrinsic mechanism of photovoltaic conversion based on the detailed balance principle and atomic-bond-relaxation correlation mechanism. We find that the PCE of monolayer MoS2/WSe2 can be up to 1.70%, and that of the MoS2/WSe2 vdW heterostructures increases with thickness, owing to increasing optical absorption. Moreover, the results are validated by comparing them with the available evidence, providing realistic efficiency targets and design principles. Highlights • Both electronic and optoelectronic models are developed for vertical stacked MoS2/WSe2 heterostructures. • The underlying mechanism on size effect of electronic and optoelectronic properties for vertical stacked MoS2/WSe2 heterostructures is clarified. • The macroscopically measurable quantities and the microscopical bond identities are connected.

  10. 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.

  11. 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.

  12. Getting nanometric MoO3 through chemical synthesis and high energy milling

    International Nuclear Information System (INIS)

    Santos-Beltrán, M.; Paraguay-Delgado, F.; Santos-Beltrán, A.; Fuentes, L.

    2015-01-01

    The effects of high energy mechanical milling (HEMM) were studied on the microstructure and optical properties of MoO 3 for hexagonal and orthorhombic phases. Employing HEMM was possible change particle size as a function of mechanical milling time, as well as the small quantity transformation percentage from hexagonal to orthorhombic phase. The relationship between microstrain and optical properties generated was studied. The electronic structures were calculated using the Density Functional Theory (DFT); to determinate partial density of state (PDOS). Band gap structure calculations show a good correlation between experimental and simulated data. The approximated values of microstrain, particle size, lattice parameters and oxygen vacancies were obtained employing the Rietveld refinement of X-ray diffraction patterns. Samples were characterized by electron microscopy techniques, surface area analysis (BET), thermal-gravimetric analysis (TGA), differential scanning calorimetry (DSC) and ultraviolet–visible spectroscopy (UV–Vis). It was possible, obtain particles with size below 40 nm by 30 min milling. - Graphical abstract: Orthorhombic phase, SEM image, SAED before milling, milling NPs, Particle size and band gap variation by milling time. - Highlights: • MoO 3 with hexagonal and orthorhombic structures was synthesized selectively. • By milling short time (30 m), it was possible get 40 nm diameter particles. • The band gap decrease for nanoparticles, then corroborated by simulation. • MoO 3 nanoparticles get high surface area for new technologic applications

  13. XPS study on the electronic structure of hydrided Ti-V, Ti-Nb and Ti-Mo alloys

    International Nuclear Information System (INIS)

    Tanaka, Kazuhide; Aoki, Hiromasa

    1989-01-01

    Effects of hydrogenation on the core and valence electronic structures of β(bcc)-stabilized Ti-25at%V, Ti-50at%Nb and Ti-20at%Mo alloys are studied with XPS technique using monochromatized Al K α radiation. Small but uniform binding-energy shifts are observed upon hydrogenation for all the core spectra measured. Their valence-band spectra are significantly distorted, providing an evidence of the formation of metal-hydrogen bonding bands in these Ti alloys. Interrelations between the core binding-energy shifts and the valence-band distortion are discussed. (orig.)

  14. Stability and electronic properties of SiC nanowire adsorbed on MoS{sub 2} monolayer

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Munish, E-mail: munishsharmahpu@live.com; Pooja,; Ahluwalia, P. K. [Department of Physics, Himachal Pradesh University, Shimla, H. P., 171005 (India); Kumar, Ashok [Department of Physics, Panjab University, Chandigarh, 160014 (India)

    2015-06-24

    Structural stability and electronic properties of silicon carbide (SiC) nano-wire on MoS{sub 2} monolayer are investigated within the framework of density functional theory (DFT). The preferred binding site for the SiC nano-wire is predicted to be hollow site of monolayer. In the electronic band structure the states in valence band near Fermi level are mainly due to nano-wire leading to reduction of band gap relative to monolayer. These results provide a platform for their applications in optoelectronic devices.

  15. On the Mo-Papas equation

    Science.gov (United States)

    Aguirregabiria, J. M.; Chamorro, A.; Valle, M. A.

    1982-05-01

    A new heuristic derivation of the Mo-Papas equation for charged particles is given. It is shown that this equation cannot be derived for a point particle by closely following Dirac's classical treatment of the problem. The Mo-Papas theory and the Bonnor-Rowe-Marx variable mass dynamics are not compatible.

  16. Quantum Debye-Hueckel theory and the possible plasma phase transition

    International Nuclear Information System (INIS)

    Baker, G. Jr.

    1998-01-01

    In this paper the author first sketches the calculation of the pressure of a neutral, ion-electron gas as an expansion in powers of the electron charge, e, by means of the Matsubara, finite-temperature, many-body, perturbation theory. He then goes on to derive the Debye-Hue term and other equations to support his contentions. His results support but do not prove the existence of a phase transition

  17. 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.

  18. 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.

  19. 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

  20. Zn doped MoO3 nanobelts and the enhanced gas sensing properties to ethanol

    Science.gov (United States)

    Yang, Shuang; Liu, Yueli; Chen, Tao; Jin, Wei; Yang, Tingqiang; Cao, Minchi; Liu, Shunshun; Zhou, Jing; Zakharova, Galina S.; Chen, Wen

    2017-01-01

    Zn doped MoO3 nanobelts with the thickness of 120-275 nm, width of 0.3-1.4 μm and length of more than 100 μm are prepared by hydrothermal reaction. The operating temperature of sensors based on Zn doped MoO3 nanobelts is 100-380 °C with a better response to low concentration of ethanol. The highest response value of sensors based on Zn doped MoO3 to 1000 ppm ethanol at 240 °C is 321, which is about 15 times higher than that of pure MoO3 nanobelts. The gas sensors based on Zn doped MoO3 nanobelts possess good selectivity to ethanol compared with methanol, ammonia, acetone and toluene, which implies that it would be a good candidate in the potential application. The improvement of gas sensing properties may be attributed to the increasing absorbed ethanol, the decreasing probability of ethoxy recombination, the promoted dehydrogenation progress at lower temperature, and the narrowed band gap by Zn doping.

  1. Introducing DInaMo: A Package for Calculating Protein Circular Dichroism Using Classical Electromagnetic Theory

    Directory of Open Access Journals (Sweden)

    Igor V. Uporov

    2015-09-01

    Full Text Available The dipole interaction model is a classical electromagnetic theory for calculating circular dichroism (CD resulting from the π-π* transitions of amides. The theoretical model, pioneered by J. Applequist, is assembled into a package, DInaMo, written in Fortran allowing for treatment of proteins. DInaMo reads Protein Data Bank formatted files of structures generated by molecular mechanics or reconstructed secondary structures. Crystal structures cannot be used directly with DInaMo; they either need to be rebuilt with idealized bond angles and lengths, or they need to be energy minimized to adjust bond lengths and bond angles because it is common for crystal structure geometries to have slightly short bond lengths, and DInaMo is sensitive to this. DInaMo reduces all the amide chromophores to points with anisotropic polarizability and all nonchromophoric aliphatic atoms including hydrogens to points with isotropic polarizability; all other atoms are ignored. By determining the interactions among the chromophoric and nonchromophoric parts of the molecule using empirically derived polarizabilities, the rotational and dipole strengths are determined leading to the calculation of CD. Furthermore, ignoring hydrogens bound to methyl groups is initially explored and proves to be a good approximation. Theoretical calculations on 24 proteins agree with experiment showing bands with similar morphology and maxima.

  2. Electric conductivity and lattice disorder of PbMoO4 crystals

    International Nuclear Information System (INIS)

    Bollmann, W.

    1980-01-01

    From differential thermal analysis (DTA), thermal etching, perfectly reversable redox treatments and electric conductivity it is concluded that the Pb/Mo ratio of the PbMoO 4 crystals is always 1 and that phase transitions do not occur. Pb 3+ ions detectable by an absorption band at 435 nm cause a p-conductivity due to the reaction Pb 3+ reversible Pb ++ + e + . At elevated temperatures the p-conductivity increases with increasing oxygen partial pressure of the surrouding atmosphere. The influence of foreign ions on the concentration of ionic and electronic defects in PbMoO 4 , CaMoO 4 , PbO, and PbTiO 3 can be explained by an anti-Frenkel disorder of the oxygen ion sublattice. For PbMoO 4 crystals the mobility O -- ion vacancies and the free formation enthalpy of anti-Frenkel defects are found to be vsub(v) = 9160/T exp (-1.15 eV/kT) cm 2 K/Vs and gsub(AF) = 3.6 kT - 2.2 eV, respectively. (author)

  3. Mo1-xWxSe2-Based Schottky Junction Photovoltaic Cells.

    Science.gov (United States)

    Yi, Sum-Gyun; Kim, Sung Hyun; Park, Sungjin; Oh, Donggun; Choi, Hwan Young; Lee, Nara; Choi, Young Jai; Yoo, Kyung-Hwa

    2016-12-14

    We developed Schottky junction photovoltaic cells based on multilayer Mo 1-x W x Se 2 with x = 0, 0.5, and 1. To generate built-in potentials, Pd and Al were used as the source and drain electrodes in a lateral structure, and Pd and graphene were used as the bottom and top electrodes in a vertical structure. These devices exhibited gate-tunable diode-like current rectification and photovoltaic responses. Mo 0.5 W 0.5 Se 2 Schottky diodes with Pd and Al electrodes exhibited higher photovoltaic efficiency than MoSe 2 and WSe 2 devices with Pd and Al electrodes, likely because of the greater adjusted band alignment in Mo 0.5 W 0.5 Se 2 devices. Furthermore, we showed that Mo 0.5 W 0.5 Se 2 -based vertical Schottky diodes yield a power conversion efficiency of ∼16% under 532 nm light and ∼13% under a standard air mass 1.5 spectrum, demonstrating their remarkable potential for photovoltaic applications.

  4. Efficient active waveguiding properties of Mo6 nano-cluster-doped polymer nanotubes

    Science.gov (United States)

    Bigeon, J.; Huby, N.; Amela-Cortes, M.; Molard, Y.; Garreau, A.; Cordier, S.; Bêche, B.; Duvail, J.-L.

    2016-06-01

    We investigate 1D nanostructures based on a Mo6@SU8 hybrid nanocomposite in which photoluminescent Mo6 clusters are embedded in the photosensitive SU8 resist. Tens of micrometers long Mo6@SU8-based tubular nanostructures were fabricated by the wetting template method, enabling the control of the inner and outer diameter to about 190 nm and 240 nm respectively, as supported by structural and optical characterizations. The image plane optical study of these nanotubes under optical pumping highlights the efficient waveguiding phenomenon of the red luminescence emitted by the clusters. Moreover, the wave vector distribution in the Fourier plane determined by leakage radiation microscopy gives additional features of the emission and waveguiding. First, the anisotropic red luminescence of the whole system can be attributed to the guided mode along the nanotube. Then, a low-loss propagation behavior is evidenced in the Mo6@SU8-based nanotubes. This result contrasts with the weaker waveguiding signature in the case of UV210-based nanotubes embedding PFO (poly(9,9-di-n-octylfluorenyl-2,7-diyl)). It is attributed to the strong reabsorption phenomenon, owing to overlapping between absorption and emission bands in the semi-conducting conjugated polymer PFO. These results make this Mo6@SU8 original class of nanocomposite a promising candidate as nanosources for submicronic photonic integration.

  5. 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)

  6. Mo(ve)ment-methodology

    DEFF Research Database (Denmark)

    Mørck, Line Lerche; Christian Celosse-Andersen, Martin

    2018-01-01

    This paper describes the theoretical basis for and development of a moment-movement research methodology, based on an integration of critical psychological practice research and critical ethnographic social practice theory. Central theoretical conceptualizations, such as human agency, life...... conditions and identity formation, are discussed in relation to criminological theories of gang desistance. The paper illustrates how the mo(ve)ment methodology was applied in a study of comprehensive processes of identity (re)formation and gang exit processes. This study was conducted with Martin, a former....... This is a moment which captures Martin’s complex and ambiguous feelings of conflictual concerns, frustration, anger, and a new feeling of insecurity in his masculinity, as well as engagement and a sense of deep meaningfulness as he becomes a more reflective academic. All these conflicting feelings also give...

  7. Development of fission Mo-99 production technology

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2000-05-01

    Fission Mo-99 is the only parent nuclide of Tc-99m, an extremely useful tool for mdeical diagnosis, with an estimated usage of greater than 80% of nuclear medicine applicatons. HEU and LEU targets to optimize in HANARO irradiation condition suggested and designed for domestic production of fission Mo-99. The optimum process conditions are established in each unit process to meet quality requirements of fission Mo-99 products, and the results of performance test in combined process show Mo separation and purification yield of the above 97%. The concept of Tc generator production process is established, and the result of performance test show Tc production yield of 98.4% in Tc generator procuction process. The drafts is prepared for cooperation of technical cooperation and business investment with foreign country. Evaluation on economic feasibility is accompanied for fission Mo-99 and Tc-99m generator production.

  8. Development of fission Mo-99 production technology

    International Nuclear Information System (INIS)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2000-05-01

    Fission Mo-99 is the only parent nuclide of Tc-99m, an extremely useful tool for mdeical diagnosis, with an estimated usage of greater than 80% of nuclear medicine applicatons. HEU and LEU targets to optimize in HANARO irradiation condition suggested and designed for domestic production of fission Mo-99. The optimum process conditions are established in each unit process to meet quality requirements of fission Mo-99 products, and the results of performance test in combined process show Mo separation and purification yield of the above 97%. The concept of Tc generator production process is established, and the result of performance test show Tc production yield of 98.4% in Tc generator procuction process. The drafts is prepared for cooperation of technical cooperation and business investment with foreign country. Evaluation on economic feasibility is accompanied for fission Mo-99 and Tc-99m generator production

  9. 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.

  10. 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.

  11. Solution chemistry of Mo(III) and Mo(IV): Thermodynamic foundation for modeling localized corrosion

    International Nuclear Information System (INIS)

    Wang Peiming; Wilson, Leslie L.; Wesolowski, David J.; Rosenqvist, Joergen; Anderko, Andrzej

    2010-01-01

    To investigate the behavior of molybdenum dissolution products in systems that approximate localized corrosion environments, solubility of Mo(III) in equilibrium with solid MoO 2 has been determined at 80 deg. C as a function of solution acidity, chloride concentration and partial pressure of hydrogen. The measurements indicate a strong increase in solubility with acidity and chloride concentration and a weak effect of hydrogen partial pressure. The obtained results have been combined with literature data for systems containing Mo(III), Mo(IV), and Mo(VI) in solutions to develop a comprehensive thermodynamic model of aqueous molybdenum chemistry. The model is based on a previously developed framework for simulating the properties of electrolyte systems ranging from infinite dilution to solid saturation or fused salt limit. To reproduce the measurements, the model assumes the presence of a chloride complex of Mo(III) (i.e., MoCl 2+ ) and hydrolyzed species (MoOH 2+ , Mo(OH) 2 + , and Mo(OH) 3 0 ) in addition to the Mo 3+ ion. The model generally reproduces the experimental data within experimental scattering and provides a tool for predicting the phase behavior and speciation in complex, concentrated aqueous solutions. Thus, it provides a foundation for simulating the behavior of molybdenum species in localized corrosion environments.

  12. Spent 99Mo/99mTc generator as an economical source of 99Mo

    International Nuclear Information System (INIS)

    El-Kolaly, M.T.

    1990-01-01

    An improved method for utilization and purification of 99 Mo from spent 90 Mo/ 99m Tc generators has been described. After washing the generator with saline to remove the generated 99m Tc, followed by 2 mL 5 M NaOH containing a few drops of H 2 O 2 , the 99 Mo was quantitatively eluted from the generator with 5 mL 5 M NaOH. The alkaline eluate containing 99 Mo was contaminated with partially dissolved alumina. In the present method, an anion-exchange resin Dowex 1 x 8 column was used for purification of 99 Mo from the contaminating alumina. The resultant 99 Mo was of high purity and contained 3+ /mL 99 Mo solution, as estimated by atomic absorption. (author)

  13. Phase formation in Na2MoO4 - MgMoO4 - Cr2(MoO4)3 system

    International Nuclear Information System (INIS)

    Kotova, I.Yu.; Kozhevnikova, N.M.

    1998-01-01

    Interaction within Na 2 MoO 4 - MgMoO 4 - Cr 2 (MoO 4 ) 3 ternary system is studied by X ray phase and DTA methods. State diagram of NaCr(MoO 4 ) 2 - MgMoO 4 section is plotted. Production of ternary molybdates of Na 1-x Mg 1-x Cr 1+x (MoO 4 ) 3 , where 0 ≤ x ≤ 0.3, and NaMg 3 Cr(MoO 4 ) 5 composition is ascertained [ru

  14. Deep absorption band in Cu(In,Ga)Se{sub 2} thin films and solar cells observed by transparent piezoelectric photothermal spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Shirakata, Sho; Atarashi, Akiko [Faculty of Engineering, Ehime University, Matsuyama 790-8577 (Japan); Yagi, Masakazu [Kagawa National College of Technology, Mitoyo-shi 769-1192 (Japan)

    2015-06-15

    The photo-acoustic spectroscopy (PAS) using a transparent piezoelectric photo-thermal (Tr-PPT) method was carried out on Cu(In,Ga)Se{sub 2} (CIGS) thin films (both CIGS/Mo/SLG and CdS/CIGS/Mo/SLG) and solar cells (ZnO/CdS/CIGS/Mo/SLG). Using the Tr-PPT method, the high background absorption in the below gap region observed in both a microphone and a conventional transducer PAS spectra was strongly reduced. This high background absorption came from the CIGS/Mo interface. This result proves that the Tr-PPT PAS is the surface sensitive method. In the below-band region, a bell-shape deep absorption band has been observed at 0.76 eV, in which a full-width at the half-maximum value was 70-120 meV. This deep absorption band was observed for both CdS/CIGS/Mo/SLG and ZnO/CdS/CIGS/Mo/SLG structures. The peak energy of the absorption band was independent of the alloy composition for 0.25≤Ga/III≤0.58. Intensity of the PA signal was negatively correlated to the Na concentration at the CIGS film surface. The origin of the 0.76 eV peak is discussed with relation to native defects such as a Cu-vacancy-related defect (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  15. AMORE Mo-99 Spike Test Results

    Energy Technology Data Exchange (ETDEWEB)

    Youker, Amanda J. [Argonne National Lab. (ANL), Argonne, IL (United States); Krebs, John F. [Argonne National Lab. (ANL), Argonne, IL (United States); Quigley, Kevin J. [Argonne National Lab. (ANL), Argonne, IL (United States); Byrnes, James P. [Argonne National Lab. (ANL), Argonne, IL (United States); Rotsch, David A [Argonne National Lab. (ANL), Argonne, IL (United States); Brossard, Thomas [Argonne National Lab. (ANL), Argonne, IL (United States); Wesolowski, Kenneth [Argonne National Lab. (ANL), Argonne, IL (United States); Alford, Kurt [Argonne National Lab. (ANL), Argonne, IL (United States); Chemerisov, Sergey [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George F. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2017-09-27

    With funding from the National Nuclear Security Administrations Material Management and Minimization Office, Argonne National Laboratory (Argonne) is providing technical assistance to help accelerate the U.S. production of Mo-99 using a non-highly enriched uranium (non-HEU) source. A potential Mo-99 production pathway is by accelerator-initiated fissioning in a subcritical uranyl sulfate solution containing low enriched uranium (LEU). As part of the Argonne development effort, we are undertaking the AMORE (Argonne Molybdenum Research Experiment) project, which is essentially a pilot facility for all phases of Mo-99 production, recovery, and purification. Production of Mo-99 and other fission products in the subcritical target solution is initiated by putting an electron beam on a depleted uranium (DU) target; the fast neutrons produced in the DU target are thermalized and lead to fissioning of U-235. At the end of irradiation, Mo is recovered from the target solution and separated from uranium and most of the fission products by using a titania column. The Mo is stripped from the column with an alkaline solution. After acidification of the Mo product solution from the recovery column, the Mo is concentrated (and further purified) in a second titania column. The strip solution from the concentration column is then purified with the LEU Modified Cintichem process. A full description of the process can be found elsewhere [1–3]. The initial commissioning steps for the AMORE project include performing a Mo-99 spike test with pH 1 sulfuric acid in the target vessel without a beam on the target to demonstrate the initial Mo separation-and-recovery process, followed by the concentration column process. All glovebox operations were tested with cold solutions prior to performing the Mo-99 spike tests. Two Mo-99 spike tests with pH 1 sulfuric acid have been performed to date. Figure 1 shows the flow diagram for the remotely operated Mo-recovery system for the AMORE project

  16. Photoelectrochemical properties and band structure of oxide films on zirconium-transition metal alloys

    International Nuclear Information System (INIS)

    Takahashi, Kazuo; Uno, Masayoshi; Okui, Mihoko; Yamanaka, Shinsuke

    2006-01-01

    The microalloying effects of 4d and 5d transition metals, M (M: Nb, Mo, Ta, W) on the photoelectrochemical properties, the flat band potential (U fb ) and the band gap energy (E g ), for zirconium oxide films were investigated by photoelectrochemical measurements and band calculation. Button ingots of zirconium-5 mol% M (M: Nb, Mo, Ta, W) were made from high-purity metals (99.9% purity) by arc melting in a purified argon atmosphere. These plate specimens were sealed into silica tubes in vacuum, and then homogenized at 1273 K for 24 h. Subsequently, these specimens were oxidized up to 1173 K. The photocurrent of each specimen was evaluated at room temperature under the irradiation of Xe lamp (500 W) through grating monochrometer and cut-off filter. 0.1 M Na 2 SO 4 solution was used as the electrolyte. The value of the flat band potential was higher and the value of the band gap energy was smaller than that of pure zirconium oxide film in all sample. It was found from the calculation by CASTEP code that the decreases in band gap energy of these oxide films was due to formation of 4d or 5d orbital of transition metals

  17. Alloying as a Route to Monolayer Transition Metal Dichalcogenides with Improved Optoelectronic Performance: Mo(S1–xSex)2 and Mo1–yWyS2

    KAUST Repository

    Shi, Zhiming

    2018-04-26

    On the basis of first-principles and cluster expansion calculations, we propose an effective approach to realize monolayer transition metal dichalcogenides with sizable band gaps and improved optoelectronic performance. We show that monolayer Mo(S1–xSex)2 and Mo1–yWyS2 with x = 1/3, 2/3 and y = 1/3, 1/2, 2/3 are stable according to phonon calculations and realize 1T′ or 1T″ phases. The transition barriers from the 2H phase are lower than for monolayer MoS2, implying that the 1T′ or 1T″ phases can be achieved experimentally. Furthermore, it turns out that the 1T″ monolayer alloys with x = 1/3, 2/3 and y = 1/3, 2/3 are semiconductors with band gaps larger than 1 eV, due to trimerization. The visible light absorption and carrier mobility are strongly improved as compared to 2H monolayer MoS2, MoSe2, and WS2. Thus, the 1T″ monolayer alloys have the potential to expand the applications of transition metal dichalcogenides, for example, in solar cells.

  18. One-dimensional growth of hexagonal rods of metastable h-MoO3 using one-pot, rapid and environmentally benign supercritical fluid processing

    Science.gov (United States)

    Thangasamy, Pitchai; Shanmugapriya, Vadivel; Sathish, Marappan

    2018-05-01

    A facile and one-pot supercritical fluid method was demonstrated for the synthesis of phase pure crystalline h-MoO3 microrods within a short reaction time of 5 min at 400 °C. The formation of h-MoO3 was confirmed by X-ray diffraction (XRD), Fourier transform infrared (FT-IR) and Raman spectroscopic analysis. Scanning electron microscopy (SEM) and Transmission electron microscopy (TEM) images clearly revealed the formation of hexagonal h-MoO3 rods. Further, photoluminescence emission peaks corresponding to band to band transition was observed in the h-MoO3 microrods. It was observed that when increasing the reaction time from 5 min to 30 min at 400 °C, h-MoO3 microrods undergoes disintegration to α-MoO3 thin nanorods. Interestingly, h-MoO3 microrods were also formed in a reaction time of 30 min at 400 °C when reducing the volume of nitric acid from 1 mL to ∼0.5 mL. The short reaction time and simple synthetic strategy makes this method can be suitable for the synthesis of other semiconductor nanomaterials for diverse applications.

  19. Electronic structure of Mo1-x Re x alloys studied through resonant photoemission spectroscopy

    Science.gov (United States)

    Sundar, Shyam; Banik, Soma; Sharath Chandra, L. S.; Chattopadhyay, M. K.; Ganguli, Tapas; Lodha, G. S.; Pandey, Sudhir K.; Phase, D. M.; Roy, S. B.

    2016-08-01

    We studied the electronic structure of Mo-rich Mo1-x Re x alloys (0≤slant x≤slant 0.4 ) using valence band photoemission spectroscopy in the photon energy range 23-70 eV and density of states calculations. Comparison of the photoemission spectra with the density of states calculations suggests that, with respect to the Fermi level E F, the d states lie mostly in the binding energy range 0 to  -6 eV, whereas s states lie in the binding energy range  -4 to  -10 eV. We observed two resonances in the photoemission spectra of each sample, one at about 35 eV photon energy and the other at about 45 eV photon energy. Our analysis suggests that the resonance at 35 eV photon energy is related to the Mo 4p-5s transition and the resonance at 45 eV photon energy is related to the contribution from both the Mo 4p-4d transition (threshold: 42 eV) and the Re 5p-5d transition (threshold: 46 eV). In the constant initial state plot, the resonance at 35 eV incident photon energy for binding energy features in the range E F (BE  =  0) to  -5 eV becomes progressively less prominent with increasing Re concentration x and vanishes for x  >  0.2. The difference plots obtained by subtracting the valence band photoemission spectrum of Mo from that of Mo1-x Re x alloys, measured at 47 eV photon energy, reveal that the Re d-like states appear near E F when Re is alloyed with Mo. These results indicate that interband s-d interaction, which is weak in Mo, increases with increasing x and influences the nature of the superconductivity in alloys with higher x.

  20. 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

  1. Development of fission Mo-99 production technology

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2001-05-01

    This R and D project is planed to supply domestic demands of Mo-99 through fission route, and consequently this project will be expected to rise up utilization of HANARO and KAERI's capability for marketing extension into domestic and oversea radiopharmaceutical market. HEU and LEU target types are decided and designed for fission Mo-99 production in domestic. Experimental study of target fabrication technology was performed and developed processing equipments. And conceptual design of target loading/unloading in/from HANARO device are performed. Tracer test of Mo-99 separation and purification process was performed, test results reach to Mo-99 recovery yield above 80% and decontamination factor above 1600. Combined Mo-99 separation and purification process was decided for hot test scheduled from next year, and performance test was performed. Conceptual design for modification of existing hot cell for fission Mo-99 production facility was performed and will be used for detail design. Assumption for the comparison of LEU and HEU target in fission Mo-99 production process were suggested and compared of merits and demerits in view of fabrication technology and economy feasibility.

  2. Development of fission Mo-99 production technology

    International Nuclear Information System (INIS)

    Park, Jin Ho; Choung, W. M.; Lee, K. I. and others

    2001-05-01

    This R and D project is planed to supply domestic demands of Mo-99 through fission route, and consequently this project will be expected to rise up utilization of HANARO and KAERI's capability for marketing extension into domestic and oversea radiopharmaceutical market. HEU and LEU target types are decided and designed for fission Mo-99 production in domestic. Experimental study of target fabrication technology was performed and developed processing equipments. And conceptual design of target loading/unloading in/from HANARO device are performed. Tracer test of Mo-99 separation and purification process was performed, test results reach to Mo-99 recovery yield above 80% and decontamination factor above 1600. Combined Mo-99 separation and purification process was decided for hot test scheduled from next year, and performance test was performed. Conceptual design for modification of existing hot cell for fission Mo-99 production facility was performed and will be used for detail design. Assumption for the comparison of LEU and HEU target in fission Mo-99 production process were suggested and compared of merits and demerits in view of fabrication technology and economy feasibility

  3. Report from the banding lab

    Science.gov (United States)

    Tautin, J.

    1995-01-01

    Mr. Tautin reported on the seemingly everchanging structure of biological science units within the Interior Department. Current Congressional proposals would either change the name of the Bird Banding Lab's parent agency or make it part of the Geological Survey. The current Congress has not looked favorably on science budgets within the Interior Department, and the Banding Lab's budget is being squeezed ever tighter.

  4. 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.

  5. Effect of Mo and Ti doping concentration on the structural and optical properties of ZnS nanoparticles

    Science.gov (United States)

    Naz, Hina; Ali, Rai Nauman; Zhu, Xingqun; Xiang, Bin

    2018-06-01

    In this paper, we report the effect of single phase Mo and Ti doping concentration on the structural and optical properties of the ZnS nanoparticles. The structural and optical properties of the as-synthesized samples have been examined by x-ray diffraction, transmission electron microscopy (TEM), UV-visible near infrared absorption spectroscopy and x-ray photoelectron spectroscopy. TEM characterizations reveal a variation in the doped ZnS nanoparticle size distribution by utilizing different dopants of Mo and Ti. In absorption spectra, a clear red shift of 14 nm is observed with increasing Mo concentration as compared to pure ZnS nanoparticles, while by increasing Ti doping concentration, blue shift of 14 nm is obtained. Moreover, it demonstrates that the value of energy band gap decreases from 4.03 eV to 3.89 eV in case of Mo doping. However, the value of energy band gap have shown a remarkable increase from 4.11 eV to 4.27 eV with increasing Ti doping concentration. Our results provide a new pathway to understand the effect of Mo and Ti doping concentrations on the structural and optical properties of ZnS nanoparticles as it could be the key to tune the properties for future optoelectronic devices.

  6. Strictly monolayer large continuous MoS{sub 2} films on diverse substrates and their luminescence properties

    Energy Technology Data Exchange (ETDEWEB)

    Mohapatra, P. K.; Deb, S.; Singh, B. P.; Vasa, P.; Dhar, S., E-mail: dhar@phy.iitb.ac.in [Department of Physics, Indian Institute of Technology Bombay, Mumbai 400076 (India)

    2016-01-25

    Despite a tremendous interest on molybdenum disulfide as a thinnest direct band gap semiconductor, single step synthesis of a large area purely monolayer MoS{sub 2} film has not yet been reported. Here, we report a CVD route to synthesize a continuous film of strictly monolayer MoS{sub 2} covering an area as large as a few cm{sup 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{sub 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{sub 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{sub 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.

  7. Synthesis and luminescence properties of SrMoO{sub 4}:RE{sup 3+} (RE = Eu or Tb) phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Cho, Shinho [Silla University, Busan (Korea, Republic of)

    2014-05-15

    SrMoO{sub 4}:RE{sup 3+} (RE = Eu or Tb) phosphors were synthesized with different concentrations of activator ions by using the conventional solid-state reaction method. The effects of the concentration of activator ions on the structural, morphological, and optical properties of strontium molybdate phosphors were investigated by using X-ray diffraction, scanning electron microscopy, and fluorescence spectrophotometry, respectively. XRD patterns revealed that all synthesized phosphors showed the tetragonal SrMoO{sub 4} structure, irrespective of the type and the concentration of activator ions. The crystallite size showed an overall increasing tendency with increasing concentration of activator ions. The emission spectra of Eu{sup 3+}-doped SrMoO{sub 4} phosphors under excitation at 295 nm exhibited one intense red band at 619 nm and five weak bands centered at 541, 561, 596, 657, and 704 nm, respectively. For the Tb{sup 3+}-doped SrMoO{sub 4} phosphors, a strong emission peak at 550 nm and two weak lines, 494 and 591 nm, were observed. The intensities of all the emission bands reached maxima when 0.05 mol of Tb{sup 3+} ions was used. The results suggest that the optimum concentrations for synthesizing highly-luminescent red and green phosphors are 0.01 mol and 0.05 mol, respectively.

  8. Dual-band infrared camera

    Science.gov (United States)

    Vogel, H.; Schlemmer, H.

    2005-10-01

    Every year, numerous accidents happen on European roads due to bad visibility (fog, night, heavy rain). Similarly, the dramatic aviation accidents of year 2001 in Milan and Zurich have reminded us that aviation safety is equally affected by reduced visibility. A dual-band thermal imager was developed in order to raise human situation awareness under conditions of reduced visibility especially in the automotive and aeronautical context but also for all transportation or surveillance tasks. The chosen wavelength bands are the Short Wave Infrared SWIR and the Long Wave Infrared LWIR band which are less obscured by reduced visibility conditions than the visible band. Furthermore, our field tests clearly show that the two different spectral bands very often contain complementary information. Pyramidal fusion is used to integrate complementary and redundant features of the multi-spectral images into a fused image which can be displayed on a monitor to provide more and better information for the driver or pilot.

  9. Mass spectrometric determination of stability of gaseous BaMoO2, Ba2MoO4, Ba2MoO5, Ba2Mo2O8 molecules

    International Nuclear Information System (INIS)

    Kudin, L.S.; Balduchchi, Dzh.; Dzhil'i, G.; Gvido, M.

    1982-01-01

    During the mass spectrometric investigation of BaCrO 4 evaporation Cr + , Ba + , BaO + main ions are recorded as well as BaMoO 4 + , BaMoO 3 + , BaMoO 2 + , BaMoO + , BaMoO 4 + , Ba 2 MoO 5 + , BaMo 2 O 8 + ions - the products of ionization of three-component (Ba, Mo, M) molecules, forming as a result of substance chemical interaction with the material of an effusion cell (Mo). Heats of formation of BaMoO 2 , Ba 2 MoO 4 , Ba 2 MoO 5 and Ba 2 Mo 2 O 8 molecules which constituted - 577+-70, -1343+-115, -1464+-70, -2393+-90 k J/mol respectively are determined on the base of the analysis of curves of ionisation efficiency and of reaction heats Ba 2 MoO 5 =BaO+BaMoO 4 , ΔH 0 0 =322+-60 kJ/mol Ba 2 Mo 2 O 8 =2BaMoO 4 , ΔH 0 0 =351+-80 kJ/mol calculated with the use of third low of thermodynamics [ru

  10. Extended analysis of Mo VI

    International Nuclear Information System (INIS)

    Edlen, B.; Rahimullah, K.; Tauheed, A.; Chaghtai, M.S.Z.

    1985-01-01

    The analysis of the RbI-like spectrum Mo VI has been extended to include a total of some 110 classified lines and 44 energy levels belonging to the one-electron configurations 4s 2 4p 6 ( 1 S)nl with n ranging up to 9 and l up to 7. The analysis is based on recordings of vacuum spark spectra made at Lund in the region 230-2350 A, complemented by a list of lines from 2193 to 6336 A observed and identified by Romanov and Striganov in a Penning type arc discharge. The one-electron level system is partly mixed with core-excited configurations, not treated in the present paper. Especially the nf series is strongly perturbed by 4s 2 4p 5 4d 2 , and an anomalous behaviour of the ng series is explained by interaction with the 2 G term of 4s4p 6 4d 2 . The ionization limit, derived from 6h, 7i and 8k by means of the polarization formula, is found to be 555 132+-2 cm -1 . (orig.)

  11. Sol-gel synthesis, structure and photoluminescence properties of nanocrystalline Lu{sub 2}MoO{sub 6}:Eu

    Energy Technology Data Exchange (ETDEWEB)

    Li, Huaiyong; Yang, Hyun Kyoung [Department of Physics, Pukyong National University, 599-1 Nam-Gu, Daeyeon 3 Dong, Busan 608-737 (Korea, Republic of); Jeong, Jung Hyun, E-mail: jhjeong@pknu.ac.kr [Department of Physics, Pukyong National University, 599-1 Nam-Gu, Daeyeon 3 Dong, Busan 608-737 (Korea, Republic of); Jang, Kiwan; Lee, Ho Sueb [Department of Physics, Changwon National University, Changwon 641-773 (Korea, Republic of); Yi, Soung Soo [Department of Electronic Material Engineering, Silla University, Busan 617-736 (Korea, Republic of)

    2011-09-15

    Highlights: {yields} Monoclinic-structural Lu{sub 2}MoO{sub 6} has strong absorption of near-UV light. {yields} The absorbed energy can be transferred from MoO{sub 5} groups to doped Eu{sup 3+} and luminescence. {yields} The absorption edge and the peak of the MoO{sub 5} excitation band shift in reverse ways. {yields} The decline of the crystallinity and the introduced defect respond for the variation. -- Abstract: In this paper, we reported the obtention of Eu{sup 3+} ion doped Lu{sub 2}MoO{sub 6} powders synthesized by a sol-gel method, and followed by annealing at different temperatures. The structure and photoluminescence properties of these powders were investigated. The X-ray diffraction pattern suggests that Lu{sub 2}MoO{sub 6} powder has a monoclinic structure. It was observed that the UV-visible and photoluminescence spectra of Lu{sub 2}MoO{sub 6}:Eu nanocrystallines varied systematically with the calcination temperature. The near-UV absorption edge shifts to long wavelength direction with the decreasing of the calcination temperature, while the peak of MoO{sub 5} excitation band shifts in an opposite way. The decline of the crystallinity and the introduced lattice defect were considered to respond for these variations. Additionally, due to the efficient red light emission under near-UV light excitation, the powder can be a candidate as red phosphor for white-light-emitting diodes.

  12. Nanoparticles of superconducting γ-Mo2N and δ-MoN

    International Nuclear Information System (INIS)

    Gomathi, A.; Sundaresan, A.; Rao, C.N.R.

    2007-01-01

    We have been able to prepare nanoparticles (∼4 nm diameter) of cubic γ-Mo 2 N by a simple procedure involving the reaction of MoCl 5 with urea at 873 K. The nanoparticles show a superconducting transition around 6.5 K. The γ-Mo 2 N nanoparticles are readily transformed to nanoparticles of δ-MoN with a slightly larger diameter on heating in a NH 3 atmosphere at 573 K. Phase-pure δ-MoN obtained by this means shows a superconducting transition around 5 K. - Graphical abstract: TEM image of the γ-Mo 2 N particles with the inset showing the resistivity of the sample as a function of temperature

  13. SINGLE-BAND, TRIPLE-BAND, OR MULTIPLE-BAND HUBBARD MODELS

    NARCIS (Netherlands)

    ESKES, H; SAWATZKY, GA

    1991-01-01

    The relevance of different models, such as the one-band t-J model and the three-band Emery model, as a realistic description of the electronic structure of high-T(c) materials is discussed. Starting from a multiband approach using cluster calculations and an impurity approach, the following

  14. Doping induced grain size reduction and photocatalytic performance enhancement of SrMoO{sub 4}:Bi{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yunjian, E-mail: wangyunjianmail@163.com; Xu, Hui; Shao, Congying; Cao, Jing, E-mail: caojing@mail.ipc.ac.cn

    2017-01-15

    Graphical abstract: Photocatalytic performance of SrMoO{sub 4} was greatly improved by Bi{sup 3+} doping effects, including crystalline size reduction, band gap narrowing, and lattice contraction. - Highlights: • An efficient SrMoO{sub 4} photocatalyst was fabricated by Bi{sup 3+} doping under hydrothermal condition. • Bi{sup 3+} doping effects, including crystalline size reduction, band gap narrowing, and lattice contraction were discovered in SrMoO{sub 4} nanomaterials. • The photocatalytic activity was great improved on account of Bi{sup 3+} doping effects. • Photoluminescence studies found that hydroxyl radical (·OH) is the main active species in the photocatalytic degradation process. - Abstract: Ion doping is one of the most effective ways to develop photocatalysts by creating impurity levels in the energy band structure. In this paper, novel Bi{sup 3+} doped SrMoO{sub 4} (SrMoO{sub 4}:Bi{sup 3+}) nanocrystals were prepared by a simple hydrothermal method. By systematic characterizations using x-ray diffraction, infrared spectra, UV–vis spectra, X-ray photoelectron spectroscopy and transmission electron microscopy, it is demonstrated that all the samples crystallized in a single phase of scheelite structure, and particle sizes of SrMoO{sub 4}:Bi{sup 3+} gradually decreased. The Bi{sup 3+} doped nanoparticles showed lattice contraction, and band-gap narrowing. The photocatalytic activity of the samples was measured by monitoring the degradation of methylene blue dye in an aqueous solution under UV-radiation exposure. It is found that SrMoO{sub 4}:Bi{sup 3+} showed excellent activity toward photodegradation of methylene blue solution under UV light irradiation compared to the pure SrMoO{sub 4}. These observations are interpreted in terms of the Bi{sup 3+} doping effects and the increased the surface active sites, which results in the improved the ratio of surface charge carrier transfer rate and reduced the electron–hole recombination rate. These

  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. Cryogenic deformation microstructures of 32Mn-7Cr-1Mo-0.3N austenitic steels

    International Nuclear Information System (INIS)

    Fu Ruidong; Qiu Liang; Wang Tiansheng; Wang Cunyu; Zheng Yangzeng

    2005-01-01

    The cryogenic deformation microstructures of impact and tensile specimens of 32Mn-7Cr-1Mo-0.3N austenitic steel were investigated using light microscopy and transmission electron microscopy. The results show that the deformation microstructures of the impact specimens are mainly composed of stacking faults, network dislocation, slip bands, and a few mechanical twins and ε-martensite. These microstructures cross with each other in a crystal angle. The deformation microstructures of the tensile specimens consist only of massive slip bands, in which a few mechanical twins and ε-martenite are located. Because of the larger plastic deformation the slip band traces become bent. All the deformation microstructures are formed on the {111} planes and along the orientation

  17. Floodplain Mapping Submission for Oregon County, MO

    Data.gov (United States)

    Federal Emergency Management Agency, Department of Homeland Security — The Floodplain Mapping study deliverables depict and quantify the flood risks for Oregon County, MO. The City of Thayer and the Missouri State Emergency Management...

  18. Alternative energy resources for MoDOT

    Science.gov (United States)

    2011-02-01

    This research investigates environmentally friendly alternative energy sources that could be used by MoDOT in various areas, and develops applicable and sustainable strategies to implement those energy sources.

  19. Phase transformations in Mo-doped FINEMETs

    Energy Technology Data Exchange (ETDEWEB)

    Silveyra, Josefina M., E-mail: jsilveyra@fi.uba.a [Lab. de Solidos Amorfos, INTECIN, FIUBA-CONICET, Paseo Colon 850, (C1063ACV) Buenos Aires (Argentina); Illekova, Emilia; Svec, Peter; Janickovic, Dusan [Institute of Physics SAS, Dubravska cesta 9, 845 11 Bratislava (Slovakia); Rosales-Rivera, Andres [Laboratorio de Magnetismo y Materiales Avanzados, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Colombia, Manizales (Colombia); Cremaschi, Victoria J. [Lab. de Solidos Amorfos, INTECIN, FIUBA-CONICET, Paseo Colon 850, (C1063ACV) Buenos Aires (Argentina)

    2010-06-15

    In this paper, the phase transformations occurring during the crystallization process of FINEMETs in which Nb has been gradually replaced by Mo have been studied by a variety of techniques including DSC, DTA, TGA, XRD and TEM. The thermal stability of the alloy was deteriorated as a consequence of Mo's smaller atomic size. The gradual replacement of Nb by Mo reduced the onset temperature of Fe-Si and of the borides. The Curie temperature of the amorphous phase slightly decreased from 594 K for x=0 to 587 K for x=3. The borides compounds Fe{sub 2}B and Fe{sub 23}B{sub 6} as well as the (Nb,Mo){sub 5}Si{sub 3} phase were found to precipitate in the second and third crystallization.

  20. PRoMoTo 2013 proceedings

    OpenAIRE

    Bishop, Judith; Tillmann, Nikolai; Puder, Arno; Naik, Vinayak

    2013-01-01

    Programming for Mobile and Touch (PRoMoTo'13) was held at the 2013 ACM SIGPLAN conference on Systems, Programming, Languages and Applications (SPLASH 2013), October 2013 in Indianapolis, USA. Submissions for this event were invited in the general area of mobile and touch-oriented programming languages and programming environments, and teaching of programming for mobile devices. These are proceedings of the PRoMoTo'13.

  1. 99Mo production using MoO3 pellets obtained by mechanical compression and heat treatment

    International Nuclear Information System (INIS)

    Rojas, Jorge; Mendoza, Pablo; Lopez, Alcides

    2014-01-01

    This paper shows the results of the MoO 3 pellets fabrication by mechanical compression and the heat treatment method (MCHT) in order to optimize the production of 99 Mo in the RACSO Nuclear Center. The effects of polyvinyl alcohol (PVA) as binder are assessed by heat treatment of pellets in air atmosphere, evaluating the elimination process with increasing temperature and solubility in 5N NaOH. The results show that the pellets fabrication technique is suitable because fulfills the required technical specifications, allows to irradiate 50 % more of 98 Mo mass and facilitate a safer radiological handling of the irradiated MoO 3 . (authors).

  2. Stress-relieving annealing of Cr-Mo steel for high temperature pressure vessels and the quality change in use

    International Nuclear Information System (INIS)

    Makioka, Minoru; Hirano, Hiromichi

    1976-01-01

    The securing of good mechanical properties is difficult in thick plates for large pressure vessels because cooling rate is insufficient and time is prolonged in heat treatment. Cr-Mo steel plates are usually used in the state of improved notch toughness though somewhat reduced strength by normalizing or accelerated cooling and tempering. If the time for heat treatment is prolonged, the embrittlement occurs. The effects of temperature, holding time, and cooling rate in stress-relieving treatment on the mechanical properties of 1-1/4Cr - 1/2Mo, 2-1/4Cr - 1Mo, 3Cr - 1Mo, and 5Cr - 1/2Mo steels were investigated. The tensile strength lowered almost linearly as the hollomon-Jaffe parameter of heat treatment condition increased in all the steels. The transition temperature shifted continuously to high temperature side in 1-1/4Cr - 1/2Mo steel, but the notch toughness was improved up to certain values and then the tendency turning to brittleness was shown in the other steels, as the H-J parameter increased. When the holding time became longer, the transition temperature shifted to higher temperature side, but the cooling rate showed no effect. The condition for stress relieving treatment must be selected so that the ferrite bands observed in welded metal do not arise. The embrittlement at the operation temperature of 400 - 450 0 C for a long time is evaluated by the comparison with that by stepped cooling method. (Kako, I.)

  3. 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.

  4. Band nesting, massive Dirac fermions, and valley Landé and Zeeman effects in transition metal dichalcogenides: A tight-binding model

    Science.gov (United States)

    Bieniek, Maciej; Korkusiński, Marek; Szulakowska, Ludmiła; Potasz, Paweł; Ozfidan, Isil; Hawrylak, Paweł

    2018-02-01

    We present here the minimal tight-binding model for a single layer of transition metal dichalcogenides (TMDCs) MX 2(M , metal; X , chalcogen) which illuminates the physics and captures band nesting, massive Dirac fermions, and valley Landé and Zeeman magnetic field effects. TMDCs share the hexagonal lattice with graphene but their electronic bands require much more complex atomic orbitals. Using symmetry arguments, a minimal basis consisting of three metal d orbitals and three chalcogen dimer p orbitals is constructed. The tunneling matrix elements between nearest-neighbor metal and chalcogen orbitals are explicitly derived at K ,-K , and Γ points of the Brillouin zone. The nearest-neighbor tunneling matrix elements connect specific metal and sulfur orbitals yielding an effective 6 ×6 Hamiltonian giving correct composition of metal and chalcogen orbitals but not the direct gap at K points. The direct gap at K , correct masses, and conduction band minima at Q points responsible for band nesting are obtained by inclusion of next-neighbor Mo-Mo tunneling. The parameters of the next-nearest-neighbor model are successfully fitted to MX 2(M =Mo ; X =S ) density functional ab initio calculations of the highest valence and lowest conduction band dispersion along K -Γ line in the Brillouin zone. The effective two-band massive Dirac Hamiltonian for MoS2, Landé g factors, and valley Zeeman splitting are obtained.

  5. Strain distributions and their influence on electronic structures of WSe2–MoS2 laterally strained heterojunctions

    KAUST Repository

    Zhang, Chendong

    2018-01-12

    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.

  6. 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.

  7. Strain distributions and their influence on electronic structures of WSe2–MoS2 laterally strained heterojunctions

    KAUST Repository

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

    2018-01-01

    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.

  8. Biodistribution of 99Mo in rats

    International Nuclear Information System (INIS)

    Souza, Raphael Sancho Sisley de; Ribeiro, Bianca da Silva; Dantas, Ana Leticia Almeida; Dantas, Bernardo Maranhao; Bernardo Filho, Mario

    2009-01-01

    The modification of 99 Mo standard metabolism in the presence of MDP would alter the dosimetry of this radionuclide in nuclear medicine patients. Therefore, the objective of this work is to evaluate the influence of MDP in the biodistribution of 99 Mo. Wistar rats were divided in two groups of six animals, being inoculated respectively 99 Molibdate and 99 Mo+MDP via plex ocular. The biodistribution study was carried out after 10 and 120 minutes respectively. The organs were counted with a NaI(Tl) detector. The uptake values did not present significant differences among the groups. An in vitro study through planar chromatography was carried out to determine the affinity between molybdenum and MDP. The results show that 99 Mo has low affinity both to propanone and NaCl-0.9% solution. However, 99 Mo in the presence of MDP presented affinity to NaCl-0.9% solution and low affinity to propanone suggesting that 99 Mo was bound to MDP under the conditions of the experiment. (author)

  9. Enhanced sunlight-driven photocatalytic performance of Bi-doped CdMoO4 benefited from efficient separation of photogenerated charge pairs

    Science.gov (United States)

    Huang, Jiao; Liu, Huanhuan; Zhong, Junbo; Yang, Qi; Chen, Jiufu; Li, Jianzhang; Ma, Dongmei; duan, Ran

    2018-06-01

    In this paper, to further boost the photocatalytic performance of CdMoO4, Bi3+ was successfully doped into CdMoO4 by a facile microwave hydrothermal method. The Bi-doped CdMoO4 photocatalysts prepared were characterized by Brunauer-Emmett-Teller (BET) method, X-ray diffraction (XRD), UV-Vis diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), energy dispersive spectrometer (EDS), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), electron spin-resonance (ESR) and surface photovoltage spectroscopy (SPS). The results exhibit that doping Bi3+ into CdMoO4 remarkably boosts the separation rate of photoinduced charge pairs and the specific surface area, decrease the crystal size, narrows the band gap of the CdMoO4 and induces the binding energy shift of Cd, all these advantageous factors result in the promoted photocatalytic performance of CdMoO4. Using rhodamine B (RhB) as model toxic pollutant, the photocatalytic activities of the photocatalysts were evaluated under a 500 W Xe lamp irradiation. When the molar ratio of Bi/Cd is 0.2%, Bi-CdMoO4 prepared displays the best photocatalytic performance, the photocatalytic performance of the 0.2% sample is more than twice of that of the reference CdMoO4.

  10. Hydrogen Doping into MoO3 Supports toward Modulated Metal-Support Interactions and Efficient Furfural Hydrogenation on Iridium Nanocatalysts.

    Science.gov (United States)

    Xie, Lifang; Chen, Ting; Chan, Hang Cheong; Shu, Yijin; Gao, Qingsheng

    2018-03-16

    As promising supports, reducible metal oxides afford strong metal-support interactions to achieve efficient catalysis, which relies on their band states and surface stoichiometry. In this study, in situ and controlled hydrogen doping (H doping) by means of H 2 spillover was employed to engineer the metal-support interactions in hydrogenated MoO x -supported Ir (Ir/H-MoO x ) catalysts and thus promote furfural hydrogenation to furfuryl alcohol. By easily varying the reduction temperature, the resulting H doping in a controlled manner tailors low-valence Mo species (Mo 5+ and Mo 4+ ) on H-MoO x supports, thereby promoting charge redistribution on Ir and H-MoO x interfaces. This further leads to clear differences in H 2 chemisorption on Ir, which illustrates its potential for catalytic hydrogenation. As expected, the optimal Ir/H-MoO x with controlled H doping afforded high activity (turnover frequency: 4.62 min -1 ) and selectivity (>99 %) in furfural hydrogenation under mild conditions (T=30 °C, PH2 =2 MPa), which means it performs among the best of current catalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Microstructural defects modeling in the Al-Mo system

    International Nuclear Information System (INIS)

    Pascuet, Maria I.; Fernandez, Julian R.; Monti, Ana M.

    2006-01-01

    In this work we have utilized computer simulation techniques to study microstructural defects, such as point defects and interfaces, in the Al-Mo alloy. Such alloy is taken as a model to study the Al(fcc)/U-Mo(bcc) interface. The EAM interatomic potential used has been fitted to the formation energy and lattice constant of the AlMo 3 intermetallic. Formation of vacancies for both components Al and Mo and anti-sites, Al Mo and Mo Al , as well as vacancy migration was studied in this structure. We found that the lowest energy defect complex that preserves stoichiometry is the antisite pair Al Mo +Mo Al , in correspondence with other intermetallics of the same structure. Our results also suggest that the structure of the Al(fcc)/Mo(bcc) interface is unstable, while that of the Al(fcc)/Al 5 Mo interface is stable, as observed experimentally. (author) [es

  12. Phase transformation in rapidly quenched Fe-Cr-Co-Mo-Ti-Si-B alloys

    Science.gov (United States)

    Zhukov, D. G.; Shubakov, V. S.; Zhukova, E. Kh; Gorshenkov, M. V.

    2018-03-01

    The research results of phase transformations in Fe-24Cr-16Co-3Mo-0.2Ti-1Si-B alloys (with a boron content of 1 to 3% by mass) obtained by rapid quenching are presented. The structure formation regularities during the melt spinning and during the subsequent crystallization annealing in rapidly quenched bands of the Fe-Cr-Co-Mo-Ti-Si-B system alloys were studied. The changes in the phase composition of the rapidly quenched Fe-Cr-Co-Mo-Ti- Si-B system alloys after quenching at various quench rates and at different boron concentrations in the alloys are studied. It is shown that during crystallization from an amorphous state, at temperatures above 570 °C, in addition to the α-phase, the σ-phase appears first, followed by the γ-phase. Heat treatment of rapidly quenched bands to high-coercive state was carried out. A qualitative assessment of magnetic properties in a high-coercivity state was carried out. An evaluation of the level of magnetic properties in a high-coercivity state allows us to conclude that the application of a magnetic field during crystallization from an amorphous state leads to anisotropy of the magnetic properties, that is, an anisotropic effect of thermo-magnetic treatment is detected.

  13. 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.

  14. 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 .

  15. Pulsed cathodoluminescence and Raman spectra of MoS{sub 2} and WS{sub 2} nanocrystals and their combination MoS{sub 2}/WS{sub 2} produced by self-propagating high-temperature synthesis

    Energy Technology Data Exchange (ETDEWEB)

    Bozheyev, Farabi, E-mail: farabi.bozheyev@gmail.com [Institute of High Technology Physics, National Research Tomsk Polytechnic University, 30 Lenin Ave., 634050 Tomsk (Russian Federation); National Nanolaboratory, al-Farabi Kazakh National University, 71 al-Farabi Ave., 050000 Almaty (Kazakhstan); Nazarbayev University Research and Innovation System, 53 Kabanbay Batyr St., 010000 Astana (Kazakhstan); Valiev, Damir [Institute of High Technology Physics, National Research Tomsk Polytechnic University, 30 Lenin Ave., 634050 Tomsk (Russian Federation); Nemkayeva, Renata [National Nanolaboratory, al-Farabi Kazakh National University, 71 al-Farabi Ave., 050000 Almaty (Kazakhstan)

    2016-02-29

    Molybdenum and tungsten disulfide nanoplates were produced by self-propagating high-temperature synthesis in argon atmosphere. This method provides an easy way to produce MoS{sub 2} and WS{sub 2} from nanoplates up to single- and several layers. The Raman peak intensities corresponding to in-plane E{sup 1}{sub 2g} and out-of-plane A{sub 1g} vibration modes and their shifts strongly depend on the thicknesses of the MoS{sub 2} and WS{sub 2} platelets indicating size-dependent scaling laws and properties. An electron beam irradiation of MoS{sub 2} and WS{sub 2} powders leads to an occurrence of pulsed cathodoluminescence (PCL) spectra at 575 nm (2.15 eV) and 550 nm (2.25 eV) characteristic to their intrinsic band gaps. For the combination of MoS{sub 2} and WS{sub 2} nanopowders, a PCL shoulder at 430 nm (2.88 eV) was observed, which is explained by the radiative electron-hole recombination at the MoS{sub 2}/WS{sub 2} grain boundaries. The luminescence decay kinetics of the MoS{sub 2}/WS{sub 2} nanoplates appears to be slower than for individual MoS{sub 2} and WS{sub 2} platelets due to a spatial separation of electrons and holes at MoS{sub 2}/WS{sub 2} junction resulting in extension of recombination time.

  16. Microstructure and tribological properties of NiMo/Mo2Ni3Si intermetallic 'in-situ' composites

    International Nuclear Information System (INIS)

    Gui Yongliang; Song Chunyan; Yang Li; Qin Xiaoling

    2011-01-01

    Research highlights: → Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites was fabricated successfully with Mo-Ni-Si powder blends as the starting materials. Microstructure of the NiMo/Mo 2 Ni 3 Si composites consists of Mo 2 Ni 3 Si primary dendrites, binary intermetallic phase NiMo and small amount of Ni/NiMo eutectics structure. The NiMo/Mo 2 Ni 3 Si composites exhibited high hardness and outstanding tribological properties under room-temperature dry-sliding wear test conditions which were attributed to the covalent-dominant strong atomic bonds and excellent combination of strength and ductility and toughness. - Abstract: Wear resistant NiMo/Mo 2 Ni 3 Si intermetallic 'in-situ' composites with a microstructure of ternary metal silicide Mo 2 Ni 3 Si primary dendritic, the long strip-like NiMo intermetallic phase, and a small amount of Ni/NiMo eutectics structure were designed and fabricated using molybdenum, nickel and silicon elemental powders. Friction and wear properties of NiMo/Mo 2 Ni 3 Si composites were evaluated under different contact load at room-temperature dry-sliding wear test conditions. Microstructure, worn surface morphologies and subsurface microstructure were characterized by OM, XRD, SEM and EDS. Results indicate that NiMo/Mo 2 Ni 3 Si composites have low fiction coefficient, excellent wear resistance and sluggish wear-load dependence. The dominant wear mechanisms of NiMo/Mo 2 Ni 3 Si composites are soft abrasion and slightly superficial oxidative wear.

  17. The 3 micron ice band

    International Nuclear Information System (INIS)

    Greenberg, J.M.; Bult, C.E.P.M. van de

    1984-01-01

    Ever since it was proposed that H 2 O could be a dominant constituent of interstellar grains, its detection, or lack thereof, has played a large role in theories of grains and their evolution. It now appears possible to provide a basic theoretical structure for the evolution of grains in molecular clouds based on current observational evidence and laboratory experiments on the ice band. Both band strengths and shapes can be reasonably predicted by grain models. (U.K.)

  18. Superdeformed bands in 130Ce

    International Nuclear Information System (INIS)

    Paul, E.S.; Semple, A.T.; Boston, A.J.; Joss, D.T.; Nolan, P.J.; Shepherd, S.L.

    1997-01-01

    Four superdeformed bands have been assigned to 130 Ce following a high-statistics γ-ray study using the EUROGAM II spectrometer. The strongest band exhibits two distinct backbends which, in one scenario, may be interpreted as crossings between high-j N = 6 neutron orbitals (νi 13/2 ) and low-j N = 4 orbitals (νd 3/2 ) in an unpaired system. (author)

  19. Dipole Bands in 196Hg

    International Nuclear Information System (INIS)

    Lawrie, J. J.; Lawrie, E. A.; Newman, R. T.; Sharpey-Schafer, J. F.; Smit, F. D.; Msezane, B.; Benatar, M.; Mabala, G. K.; Mutshena, K. P.; Federke, M.; Mullins, S. M.; Ncapayi, N. J.; Vymers, P.

    2011-01-01

    High spin states in 196 Hg have been populated in the 198 Pt(α,6n) reaction at 65 MeV and the level scheme has been extended. A new dipole band has been observed and a previously observed dipole has been confirmed. Excitation energies, spins and parities of these bands were determined from DCO ratio and linear polarization measurements. Possible quasiparticle excitations responsible for these structures are discussed.

  20. Impact of reduced graphene oxide on MoS{sub 2} grown by sulfurization of sputtered MoO{sub 3} and Mo precursor films

    Energy Technology Data Exchange (ETDEWEB)

    Pacley, Shanee, E-mail: shanee.pacley@us.af.mil; Brausch, Jacob; Beck-Millerton, Emory [U.S. Air Force Research Laboratory (AFRL)/Wright Patterson Air Force Base, Wright Patterson, Ohio 45433-7707 (United States); Hu, Jianjun; Jespersen, Michael [University of Dayton Research Institute, 300 College Park, Dayton, Ohio 45469 (United States); Hilton, Al [Wyle Laboratories, 4200 Colonel Glenn Hwy, Beavercreek, Ohio 45431 (United States); Waite, Adam [University Technology Corporation, 1270 N Fairfield Rd., Beavercreek, Ohio 45432 (United States); Voevodin, Andrey A. [Department of Materials Science and Engineering, University of North Texas, 1155 Union Circle, Denton, Texas 76203 (United States)

    2016-07-15

    Monolayer molybdenum disulfide (MoS{sub 2}), a two dimensional semiconducting dichalcogenide material with a bandgap of 1.8–1.9 eV, has demonstrated promise for future use in field effect transistors and optoelectronics. Various approaches have been used for MoS{sub 2} processing, the most common being chemical vapor deposition. During chemical vapor deposition, precursors such as Mo, MoO{sub 3}, and MoCl{sub 5} have been used to form a vapor reaction with sulfur, resulting in thin films of MoS{sub 2}. Currently, MoO{sub 3} ribbons and powder, and MoCl{sub 5} powder have been used. However, the use of ribbons and powder makes it difficult to grow large area-continuous films. Sputtering of Mo is an approach that has demonstrated continuous MoS{sub 2} film growth. In this paper, the authors compare the structural properties of MoS{sub 2} grown by sulfurization of pulse vapor deposited MoO{sub 3} and Mo precursor films. In addition, they have studied the effects that reduced graphene oxide (rGO) has on MoS{sub 2} structure. Reports show that rGO increases MoS{sub 2} grain growth during powder vaporization. Herein, the authors report a grain size increase for MoS{sub 2} when rGO was used during sulfurization of both sputtered Mo and MoO{sub 3} precursors. In addition, our transmission electron microscopy results show a more uniform and continuous film growth for the MoS{sub 2} films produced from Mo when compared to the films produced from MoO{sub 3}. Atomic force microscopy images further confirm this uniform and continuous film growth when Mo precursor was used. Finally, x-ray photoelectron spectroscopy results show that the MoS{sub 2} films produced using both precursors were stoichiometric and had about 7–8 layers in thickness, and that there was a slight improvement in stoichiometry when rGO was used.

  1. 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.

  2. Temperature dependence of scintillation properties of SrMoO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Mikhailik, V.B., E-mail: vmikhai@hotmail.com [Diamond Light Source, Harwell Science Campus, Didcot OX11 0DE (United Kingdom); Elyashevskyi, Yu. [Department of Physics, University of Oxford, Keble Rd., Oxford OX1 3RH (United Kingdom); Scientific-technical and Educational Centre of Low Temperature Studies, I. Franko National University of Lviv, 50 Dragomanova Str., 79005 Lviv (Ukraine); Kraus, H. [Department of Physics, University of Oxford, Keble Rd., Oxford OX1 3RH (United Kingdom); Kim, H.J. [Department of Physics of Kyungpook National University, 1370 Sangyeok-dong, Buk-gu, Daegu 702-701 (Korea, Republic of); Kapustianyk, V.; Panasyuk, M. [Scientific-technical and Educational Centre of Low Temperature Studies, I. Franko National University of Lviv, 50 Dragomanova Str., 79005 Lviv (Ukraine)

    2015-08-21

    Studies of the X-ray luminescence and scintillation properties of a SrMoO{sub 4} crystal as function of temperature down to T=10 K have been carried out. The luminescence in SrMoO{sub 4} is quenched at room temperature, but below T<200 K the crystal exhibits a broad emission band with a maximum at a wavelength of 520 nm. The emission is attributed to the radiative decay of self-trapped excitons and defects acting as traps for the exactions at low temperatures. Such complex character of radiative decay is reflected in the kinetics which contains several components plus a contribution from delayed recombination at low temperatures. The temperature dependence of scintillation light output of SrMoO{sub 4} was studied. Comparing with a reference ZnWO{sub 4} crystal measured under the same experimental conditions it was found that the light output of SrMoO{sub 4} is 15±5%. It is suggested, therefore, that there is scope for optimisation of strontium molybdate for application as scintillator in cryogenic rare event searches.

  3. 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.

  4. 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.

  5. Spectrophotometric and potentiometric studies of oxidation of Mo(III) by Mo(VI) in phosphoric acid medium

    International Nuclear Information System (INIS)

    Kumar, Arvind; Verma, G.S.P.

    1975-01-01

    Oxidation of Mo(III) (green) by Mo(VI) in an inert atmosphere and in orthophosphoric acid medium at various acid concentrations is reported. Potentiometric and spectrophotometric data suggest that oxidation of Mo(III) proceeds to Mo(V) through a binuclear species Mo(III) Mo(IV) absorbing at 400 nm. The formation of this species is facilitated at high acid concentrations. It is further found that quantitative conversion of Mo(III) into Mo(V) takes place at fairly high acid concentrations. In high phosphoric acid concentrations, solution of Mo(III) has been found to be oxidized to Mo(VI) by air and hence this can be used as a good oxygen absorber. (author)

  6. Spectrophotometric and potentiometric studies of oxidation of Mo(III) by Mo(VI) in phosphoric acid medium

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, A; Verma, G S.P. [Ranchi Coll. (India). Dept. of Chemistry

    1975-12-01

    Oxidation of Mo(III) (green) by Mo(VI) in an inert atmosphere and in orthophosphoric acid medium at various acid concentrations is reported. Potentiometric and spectrophotometric data suggest that oxidation of Mo(III) proceeds to Mo(V) through a binuclear species Mo(III) Mo(IV) absorbing at 400 nm. The formation of this species is facilitated at high acid concentrations. It is further found that quantitative conversion of Mo(III) into Mo(V) takes place at fairly high acid concentrations. In high phosphoric acid concentrations, solution of Mo(III) has been found to be oxidized to Mo(VI) by air and hence this can be used as a good oxygen absorber.

  7. Measurement of Mo-99 column activity in the evaluation of Mo-99/Tc-99m generator

    International Nuclear Information System (INIS)

    Kuster, Z.

    1994-01-01

    In order to calculate the real elution efficiency of Mo-99/Tc-99m generator the Mo-99 content on the column has to be previously determined. As found in this work, the external measurement of Mo-99-column activity by means of Geiger-Mueller counter is a simple, fast and reliable method. Generally, Mo-99-column is placed slightly out of the center of the generator; therefore the externally measured flux of photons (φ) is an angular-dependent function. If the thickness of the lead container is radially uniform, the flux measured at some distance from the generator (which is rotated in 2π/3 steps) is given by the equation φ = A (1 + Bcos (α-2π(i - 2)/3)) -1 , i=1,2 or 3 (Eq.1) where A is a numerical constant depending on the Mo-99-column activity, B is a numerical constant depending on the Mo-99- column position within the lead container, the angle α depends on the initial orientation of the generator. A total of 20 generator were studied. The measured Mo-99-column activities (Capintec dose calibrator) were in the range 13.1- 35.11 GBq. Contrary to the findings of Vinberg and Kristensen (Eur J Nucl Med 1/1976(219), values of A (Eq. 1) are in good correlation (r 2 =0.9794) with the measured Mo-99-column activities. (author)

  8. EXAFS study of Mo2N and Mo nitrides supported on zeolites

    International Nuclear Information System (INIS)

    Liu Zhenlin; Meng Ming; Fu Yilu; Jiang Ming; Hu Tiandou; Xie Yaning; Liu Tao

    2002-01-01

    In the present study, the reaction is applied to prepare molybdenum nitrides with high surface area, and zeolites are used as supports. The EXAFS of the Mo K-absorption edge is measured and the change of coordination environment of Mo atoms before and after the nitridation is revealed

  9. DFT study of the reactions of Mo and Mo with CO2 in gas phase

    Indian Academy of Sciences (India)

    understanding the mechanism of second-row metal reacting with CO2. The minimum energy ... et al.18 performed an IR study on the reaction of laser- ablated Mo atom .... indicate that the weak electrostatic interaction between. Mo. + and CO2 ...

  10. Cu4Pr6(MoO4)11-Pr2(MoO4)3 system

    International Nuclear Information System (INIS)

    Arzumanyan, G.A.

    1982-01-01

    Existence boundaries and Dalton compositions (CuPr(MoO 4 ) 2 , CuPr 3 (MoO 4 ) 5 ) of solid solutions that in the mojority are of shcheelite dsitored structure have been determined in the Cu 4 Pr 6 (MoO 4 ) 11 -Pr 2 (MoO 4 ) 3 system. It has been revealed that regions of homogeneity near the CuPr(MoO 4 ) 2 composition have a horseshoeshaped profile

  11. Free-polymer controlling morphology of α-MoO3 nanobelts by a facile hydrothermal synthesis, their electrochemistry for hydrogen evolution reactions and optical properties

    International Nuclear Information System (INIS)

    Sinaim, Hathai; Ham, Dong Jin; Lee, Jae Sung; Phuruangrat, Anukorn; Thongtem, Somchai; Thongtem, Titipun

    2012-01-01

    Highlights: ► MoO 3 nanobelts as an n-type semiconducting material. ► It was successfully synthesized by a facile hydrothermal reaction. ► A promising material with 3.75 eV band gap for hydrogen evolution reaction (HER). - Abstract: Orthorhombic molybdenum oxide (α-MoO 3 ) nanobelts were successfully synthesized by the 100–180 °C and 2–20 h hydrothermal reactions of (NH 4 ) 6 Mo 7 O 24 ·4H 2 O solutions containing 15 ml 2 M acid (HNO 3 , H 2 SO 4 or HCl) with no surfactant and template adding. These products were characterized by X-ray diffraction (XRD), Fourier transform infrared (FTIR) and Raman spectroscopy, and electron microscopy (EM). In the present research, the product synthesized by the 180 °C and 20 h hydrothermal reaction of the solution containing HNO 3 was α-MoO 3 nanobelts with >10 μm long and 3 nanobelts were characterized by linear sweep voltammetry (LSV) and Tafel plot, including UV–vis and photoluminescence (PL) spectroscopy. These imply that α-MoO 3 nanobelts show satisfied performance for HER, with the 3.75 eV direct allowed band gap (E g ) due to the charged transition of O 2p → Mo 4d , including the emission of 437 nm wavelength at room temperature.

  12. Enhanced photovoltaic performances of graphene/Si solar cells by insertion of a MoS₂ thin film.

    Science.gov (United States)

    Tsuboi, Yuka; Wang, Feijiu; Kozawa, Daichi; Funahashi, Kazuma; Mouri, Shinichiro; Miyauchi, Yuhei; Takenobu, Taishi; Matsuda, Kazunari

    2015-09-14

    Transition-metal dichalcogenides exhibit great potential as active materials in optoelectronic devices because of their characteristic band structure. Here, we demonstrated that the photovoltaic performances of graphene/Si Schottky junction solar cells were significantly improved by inserting a chemical vapor deposition (CVD)-grown, large MoS2 thin-film layer. This layer functions as an effective electron-blocking/hole-transporting layer. We also demonstrated that the photovoltaic properties are enhanced with the increasing number of graphene layers and the decreasing thickness of the MoS2 layer. A high photovoltaic conversion efficiency of 11.1% was achieved with the optimized trilayer-graphene/MoS2/n-Si solar cell.

  13. 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.

  14. 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.

  15. Oxygen partial pressure dependence of electrical conductivity in γ'-Bi2MoO6

    International Nuclear Information System (INIS)

    Vera, C.M.C.; Aragon, R.

    2008-01-01

    The electrical conductivity of γ'-Bi 2 MoO 6 was surveyed between 450 and 750 deg. C as a function of oxygen partial pressure, in the range 0.01-1 atm. A -1/6 power law dependence, consistent with a Frenkel defect model of doubly ionized oxygen vacancies and interstitials, is evidence for an n-type semiconductive component, with an optical band gap of 2.9 eV. The absence of this dependence is used to map the onset of dominant ionic conduction. - Graphical abstract: Temporal dependence of electrical conductivity at 500 deg. C for γ'-Bi 2 MoO 6 at controlled partial pressures of oxygen

  16. 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.

  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. Tuning the optoelectronic properties of amorphous MoOx films by reactive sputtering

    DEFF Research Database (Denmark)

    Fernandes Cauduro, André Luis; Fabrim, Zacarias Eduardo; Ahmadpour, Mehrad

    2015-01-01

    In this letter, we report on the effect of oxygen partial pressure and sputtering power on amorphous DC-sputtered MoOx films. We observe abrupt changes in the optoelectronic properties of the reported films by increasing the oxygen partial pressure from 1.00 ? 10?3 mbar to 1.37 ? 10?3 mbar during...... significantly the microstructure of the studied films. The presence of states within the band gap due to the lack of oxygen is the most probable mechanism for generat- ing a change in electrical conductivity as well as optical absorption in DC-sputtered MoOx. The large tuning range of the optoelectronic...... properties in these films holds strong promise for their implementation in optoelectronic devices....

  20. 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.

  1. The electronic and optical properties of CH3NH3MoI3 perovskite

    Science.gov (United States)

    Kansara, Shivam; Sonvane, Yogesh; Gupta, Sanjeev K.

    2018-05-01

    In this work, a first-principles theoretical study of hybrid perovskite CH3NH3MoI3 is performed using PBE exchange-correlation approximations in density functional theory. The results of electronic band structure are 0.90 eV (M-point: Direct) and 0.60 eV (R-X point: Indirect), respectively. We have also calculated the dielectric properties such as real, imaginary, extension coefficient (K) and reflectivity (R) properties of hybrid perovskite CH3NH3MoI3. The low-bandgap molecules are used to absorb near-IR range and typically having a bandgap smaller than 1.6 eV. This is particularly attractive in organic photovoltaics (OPV), photodetectors (PDs), and ambipolar field-effect transistors (FETs).

  2. First-principles investigation of the bulk and low-index surfaces of MoSe_2

    International Nuclear Information System (INIS)

    Mirhosseini, Hossein; Roma, Guido; Kiss, Janos; Felser, Claudia

    2014-01-01

    In the framework of density functional theory, the geometry, electronic structure, and magnetic properties of the bulk and low index surfaces of MoSe_2 have been studied. We have carried out calculations with various exchange-correlation functionals to select one which is able to describe the van der Waals (vdW) interactions and gives the best geometry compared with experiments. The inclusion of the vdW forces, however, does not guarantee a reliable description for the geometry of this compound: some vdW functionals strongly overestimate the interlayer distance, similar to GGA functionals. Our investigation shows that the recently introduced optB86bvdW functional yields the best results for MoSe_2. The vdW functionals have less impact on the electronic structure: the differences between the band structures of the experimental atomic structure, calculated by the vdW-DF and PBE functionals are marginal. We have tried the HSE06 hybrid functional as well but the results are not satisfactory: the overestimated interlayer distance leads to a significant overestimation of the band gap. The band structure of the bulk and monolayer is calculated and by the analysis of the bands character the indirect to direct band-gap transition is explained. The surface energy, work function and band structure of the surfaces are calculated as well. The role of the MoSe_2 buffer layer in Cu(In,Ga)Se_2 based solar cells is discussed by considering the work function values. (authors)

  3. Single-Band and Dual-Band Infrared Detectors

    Science.gov (United States)

    Ting, David Z. (Inventor); Gunapala, Sarath D. (Inventor); Soibel, Alexander (Inventor); Nguyen, Jean (Inventor); Khoshakhlagh, Arezou (Inventor)

    2017-01-01

    Bias-switchable dual-band infrared detectors and methods of manufacturing such detectors are provided. The infrared detectors are based on a back-to-back heterojunction diode design, where the detector structure consists of, sequentially, a top contact layer, a unipolar hole barrier layer, an absorber layer, a unipolar electron barrier, a second absorber, a second unipolar hole barrier, and a bottom contact layer. In addition, by substantially reducing the width of one of the absorber layers, a single-band infrared detector can also be formed.

  4. ITO-free flexible organic photovoltaics with multilayer MoO3/LiF/MoO3/Ag/MoO3 as the transparent electrode

    International Nuclear Information System (INIS)

    Chen, Shilin; Dai, Yunjie; Zhang, Hongmei; Zhao, Dewei

    2016-01-01

    We present efficient flexible organic photovoltaics (OPVs) with multiple layers of molybdenum oxide (MoO 3 )/LiF/MoO 3 /Ag/MoO 3 as the transparent electrode, where the thin Ag layer yields high conductivity and the dielectric layer MoO 3 /LiF/MoO 3 has high transparency due to optical interference, leading to improved power conversion efficiency compared with indium tin oxide (ITO) based devices. The MoO 3 contacting organic active layer is used as a buffer layer for good hole extraction. Thus, the multilayer MoO 3 /LiF/MoO 3 /Ag/MoO 3 can improve light transmittance and also facilitate charge carrier extraction. Such an electrode shows excellent mechanical bendability with a 9% reduction of efficiency after 1000 cycles of bending due to the ductile nature of the thin metal layer and dielectric layer used. Our results suggest that the MoO 3 /LiF/MoO 3 /Ag/MoO 3 multilayer electrode is a promising alternative to ITO as an electrode in OPVs. (paper)

  5. 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...

  6. Adhesives for fixed orthodontic bands.

    Science.gov (United States)

    Millett, Declan T; Glenny, Anne-Marie; Mattick, Rye Cr; Hickman, Joy; Mandall, Nicky A

    2016-10-25

    Orthodontic treatment involves using fixed or removable appliances (dental braces) to correct the positions of teeth. It has been shown that the quality of treatment result obtained with fixed appliances is much better than with removable appliances. Fixed appliances are, therefore, favoured by most orthodontists for treatment. The success of a fixed orthodontic appliance depends on the metal attachments (brackets and bands) being attached securely to the teeth so that they do not become loose during treatment. Brackets are usually attached to the front and side teeth, whereas bands (metal rings that go round the teeth) are more commonly used on the back teeth (molars). A number of adhesives are available to attach bands to teeth and it is important to understand which group of adhesives bond most reliably, as well as reducing or preventing dental decay during the treatment period. To evaluate the effectiveness of the adhesives used to attach bands to teeth during fixed appliance treatment, in terms of:(1) how often the bands come off during treatment; and(2) whether they protect the banded teeth against decay during fixed appliance treatment. The following electronic databases were searched: Cochrane Oral Health's Trials Register (searched 2 June 2016), Cochrane Central Register of Controlled Trials (CENTRAL; 2016, Issue 5) in the Cochrane Library (searched 2 June 2016), MEDLINE Ovid (1946 to 2 June 2016) and EMBASE Ovid (1980 to 2 June 2016). We searched ClinicalTrials.gov and the World Health Organization International Clinical Trials Registry Platform for ongoing trials. No restrictions were placed on the language or date of publication when searching the electronic databases. Randomised and controlled clinical trials (RCTs and CCTs) (including split-mouth studies) of adhesives used to attach orthodontic bands to molar teeth were selected. Patients with full arch fixed orthodontic appliance(s) who had bands attached to molars were included. All review authors

  7. Hydrothermal synthesis and luminescence of CaMO4:RE3+ (M=W, Mo; RE=Eu, Tb) submicro-phosphors

    International Nuclear Information System (INIS)

    Lei Fang; Yan Bing

    2008-01-01

    Submicrometer crystalline CaMO 4 :RE 3+ (M=W, Mo; RE=Eu, Tb) phosphors with a sheelite structure have been synthesized via the hydrothermal process, which were characterized by X-ray powder diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), X-ray-excited luminescence (XEL), UV-vis diffuse reflectance spectra (UV-vis DRS) and scanning electron microscopy (SEM), respectively. The XRD patterns show that both CaWO 4 and CaMoO 4 have the same structure with space group I41/a. The SEM images indicate that the optimal hydrothermal temperature is 120 deg. C for the particles that aggregate with the increase of temperature. The bands ranging from 380 to 510 nm in the XEL spectra of CaWO 4 :Eu 3+ can be attributed to the charge transfer state from the excited 2p orbits of O 2- to the empty orbits of the central W 6+ of the tungstate groups. The comparison between photoluminescent lifetimes and quantum efficiencies of the two phosphors was also investigated in detail. - Graphical abstract: Submicro-crystalline Eu 3+ -activated tungstate CaWO 4 :RE 3+ phosphors with a sheelite structure have been synthesized via the hydrothermal process; the morphology was determined from the hydrothermal temperature. Scanning electron microscopy (SEM) images show that CaWO 4 :Eu 3+ exhibits spherical particles, which can be controlled by the reaction parameters

  8. Room temperature isotherms for Mo and Ni

    International Nuclear Information System (INIS)

    Masse, J.L.

    1986-11-01

    Isotherms at room temperature for Mo and Ni are proposed. They are of three types: BIRCH, KEANE and BORN-MIE. The adjustable constants appearing in these isotherms have been determined from experimental quantities at zero pressure. An evaluation of the limit of (δB T /δP) T as P #-> # ∞, where B T is the isothermal bulk modulus, has been also used. These three isotherms obtained for Mo and Ni are compared with isotherms derived from shock-wave data according to the PRIETO's model. There is a good agreement between these and these derived from shock-wave data. The three isotherms proposed for Mo and Ni can be considered as valid until pressures of several B To , where B To is the bulk modulus B T at P = o [fr

  9. Wetting of metals and glasses on Mo

    Energy Technology Data Exchange (ETDEWEB)

    Saiz, Eduardo; Tomsia, Antoni P.; Saiz, Eduardo; Lopez-Esteban, Sonia; Benhassine, Mehdi; de Coninck, Joel; Rauch, Nicole; Ruehle, Manfred

    2008-01-08

    The wetting of low melting point metals and Si-Ca-Al-Ti-O glasses on molybdenum has been investigated. The selected metals (Au, Cu, Ag) form a simple eutectic with Mo. Metal spreading occurs under nonreactive conditions without interdiffusion or ridge formation. The metals exhibit low (non-zero) contact angles on Mo but this requires temperatures higher than 1100 C in reducing atmospheres in order to eliminate a layer of adsorbed impurities on the molybdenum surface. By controlling the oxygen activity in the furnace, glass spreading can take place under reactive or nonreactive conditions. We have found that in the glass/Mo system the contact angle does not decrease under reactive conditions. In all cases, adsorption from the liquid seems to accelerate the diffusivity on the free molybdenum surface.

  10. Stability of defects in monolayer MoS{sub 2} and their interaction with O{sub 2} molecule: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, B. [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China); Shang, C. [Wuhan National High Magnetic Field Center, Huazhong University of Science and Technology, Wuhan, 430074 (China); Qi, N. [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China); Chen, Z.Y. [School of Nuclear Technology and Chemistry & Biology, Hubei University of Science and Technology, Xianning, 437100 (China); Chen, Z.Q., E-mail: chenzq@whu.edu.cn [Hubei Nuclear Solid Physics Key Laboratory, Department of Physics, Wuhan University, Wuhan, 430072 (China)

    2017-08-01

    Highlights: • Defects can exist steadily in monolayer MoS{sub 2} and break surface chemical inertness. • Activated surfaces are beneficial to the adsorption of O{sub 2} through the introduction of defect levels. • Adsorbed O{sub 2} on defective surface can dissociate with low activation energy barrier. • Defective system may be a potential substrate to design MoS{sub 2}-based gas sensor or catalysts. - Abstract: The stability of various defects in monolayer MoS{sub 2}, as well as their interactions with free O{sub 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{sub S}) and external Mo atom can exist steadily in monolayer MoS{sub 2}, and introduce defect levels in these defective systems, which breaks the surface chemical inertness and significantly enhances the adsorption capacity for free O{sub 2}. The adsorption energy calculations and electronic properties analysis suggest that there is a strong interaction between O{sub 2} molecule and defective system. The adsorbed O{sub 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{sub 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{sub 2}-based gas sensor or catalysts.

  11. Vedinių su priesaga *-mo- raida

    Directory of Open Access Journals (Sweden)

    Saulius Ambrazas

    2011-12-01

    Full Text Available DEVELOPMENT OF DERIVATIVES WITH THE SUFFIX *-mo-SummaryAdjectives with the suffix *-mo- have been formed from substantives (cf. Lith. tólimas / tólymas and Latv. dial. tuôl’eims ‘distant’; Pruss. *auktimas ‘high’; Skr. agrimá- ‘the first, who is at the head’ and verbs (cf. Lith. dial. ãpsukmas ‘sewn round’, pliùkšmas ‘deflated, limp’; OLith. laimas ‘happy’ and Pruss. etnīstislaims (gnadenreich III 631; Lith. liñksmas and Latv. lìksms ‘merry, gay, joyfull’, Gmc. *werma- ‘warm’, Skr. bhīmá- ‘terrible, frightfull’, Toch. A, B cämpamo- ‘well-to-do, rich’, Hitt. kišamma- ‘combed’ from the Late Proto-Indo-European. The gratest part of them became participles in the Baltic, Slavic and Albanian languages.On the other hand, the use of derivatives with the suffix *-mo- in the position of abstract nouns is also very old, cf. semanticaly concretized and derivationaly indissoluble abstract noun, in herited from Proto-Indo-European, Lith. dmas (dmai, Latv. dũmi, Pruss. dumis (rauch E 39, Slav. *dymъ, Latv. fūmus, Skr. dhūmó- ‘smoke’ and Gk. θῡ‑μός with abstract meaning ‘soal, vitality, passion,    need’ : dhe-/dh-/dhū- ‘blow; breathe; choke; smoke; rush; disperse; whirl, move, stir’.In the East Baltic languages abstract nouns with the derived suffixes, based on *-mo-, became productive, cf. nomina actionis with *-i-mo- in Lithuanian (cf. gyvẽnimas ‘life’ and corresponding derivatives with *-u-mo- in Latvian (cf. ìeradums ‘custom, habit’.

  12. Tunable redox potential of nonmetal doped monolayer MoS{sub 2}: First principle calculations

    Energy Technology Data Exchange (ETDEWEB)

    Lu, S. [Center for Coordination Bond Engineering, China Jiliang University (China); Li, C., E-mail: canli1983@gmail.com [Center for Coordination Bond Engineering, China Jiliang University (China); School of Materials Science and Engineering, China Jiliang University (China); Zhao, Y.F.; Gong, Y.Y.; Niu, L.Y.; Liu, X.J. [Center for Coordination Bond Engineering, China Jiliang University (China)

    2016-10-30

    Graphical abstract: Both E{sub CBM} and E{sub VBM} values are affected by the chemical valences of dopants, which also affect the redox potentials of specimens. Compared to the pristine monolayer MoS{sub 2}, the nonmetal ions with odd chemical valences [monovalent (H{sup +}, F{sup –}, Cl{sup –}, Br{sup –} and I{sup –}), trivalent (N{sup 3–}, P{sup 3–} and As{sup 3–}) and pentavalence (B{sup 5–})] enhance the oxidation potential and reduce the reduction potential of specimens, but the nonmetal ions with even chemical valences [divalent (O{sup 2–}, Se{sup 2–} and Te{sup 2–}) and quadravalent (C{sup 4–} and Si{sup 4–})] have the opposite effects on the redox potentials. Display Omitted - Highlights: • The newly formed chemical bonds affect the electronic distribution around the dopants and the nearby Mo atoms. • Compared to pristine monolayer MoS{sub 2}, the nonmetal ions with odd (even) chemical valences enhance (reduce) the oxidation potential and reduce (enhance) the reduction potential of specimens. • The lone pair electrons in nonmetal ions with odd chemical valences extra interact with the Mo ions which reduces the E{sub CBM} and E{sub VBM} values of specimens. - Abstract: Doping is an effective method to alter the electronic behavior of materials by forming new chemical bonds and bringing bond relaxation. With this aid of first principle calculations, the crystal configuration and electronic properties of monolayer MoS{sub 2} have been modulated by the nonmetal (NM) dopants (H, B, C, N, O, F, Si, P, Cl, As, Se, Br, Te and I), and the thermodynamic stability depending on the preparation conditions (Mo-rich and S-rich conditions) were discussed. Results shown that, the NM dopants substituted preferentially for S under Mo-rich condition, the electronic distribution around the dopants and the nearby Mo atoms are changed by the new formed Mo-NM bonds and bands relaxation. Compared to pristine monolayer MoS{sub 2}, the NM ions with odd

  13. Elevated Temperature Tensile Tests on DU–10Mo Rolled Foils

    Energy Technology Data Exchange (ETDEWEB)

    Schulthess, Jason [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2014-09-01

    Tensile mechanical properties for uranium-10 wt.% molybdenum (U–10Mo) foils are required to support modeling and qualification of new monolithic fuel plate designs. It is expected that depleted uranium-10 wt% Mo (DU–10Mo) mechanical behavior is representative of the low enriched U–10Mo to be used in the actual fuel plates, therefore DU-10Mo was studied to simplify material processing, handling, and testing requirements. In this report, tensile testing of DU-10Mo fuel foils prepared using four different thermomechanical processing treatments were conducted to assess the impact of foil fabrication history on resultant tensile properties.

  14. Structural, electronic and adsorption properties of Rh(111)/Mo(110) bimetallic catalyst: A DFT study

    Energy Technology Data Exchange (ETDEWEB)

    Palotás, K., E-mail: palotas@phy.bme.hu [Budapest University of Technology and Economics, Department of Theoretical Physics, H-1111 Budapest (Hungary); Slovak Academy of Sciences, Institute of Physics, Department of Complex Physical Systems, Center for Computational Materials Science, SK-84511 Bratislava (Slovakia); Bakó, I. [Hungarian Academy of Sciences, Research Center for Natural Sciences, Institute of Organic Chemistry, H-1117 Budapest (Hungary); Bugyi, L. [MTA-SZTE, Reaction Kinetics and Surface Chemistry Research Group, Rerrich B. Sqr. 1, H-6720 Szeged (Hungary)

    2016-12-15

    Highlights: • 1 ML of Rh on Mo(110) forms a wavy structure propagating along the [001] direction. • Strain & ligand effects in the Rh film cause a downward shift of the d-band center. • CO adsorption energies are decreased by about 35% compared to pure Rh(111). • Depending on adsorption site, 0.28–0.46 e is transferred to adsorbed CO from Rh film. • CO adsorption generates 0.15–0.22 e transfer from Rh film to Mo in the unit cell. - Abstract: Geometric and electronic characterizations of one monolayer rhodium with Nishiyama-Wassermann (NW) structure on Mo(110) substrate have been performed by density functional theory (DFT) calculations. In the NW structure the Rh atoms form a wavy structure propagating along the [001] direction, characterized by an amplitude of 0.26 Å in the [110] direction and by 0.10 Å in the [110] direction of the Mo(110) substrate. Strain and ligand effects operating in the rhodium film are distinguished and found to be manifested in the downward shift of the d-band center of the electron density of states (DOS) by 0.11 eV and 0.18 eV, respectively. The shift in the d-band center of Rh DOS predicts a decrease in the surface reactivity toward CO adsorption, which has been verified by detailed calculations of bond energies of CO located at on-top, bridge and hollow adsorption sites. The CO adsorption energies are decreased by about 35% compared to those reported for pure Rh(111), offering novel catalytic pathways for the molecule. An in-depth analysis of the charge transfer and the partial DOS characters upon CO adsorption on the NW-structured Rh(111)/Mo(110) bimetallic catalyst and on the pure Rh(111) surface sheds light on the bonding mechanism of CO and on the governing factors determining its lowered bond energy on the bimetallic surface.

  15. Fe-Mo double perovskite: From small clusters to bulk material

    Energy Technology Data Exchange (ETDEWEB)

    Carvajal, E., E-mail: ecarvajalq@ipn.mx [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, C.P. 04430 Mexico, D.F. (Mexico); Oviedo-Roa, R. [Programa de Investigacion en Ingenieria Molecular, Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas Norte 152, 07730 Mexico, D.F. (Mexico); Cruz-Irisson, M. [Instituto Politecnico Nacional, ESIME-Culhuacan, Av. Santa Ana 1000, C.P. 04430 Mexico, D.F. (Mexico); Navarro, O. [Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, A.P. 70-360, 04510 Mexico, D.F. (Mexico)

    2012-09-20

    To understand the differences in behaviour between up- and down-spin electrons observed in the half-metallic Sr{sub 2}FeMoO{sub 6} double perovskite, the density of states (DOS) was studied for the (FeO{sub 6}){sup -4} and (MoO{sub 6}){sup -6} octahedral clusters using first-principles density functional theory within the generalised gradient approximation (GGA) scheme and the Perdew-Burke-Ernzerhof (PBE) functional. Our results reveal that half-metallic character is present, even starting from an isolated (FeO{sub 6}){sup -4} cluster, and is a consequence of spin decoupling of antibonding hybridisations between iron t{sub 2g} states and oxygen p states (t{sub 2g}{sup a} states), i.e., t{sub 2g}{sup a} states lie below the Highest Occupied Molecular Orbital (HOMO) in the up-spin channel, whereas they lie above the HOMO level in the down-spin channel. The spin-induced shifting between up-spin and down-spin DOS situates the HOMO in such a way that the molecular orbitals oxygen p states (p bands) are fully spin-paired by octet electrons. Thus, the down-spin channel has metallic character because the HOMO lies just at the p bands, and the up-spin channel is semiconducting because the HOMO falls within the energy gap between the t{sub 2g}{sup a} and e{sub g}{sup a} bands. Finally, the (MoO{sub 6}){sup -6} octahedron does not inhibit the perovskite half-metallic character since this cluster has a zero total spin.

  16. Generation of MoS{sub 2} quantum dots by laser ablation of MoS{sub 2} particles in suspension and their photocatalytic activity for H{sub 2} generation

    Energy Technology Data Exchange (ETDEWEB)

    Baldoví, Herme G.; Latorre-Sánchez, Marcos; Esteve-Adell, Iván [Universitat Politècnica de València, Instituto Universitario de Tecnología Química CSIC-UPV and Departamento de Química (Spain); Khan, Anish; Asiri, Abdullah M. [King Abdulaziz University, Center of Excellence for Advanced Materials Research (Saudi Arabia); Kosa, Samia A. [King Abdulaziz University, Chemistry Department, Faculty of Science (Saudi Arabia); Garcia, Hermenegildo, E-mail: hgarcia@qim.upv.es [Universitat Politècnica de València, Instituto Universitario de Tecnología Química CSIC-UPV and Departamento de Química (Spain)

    2016-08-15

    MoS{sub 2} quantum dots (QDs) have been obtained in colloidal suspensions by 532 nm laser ablation (7 ns fwhp/pulse, 50 mJ/pulse) of commercial MoS{sub 2} particles in acetonitrile. High-resolution transmission electron microscopy images show a lateral size distribution from 5 to 20 nm, but a more homogeneous particle size of 20 nm can be obtained by silica gel chromatography purification in acetonitrile. MoS{sub 2} QDs obtained by laser ablation are constituted by 3–6 MoS{sub 2} layers (1.8–4 nm thickness) and exhibit photoluminescence whose λ{sub PL} varies from 430 to 530 nm depending on the excitation wavelength. As predicted by theory, the confinement effect and the larger periphery in MoS{sub 2} QDs increasing the bandgap and having catalytically active edges are reflected in an enhancement of the photocatalytic activity for H{sub 2} generation upon UV–Vis irradiation using CH{sub 3}OH as sacrificial electron donor due to the increase in the reduction potential of conduction band electrons and the electron transfer kinetics.

  17. The modulation of Schottky barriers of metal-MoS2 contacts via BN-MoS2 heterostructures.

    Science.gov (United States)

    Su, Jie; Feng, Liping; Zhang, Yan; Liu, Zhengtang

    2016-06-22

    Using first-principles calculations within density functional theory, we systematically studied the effect of BN-MoS2 heterostructure on the Schottky barriers of metal-MoS2 contacts. Two types of FETs are designed according to the area of the BN-MoS2 heterostructure. Results show that the vertical and lateral Schottky barriers in all the studied contacts, irrespective of the work function of the metal, are significantly reduced or even vanish when the BN-MoS2 heterostructure substitutes the monolayer MoS2. Only the n-type lateral Schottky barrier of Au/BN-MoS2 contact relates to the area of the BN-MoS2 heterostructure. Notably, the Pt-MoS2 contact with n-type character is transformed into a p-type contact upon substituting the monolayer MoS2 by a BN-MoS2 heterostructure. These changes of the contact natures are ascribed to the variation of Fermi level pinning, work function and charge distribution. Analysis demonstrates that the Fermi level pinning effects are significantly weakened for metal/BN-MoS2 contacts because no gap states dominated by MoS2 are formed, in contrast to those of metal-MoS2 contacts. Although additional BN layers reduce the interlayer interaction and the work function of the metal, the Schottky barriers of metal/BN-MoS2 contacts still do not obey the Schottky-Mott rule. Moreover, different from metal-MoS2 contacts, the charges transfer from electrodes to the monolayer MoS2, resulting in an increment of the work function of these metals in metal/BN-MoS2 contacts. These findings may prove to be instrumental in the future design of new MoS2-based FETs with ohmic contact or p-type character.

  18. Enhanced photocatalytic activity of ZnS nanoparticles loaded with MoS{sub 2} nanoflakes by self-assembly approach

    Energy Technology Data Exchange (ETDEWEB)

    Vattikuti, S.V. Prabhakar, E-mail: vsvprabu@gmail.com; Byon, Chan, E-mail: cbyon@ynu.ac.kr; Jeon, Sora

    2016-12-01

    A hybrid consisting of ZnS nanoparticles supported on layered MoS{sub 2}−ZnS was synthesized by a hydrothermal method based on self-assembly technique without using a template. XRD, SEM-EDX, TEM, HR-TEM, TG-DTA, XPS, N{sub 2} adsorption-desorption, and UV–Vis spectroscopies were used to characterize the structural features, morphology, and composition of the MoS{sub 2}–ZnS hybrid. The results show that the MoS{sub 2}–ZnS hybrid is mainly ZnS nanoparticles on layered MoS{sub 2} with a thickness of ca. 5–20 nm. The combination of the MoS{sub 2} and ZnS hybrid structure is beneficial for enhancing the photocatalytic degradation of rhodamine B (RhB) under visible light irradiation. A possible photoreaction mechanism of the MoS{sub 2}–ZnS hybrid in the degradation is proposed. The photoexcited electrons from the ZnS could easily transfer to the conduction band of MoS{sub 2}, thus decreasing the recombination of photoinduced carriers and enabling the degradation of RhB under visible light irradiation.

  19. Study of structure of the TiO{sub 2}–MoO{sub 3} bilayer films by Raman spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Elias de Barros; Sigoli, Fernando Aparecido; Mazali, Italo Odone, E-mail: mazali@iqm.unicamp.br

    2014-12-15

    Highlights: • TiO{sub 2}–MoO{sub 3} bilayer thin films were easily prepared by dip-coating technique. • Ti and Mo metallo-organic compounds were used as source of its respective oxide. • TiO{sub 2} in anatase phase and orthorhombic phase of α-MoO{sub 3} were identified. • The bilayer structure was investigated by Raman spectroscopy. - Abstract: In this work, TiO{sub 2}–MoO{sub 3} films were easily prepared by dip-coating technique and metallo-organic decomposition process (MOD). Raman analyses indicate the formation of TiO{sub 2} in anatase phase and orthorhombic phase of α-MoO{sub 3}. It was observed that the Raman bands intensities attributed to TiO{sub 2} and MoO{sub 3} oxides were dependent on the number of decomposition–deposition cycles (DDC). The different number of DDC generates films with different thicknesses and the Raman signal was sensitive to this variation. Raman analyses provided qualitative information about the bilayer structure of the bi-component TiO{sub 2}–MoO{sub 3} films, which was confirmed by scanning electron microscopy. In this direction, the dip-coating technique and MOD process can be an efficient strategy to facile preparation of many samples to be used in applications.

  20. The effects of minor alloy modifications and heat treatment on the microstructure and creep rupture behavior of 2.25Cr-1Mo Steel

    International Nuclear Information System (INIS)

    Todd, J.A.; Chung, D.W.; Parker, E.R.

    1983-01-01

    The effects of alloy additions on the microstructure of simulated cooled and tempered 2.25Cr-1Mo steels have been studied using transmission electron microscopy. Carbide precipitation sequences have been identified in the modification 3Cr-1Mo-1Mn-1Ni and compared to those in 2.25Cr-1Mo steels modified with Mn and Ni and also with Ti, V and B. The influence of minor compositional changes on the creep rupture behavior of 2.25Cr-1Mo steel has been studied at 500 C, 560 C, and 600 C. The most significant effect of alloy modifications on creep properties resulted from additions of Mn and Cr. Preliminary studies show that 1% Mn and 0.5Mn + 1Ni + 0.75Cr additions significantly reduce creep strength at all three temperatures for tests up to 2000 hours duration. The 3Cr-1Mo-1Mn-1Ni steel showed improvements in rupture ductility at all temperatures when compared with the base 2.25Cr-1Mo steel and the manganese-nickel modifications. Plots of the Larson-Miller parameter for both these modifications lay within the scatter band for commercial 2.25Cr-1Mo steels

  1. Phase relations in the M2MoO4 - Ag2MoO4 - Hf(MoO4)2 (M=Li, Na) systems

    International Nuclear Information System (INIS)

    Bazarova, Zh.G.; Bazarov, B.G.; Balsanova, L.V.

    2002-01-01

    The M 2 MoO 4 - Ag 2 MoO 4 - Hf(MoO 4 ) 2 (M=Li, Na) systems were studied by X-ray diffraction and differential thermal analyses in the subsolidus area (450 - 500 Deg C) for the first time. The formation of the binary compound with the variable composition Li 4-x Hf 1+0.2x (MoO 4 ) 4 (0 ≤ x ≤ 0.6) in the Li 2 MoO 4 - Hf(MoO 4 ) 2 system and the ternary molybdates Li 4 Ag 2 Hf(MoO 4 ) 5 (S 1 ) and Na 2 Ag 2 Hf(MoO 4 ) 4 (S 2 ) was established and the thermal characteristics of the prepared compounds were examined. The new binary molybdate Ag 2 Hf(MoO 4 ) 3 was prepared by the reaction between Ag 2 MoO 4 and Hf(MoO 4 ) 2 [ru

  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. 47 CFR 90.531 - Band plan.

    Science.gov (United States)

    2010-10-01

    ... 47 Telecommunication 5 2010-10-01 2010-10-01 false Band plan. 90.531 Section 90.531...-805 MHz Bands § 90.531 Band plan. This section sets forth the band plan for the 763-775 MHz and 793... and portables subject to Commission-approved regional planning committee regional plans. Transmitter...

  4. Metaphyseal bands in osteogenesis imperfecta

    Directory of Open Access Journals (Sweden)

    Suresh S

    2010-01-01

    Full Text Available An increasing number of patients with osteogenesis imperfecta are undergoing pamidronate therapy to prevent the incidence of fragility fractures. The authors herein report a child aged 3 years who received five cycles of pamidronate, resulting in metaphyseal bands, known as "zebra lines."

  5. Metaphyseal bands in osteogenesis imperfecta

    International Nuclear Information System (INIS)

    Suresh, SS; Thomas, John K

    2010-01-01

    An increasing number of patients with osteogenesis imperfecta are undergoing pamidronate therapy to prevent the incidence of fragility fractures. The authors herein report a child aged 3 years who received five cycles of pamidronate, resulting in metaphyseal bands, known as “zebra lines.”

  6. 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.

  7. Photo- and Electrochromic Properties of Activated Reactive Evaporated MoO3 Thin Films Grown on Flexible Substrates

    Directory of Open Access Journals (Sweden)

    K. Hari Krishna

    2008-01-01

    Full Text Available The molybdenum trioxide (MoO3 thin films were grown onto ITO-coated flexible Kapton substrates using plasma assisted activated reactive evaporation technique. The film depositions were carried out at constant glow power and oxygen partial pressures of 8 W and 1×10−3 Torr, respectively. The influence of substrate temperature on the microstructural and optical properties was investigated. The MoO3 thin films prepared at a substrate temperature of 523 K were found to be composed of uniformly distributed nanosized grains with an orthorhombic structure of α-MoO3. These nanocrystalline MoO3 thin films exhibited higher optical transmittance of about 80% in the visible region with an evaluated optical band gap of 3.29 eV. With the insertion of 12.5 mC/cm2, the films exhibited an optical modulation of 40% in the visible region with coloration efficiency of 22 cm2/C at the wavelength of 550 nm. The MoO3 films deposited at 523 K demonstrated better photochromic properties and showed highest color center concentration for the irradiation time of 30 minutes at 100 mW/cm2.

  8. NaGd(MoO4)2 nanocrystals with diverse morphologies: controlled synthesis, growth mechanism, photoluminescence and thermometric properties.

    Science.gov (United States)

    Li, Anming; Xu, Dekang; Lin, Hao; Yang, Shenghong; Shao, Yuanzhi; Zhang, Yueli

    2016-08-10

    Pure tetragonal phase, uniform and well-crystallized sodium gadolinium molybdate (NaGd(MoO4)2) nanocrystals with diverse morphologies, e.g. nanocylinders, nanocubes and square nanoplates have been selectively synthesized via oleic acid-mediated hydrothermal method. The phase, structure, morphology and composition of the as-synthesized products are studied. Contents of both sodium molybdate and oleic acid of the precursor solutions are found to affect the morphologies of the products significantly, and oleic acid plays a key role in the morphology-controlled synthesis of NaGd(MoO4)2 nanocrystals with diverse morphologies. Growth mechanism of NaGd(MoO4)2 nanocrystals is proposed based on time-dependent morphology evolution and X-ray diffraction analysis. Morphology-dependent down-shifting photoluminescence properties of NaGd(MoO4)2: Eu(3+) nanocrystals, and upconversion photoluminescence properties of NaGd(MoO4)2: Yb(3+)/Er(3+) and Yb(3+)/Tm(3+) nanoplates are investigated in detail. Charge transfer band in the down-shifting excitation spectra shows a slight blue-shift, and the luminescence intensities and lifetimes of Eu(3+) are decreased gradually with the morphology of the nanocrystals varying from nanocubes to thin square nanoplates. Upconversion energy transfer mechanisms of NaGd(MoO4)2: Yb(3+)/Er(3+), Yb(3+)/Tm(3+) nanoplates are proposed based on the energy level scheme and power dependence of upconversion emissions. Thermometric properties of NaGd(MoO4)2: Yb(3+)/Er(3+) nanoplates are investigated, and the maximum sensitivity is determined to be 0.01333 K(-1) at 285 K.

  9. Teens join the MoEDAL collaboration

    CERN Multimedia

    Stephanie Hills

    2013-01-01

    The principal investigator for any institute joining an experimental collaboration is generally a self-assured researcher with evident leadership skills and an in-depth knowledge of their subject gained over many years. Katherine Evans fits the brief in every respect, except that she is 17 years old and her research institute is the Langton Star Centre, based at the Simon Langton Grammar School for Boys. The school has just joined the MoEDAL experiment.   Teacher Becky Parker (left) with two students from the Simon Langton Grammar School for Boys in the MoEDAL experimental area. MoEDAL, the latest LHC experiment has detectors located close to the interaction point of the LHCb experiment. This new experiment is designed to search for the highly ionizing avatars of new physics at the LHC, specifically the magnetic monopole or dyon and other highly ionizing stable massive particles from a number of beyond-the-Standard-Model scenarios. MoEDAL was approved in 2010 and is due to start taking data i...

  10. Ventilation system for 99Mo production apparatus

    International Nuclear Information System (INIS)

    Izumo, Mishiroku; Okane, Shougo; Sorita, Takami; Aoyama, Saburou

    1978-04-01

    In production of 20 Ci 99 Mo from 235 U fission, about 120 Ci of radioiodine ( 131 I, 132 I, and 133 I) is involved. To remove airborne radioiodine from the exhaust air from production apparatus and minimize radioiodine release to the atmosphere, the ventilation system is equipped with 2 units of Model-FD charcoal filter (KI 3 -Impregnated charcoal 2 inch thick of Barnebey-Cheney Co.). From September 1976 to December 1977, 21 runs of 99 Mo production involving airborne radioiodine were carried out. The ventilation system was operated continuously for the whole 15 months period; variation in removal efficiency of airborne radioiodine from the exhaust air stream was observed. In the runs valuable experiences were gained in operation and maintenance of the ventilation system including activated charcoal filter and health-physics management of such facility. Following are the results: (1) Airborne radioiodine from 99 Mo production apparatus is reduced to 10 -3 % of the original quantity. (2) When the ventilation system is operated at a maximum air flow rate through the filter, the average efficiency during 15 months is over 98%. (3) Airborne radioiodine released from 99 Mo production apparatus to the ventilation system is less than 5% particulate iodine and alkyl iodines and more than 95% inorganic iodine. (4) Airborne radioiodine released from the stack is less than 28 μCi/run, which is below the limit in regulations on Radioisotope Production Laboratory. (auth.)

  11. Analysis of MoDOT communication and outreach effectiveness

    Science.gov (United States)

    2008-07-01

    Personal interviews were held with MoDOT personnel to assess MoDOTs current communication practices and existing customer segmentation practices. Focus groups were then held to help gauge the effectiveness of existing communication practices and t...

  12. Fixation Of Mo In Uranium Leach Liquor By Activated Carbon

    International Nuclear Information System (INIS)

    Mainar, S.; Guswita, A.; Erni, R.A.; Susilaningtyas

    1996-01-01

    The use of activated carbon for Mo fixation by bulk system is reported. Several factors influencing the fixation process were examined, including contact time, carbon particle size, carbon porosity and the effect of other elements present in Mo containing solutions. Experimental data showed that an adsorption equilibrium of Mo on of activated carbon and 0,85 to 1,18 mm of carbon particle size under forced-convection mass transfer in 100 ml solution that contains + 0,56 m mol of Mo and +. 0,25 m mol Of U was reached after 6 hours period. Under those conditions, about 0,50 m mol of Mo and 0,026 m mol of U were adsorbed into carbon. High concentration of rare earth elements decreased Mo adsorption, hence, the use of activated carbon was not effective to separate Mo from the digestion liquor of Rirang are where Mo was adsorbed, into the carbon + 34,5 %

  13. X-ray fluorescence analysis of Fe - Ni - Mo systems

    International Nuclear Information System (INIS)

    Belyaev, E.E.; Ershov, A.V.; Mashin, A.I.; Mashin, N.I.; Rudnevskij, N.K.

    1998-01-01

    Procedures for the X-ray fluorescence determination of the composition and thickness of Fe - Ni - Mo thin films and the concentration of elements in thick films of the Fe - Ni - Mo alloy are developed [ru

  14. Interdiffusion between U(Mo,Pt) or U(Mo,Zr) and Al or Al A356 alloy

    International Nuclear Information System (INIS)

    Komar Varela, C.; Mirandou, M.; Arico, S.; Balart, S.; Gribaudo, L.

    2009-01-01

    Solid state reactions in chemical diffusion couples U-7 wt.%Mo-0.9 wt.%Pt/Al at 580 deg. C and U-7 wt.%Mo-0.9 wt.%Pt/Al A356 alloy, U-7 wt.%Mo-1 wt.%Zr/Al and U-7 wt.%Mo-1 wt.%Zr/Al A356 alloy at 550 deg. C were characterized. Results were obtained from optical and scanning electron microscopy, electron probe microanalysis and X-ray diffraction. The UAl 3, UAl 4 and Al 20 Mo 2 U phases were identified in the interaction layers of γU(Mo,Pt)/Al and γU(Mo,Zr)/Al diffusion couples. Al 43 Mo 4 U 6 ternary compound was also identified in γU(Mo,Zr)/Al due to the decomposition of γU(Mo,Zr) phase. The U(Al,Si) 3 and U 3 Si 5 phases were identified in the interaction layers of γU(Mo,Pt)/Al A356 and γU(Mo,Zr)/Al A356 diffusion couples. These phases are formed due to the migration of Si to the interaction layer. In the diffusion couple U(Mo,Zr)/Al A356, Zr 5 Al 3 phase was also identified in the interaction layer. The use of synchrotron radiation at Brazilian Synchrotron Light Laboratory (LNLS, CNPq, Campinas, Brazil) was necessary to achieve a complete crystallographic characterization.

  15. 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.

  16. Effect of Mo/B atomic ratio on the properties of Mo2NiB2-based cermets

    International Nuclear Information System (INIS)

    Xie, Lang; Li, XiaoBo; Zhang, Dan; Yi, Li; Gao, XiaoQing; Xiangtan Univ.

    2015-01-01

    Using three elementary substances, Mo, Ni, and amorphous B as raw materials, four series of Mo 2 NiB 2 -based cermets with the Mo/B atomic ratio ranging from 0.9 to 1.2 were successfully prepared via reaction sintering. The effect of Mo/B atomic ratio on the microstructure and properties was studied for the cermets. The results indicate that there is a strong correlation between the Mo/B atomic ratio and properties. The transverse rupture strength of the cermets increases with an increase in Mo/B ratio and shows a maximum value of 1 872 MPa at an Mo/B atomic ratio of 1.1 and then decreases with increasing Mo/B atomic ratio. The hardness and the corrosion resistance of the cermets increase monotonically with an increase in Mo/B atomic ratio. In Mo-rich cermets with an atomic ratio of Mo/B above 1.1, a small amount Ni-Mo intermetallic compound is found precipitated at the interface of Mo 2 NiB 2 grains.

  17. Synthesis, crystal and electronic structures, and magnetic properties of LiLn{sub 9}Mo{sub 16}O{sub 35} (Ln=La, Ce, Pr, and Nd) compounds containing the original cluster Mo{sub 16}O{sub 36}

    Energy Technology Data Exchange (ETDEWEB)

    Gougeon, Patrick; Gall, Philippe [UMR CNRS 6226 - ' ' Sciences Chimiques de Rennes' ' , Universite de Rennes 1 - INSA (France); Cuny, Jerome; Gautier, Regis; Le Polles, Laurent [UMR CNRS 6226 - ' ' Sciences Chimiques de Rennes' ' , Ecole Nationale Superieure de Chimie de Rennes (France); Delevoye, Laurent; Trebosc, Julien [UMR CNRS 8181 - UCCS, ENSCL, Universite Lille Nord de France, Villeneuve d' Ascq (France)

    2011-12-02

    The new compounds LiLn{sub 9}Mo{sub 16}O{sub 35} (Ln=La, Ce, Pr, and Nd) were synthesized from stoichiometric mixtures of Li{sub 2}MoO{sub 4}, Ln{sub 2}O{sub 3}, Pr{sub 6}O{sub 11} or CeO{sub 2}, MoO{sub 3}, and Mo heated at 1600 C for 48 h in a molybdenum crucible sealed under a low argon pressure. The crystal structure, determined from a single crystal of the Nd member, showed that the main building block is the Mo{sub 16}O{sub 36} unit, the Mo{sub 16} core of which is totally new and results from the fusion of two bioctahedral Mo{sub 10} clusters. It can also be viewed as a fragment of an infinite twin chain of edge-sharing Mo{sub 6} octahedra. The Mo{sub 16}O{sub 36} cluster units share some oxygen atoms to form infinite chains running parallel to the b axis, which are separated by the rare-earth and lithium cations. {sup 7}Li-NMR experiments, carried out at high field on the nonmagnetic LiLa{sub 9}Mo{sub 16}O{sub 35}, provided insights into the local environment of the lithium ions. Magnetic susceptibility measurements confirmed the trivalent oxidation state of the magnetic rare-earth cations and indicated the absence of localized moments on the Mo{sub 16} clusters. The electronic structure of the LiLn{sub 9}Mo{sub 16}O{sub 35} compounds was analyzed using molecular and periodic quantum calculations. The study of the molecular orbital diagrams of isolated Mo{sub 16}O{sub 36} models allowed the understanding of this unique metallic architecture. Periodic density functional theory calculations demonstrated that few interactions occur between the Mo{sub 16} clusters, and predicted semiconducting properties for LiLn{sub 9}Mo{sub 16}O{sub 35} as a band gap of 0.57 eV was computed for the lanthanum phase. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Phase transitions in alloys of the Ni-Mo system

    International Nuclear Information System (INIS)

    Ustinovshikov, Y.; Shabanova, I.

    2011-01-01

    Graphical abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys was studied by methods of TEM and XPS. It is shown that at high temperatures the tendency toward phase separation takes place in the alloys and crystalline bcc Mo particles precipitate in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the dissolution of Mo particles and precipitation of the particles of Ni 3 Mo, Ni 2 Mo or Ni 4 Mo chemical compounds. Highlights: → 'Chemical' phase transition 'ordering-phase separation' is first discovered in alloys of the Ni-Mo system. → It is first shown that the phase separation in the alloys studied begins at temperatures above the liquidus one. → The formation of Ni 3 Mo from A1 has gone through the intervening stage of the Ni 4 Mo and Ni 2 Mo coexistence. - Abstract: The structure of Ni-20 at.% Mo and Ni-25 at.% Mo alloys heat treated at different temperatures was studied by the method of transmission electron microscopy. X-ray photoelectron spectroscopy was used to detect the sign of the chemical interaction between Ni and Mo atoms at different temperatures. It is shown that at high temperatures the tendency toward phase separation takes place. The system of additional reflections at positions {1 1/2 0} on the electron diffraction patterns testifies that the precipitation of crystalline bcc Mo particles begins in the liquid solution. At 900 deg. C and below, the tendency toward ordering leads to the precipitation of the particles of the chemical compounds. A body-centered tetragonal phase Ni 4 Mo (D1 a ) is formed in the Ni-20 at.% Mo alloy. In the Ni-25 at.% Mo alloy, the formation of the Ni 3 Mo (D0 22 ) chemical compound from the A1 solid solution has gone through the intervening stage of the Ni 4 Mo (D1 a ) and Ni 2 Mo (Pt 2 Mo) formation.

  19. Interstitial Mo-Assisted Photovoltaic Effect in Multilayer MoSe2 Phototransistors.

    Science.gov (United States)

    Kim, Sunkook; Maassen, Jesse; Lee, Jiyoul; Kim, Seung Min; Han, Gyuchull; Kwon, Junyeon; Hong, Seongin; Park, Jozeph; Liu, Na; Park, Yun Chang; Omkaram, Inturu; Rhyee, Jong-Soo; Hong, Young Ki; Yoon, Youngki

    2018-03-01

    Thin-film transistors (TFTs) based on multilayer molybdenum diselenide (MoSe 2 ) synthesized by modified atmospheric pressure chemical vapor deposition (APCVD) exhibit outstanding photoresponsivity (103.1 A W -1 ), while it is generally believed that optical response of multilayer transition metal dichalcogenides (TMDs) is significantly limited due to their indirect bandgap and inefficient photoexcitation process. Here, the fundamental origin of such a high photoresponsivity in the synthesized multilayer MoSe 2 TFTs is sought. A unique structural characteristic of the APCVD-grown MoSe 2 is observed, in which interstitial Mo atoms exist between basal planes, unlike usual 2H phase TMDs. Density functional theory calculations and photoinduced transfer characteristics reveal that such interstitial Mo atoms form photoreactive electronic states in the bandgap. Models indicate that huge photoamplification is attributed to trapped holes in subgap states, resulting in a significant photovoltaic effect. In this study, the fundamental origin of high responsivity with synthetic MoSe 2 phototransistors is identified, suggesting a novel route to high-performance, multifunctional 2D material devices for future wearable sensor applications. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 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....

  1. Ternary alloying study of MoSi2

    International Nuclear Information System (INIS)

    Yi, D.; Li, C.; Akselsen, O.M.; Ulvensoen, J.H.

    1998-01-01

    Ternary alloying of MoSi 2 with adding a series of transition elements was investigated by X-ray diffraction (XRD), scanning electron microscopy, transmission electron microscopy (TEM), and energy dispersive spectroscopy (EDS). Iron, Co, Ni, Cr, V, Ti, and Nb were chosen as alloying elements according to the AB 2 structure map or the atomic size factor. The studied MoSi 2 base alloys were prepared by the arc melting process from high-purity metals. The EDS analysis showed that Fe, Co, and Ni have no solid solubility in as-cast MoSi 2 , while Cr, V, Ti, and Nb exhibit limited solid solubilities, which were determined to be 1.4 ± 0.7, 1.4 ± 0.4, 0.4 ± 0.1, and 0.8 ± 0.1. Microstructural characterization indicated that Mo-Si-M VIII (M VIII = Fe, Co, Ni) and Mo-Si-Cr alloys have a two-phase as-cast microstructure, i.e., MoSi 2 matrix and the second-phase FeSi 2 , CoSi, NiSi 2 , and CrSi 2 , respectively. In as-cast Mo-Si-V, Mo-Si-Ti, and Mo-Si-Nb alloys, besides MoSi 2 and C40 phases, the third phases were observed, which have been identified to be (Mo, V) 5 Si 3 , TiSi 2 , and (Mo, Nb) 5 Si 3

  2. 76 FR 43576 - Amendment of Class E Airspace; Hannibal, MO

    Science.gov (United States)

    2011-07-21

    ...-0046; Airspace Docket No. 11-ACE-1] Amendment of Class E Airspace; Hannibal, MO AGENCY: Federal... Hannibal, MO. Decommissioning of the Hannibal non-directional beacon (NDB) at Hannibal Regional Airport, Hannibal, MO, has made this action necessary to enhance the safety and management of Instrument Flight Rule...

  3. Demonstration of resonant photopumping of Mo VII by Mo XII for a VUV laser near 600 Angstrom

    International Nuclear Information System (INIS)

    Ilcisin, K.J.; Aumayr, F.; Schwob, J.L.; Suckewer, S.

    1993-09-01

    We present data of experiments on the resonant photopumping of Mo VII by Mo XII as a method of generating a coherent VUV source near 600 angstrom. The experiment is based on a scheme proposed by Feldman and Reader in which the 4p 6 -- 4p 5 6s transition in Mo VII in resonantly photopumped by the 5s 2 S 1/2 -- 4p 2 P 1/2 transition in Mo XII. Results of the laser produced plasma experiments show the successful enhancement of the population of the Mo VII 4p 5 6s upper lasing level when pumped by an adjacent Mo VII plasma. No enhancement was seen in a control experiment where the Mo VII plasma was pumped by a Zr X plasma. Improvements of the intensity of the Mo XII pump source, achieved using an additional pump laser, lead to the generation of a population inversion for the VUV transition

  4. 91Mo and 89Nb high-spin states

    International Nuclear Information System (INIS)

    Baktybaev, K.; Kojlyk, N.; Ramankulov, K.E.

    2003-01-01

    In the work the shell-model calculation for 91 Mo and 89 Nb nuclei high-spin states with several valente nucleons is worked out. The nucleons have been arranged in the {2p 1/2 1g 9 / 2 } configurations above the 88 Sr twice magic frame. Using of formalism of generalized quasi-spin with H=H 0 +H pp +H nn +H pn Hamiltonian in which H pp , H nn , H pn the residual nucleon interactions have being written through generalized quasi-spin operators. The obtained scheme well reproduces experimental data for examined nuclei up to 31/2 + , 33/2 - levels with seniority ν=3.5. Similarity of the spectroscopic structures of the nucleus levels with different protons and neutrons numbers above inert frame shows independence of nucleon-nucleon interactions from isotope spins of particles. There are analogous comparison of some negative yrast bands parity levels. The theory well transmits intensity values for electromagnet transitions between states. Besides the observed nuclei's properties does not give any indication on presence of valent nucleons collective motion in the both nuclei

  5. Controllable synthesis of carbon nanotubes by changing the Mo content in bimetallic Fe-Mo/MgO catalyst

    International Nuclear Information System (INIS)

    Xu Xiangju; Huang Shaoming; Yang Zhi; Zou Chao; Jiang Junfan; Shang Zhijie

    2011-01-01

    Research highlights: → Increasing the Mo content in the Fe-Mo/MgO catalysts resulted in an increase in wall number, diameter and growth yield of carbon nanotubes. → The Fe interacts with MgO to form complex (MgO) x (FeO) 1-x (0 4 and relative large metal Mo particles can be generated after reduction. → The avalanche-like reduction of MgMoO 4 makes the catalyst particles to be small thus enhances the utilize efficiency of Fe nanoparticles. - Abstract: A series of Fe-Mo/MgO catalysts with different Mo content were prepared by combustion method and used as catalysts for carbon nanotube (CNT) growth. Transmission electron microscopy studies of the nanotubes show that the number of the CNT walls and the CNT diameters increase with the increasing of Mo content in the bimetallic catalyst. The growth yield determined by thermogravimetric analysis also follows the trend: the higher the Mo content, the higher the yield of the CNTs. However, the increase of Mo content leads to the lower degree of graphitization of CNTs. A comparative study on the morphology and catalytic functions of Fe/MgO, Mo/MgO and Fe-Mo/MgO catalysts was carried out by scanning electron microscopy and X-ray diffraction. It is found that the Fe interacts with MgO to form complexes and is then dispersed into the MgO support uniformly, resulting in very small Fe nanoparticles after reduction. The Mo interacts with MgO to form stoichiometry compound MgMoO 4 and relative large metal Mo particles can be generated after reduction. High yield CNTs with small diameter can be generated from Fe-Mo/MgO because the avalanche-like reduction of MgMoO 4 makes the catalyst particles to be small thus enhances the utilize efficiency of Fe nanoparticles.

  6. Identical and shifted identical bands

    International Nuclear Information System (INIS)

    Dodder, R.S; Jones, E.F.; Hamilton, J.H.

    1997-01-01

    Spontaneous fission of 252 Cm was studied with 72 large Compton suppressed Ge detectors in Gamma sphere. New isotopes 160 Sm and 162 Gd were identified. Through X-ray-γ and γ-γ-γ) coincidence measurements, level energies were established to spins 14 + to 20 + in 152 , 154 156 60 Nd 92 94 96 , 156 , 158 , 160 62 Sm 94 , 96 , 98 , and 160 , 162 64 Gd 96 , 98 . These nuclei exhibit a remarkable variety of identical bands and bands where the energies and moments of inertia are shifted by the same constant amount for every spin state from 2 + to 12 + for various combinations of nuclei differing by 2n, 4n, 2p, 4p, and α

  7. Effects of composition modulation on the luminescence properties of Eu(3+) doped Li1-xAgxLu(MoO4)2 solid-solution phosphors.

    Science.gov (United States)

    Cheng, Fangrui; Xia, Zhiguo; Molokeev, Maxim S; Jing, Xiping

    2015-11-07

    Double molybdate scheelite-type solid-solution phosphors Li1-xAgxLu1-y(MoO4)2:yEu(3+) were synthesized by the solid state reaction method, and their crystal structures and luminescence properties were investigated in detail. The composition modulation and structural evolution of this series of samples were studied and the selected AgEu(MoO4)2, AgLu(MoO4)2, LiLu(MoO4)2 and LiEu(MoO4)2 phases were analyzed based on the Rietveld refinement. Depending on the variation of the Li/Ag ratio in Li1-xAgxLu1-y(MoO4)2:yEu(3+) phosphors, the difference in the luminescence properties of Li1-xAgxLu1-y(MoO4)2:yEu(3+) phosphors was ascribed to two factors, one reason could be assigned to the coupling effect and the nonradiative transition between the energy levels of LixAg1-xLu(MoO4)2 matrices and the activator Eu(3+), another could be due to the near ultraviolet energy absorption and transmission efficiency between the charge-transfer (CT) band of O(2-)-Mo(6+) and the 4f → 4f emissive transitions of Eu(3+). The ultraviolet-visible diffuse reflection spectra (UV-vis DRS) and Raman spectra analysis were also used to verify the above mechanism.

  8. Novel electronic properties of a new MoS{sub 2}/TiO{sub 2} heterostructure and potential applications in solar cells and photocatalysis

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yanhua [State Key Laboratory of Coal Disaster Dynamics and Control, Department of Applied Physics, Chongqing University, Chongqing 400044 (China); Cai, Congzhong, E-mail: czcai@cqu.edu.cn [State Key Laboratory of Coal Disaster Dynamics and Control, Department of Applied Physics, Chongqing University, Chongqing 400044 (China); Gu, Yonghong [State Key Laboratory of Coal Disaster Dynamics and Control, Department of Applied Physics, Chongqing University, Chongqing 400044 (China); Chongqing Key Laboratory on Optoelectronic Functional Materials, Chongqing Normal University, Chongqing 401331 (China); Cheng, Wende [State Key Laboratory of Coal Disaster Dynamics and Control, Department of Applied Physics, Chongqing University, Chongqing 400044 (China); Department of Physics, Chongqing University of Science and Technology, Chongqing 401331 (China); Xiong, Wen [Department of Physics, Chongqing University, Chongqing 401331 (China); Zhao, Chengjun [State Key Laboratory of Coal Disaster Dynamics and Control, Department of Applied Physics, Chongqing University, Chongqing 400044 (China)

    2017-08-31

    Highlights: • The Moiré patterns of a new MoS{sub 2}/TiO{sub 2} heterostructure are investigated. • The novel electronic properties of the new heterostructure are discovered. • The MoS{sub 2}/TiO{sub 2} superlattice is found to have similar electronic properties to the bilayer heterostructure. • Two novel design schemes based on the MoS{sub 2}/TiO{sub 2} heterostructure and superlattice are proposed for a solar cell and photocatalyst, respectively. - Abstract: The structural and electronic properties of two-dimensional (2D) MoS{sub 2}/TiO{sub 2} heterostructure with a special configuration of Moiré pattern have been investigated for the first time using first-principles methods with van der Waals correction. It is found that the new van der Waals heterostructure is of a type-II band alignment between the MoS{sub 2} and TiO{sub 2} layers, and the electronic structures of monolayer MoS{sub 2} and 2D TiO{sub 2} are well retained in their respective layers due to a weak interlayer coupling, which suggests that the heterostructure may have potential applications in many fields such as photoelectric devices, photocatalysis, energy conversion and storage, etc. Meanwhile, the heterostructure can also provide an ideal platform of two-dimensional electron gas (2DEG) and two-dimensional hole gas (2DHG) for fundamental research such as spin Hall effect, etc. In addition, it is discovered that the corresponding MoS{sub 2}/TiO{sub 2} superlattice also has similar electronic properties to MoS{sub 2}/TiO{sub 2} bilayer heterostructure. Furthermore, two novel design schemes based on the MoS{sub 2}/TiO{sub 2} heterostructure and superlattice are proposed for a solar cell and photocatalyst, respectively.

  9. NCenter wide band neutrino beam

    International Nuclear Information System (INIS)

    Stutte, L.G.

    1985-01-01

    This memo describes the physical properties of the currently operating N-Center wide band neutrino beam---commonly called the triplet train, following a past tradition of a triplet lens configuration. In reality, in order to gain a larger momentum acceptance and to minimize the angular divergence of the beam, a quadruplet beam (4 lenses) employing point-to-parallel optics at a central momentum of 300 GeV was built. 6 refs., 13 figs., 1 tab

  10. Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

    KAUST Repository

    Gan, Liyong

    2014-10-21

    A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

  11. Order-disorder phase transitions in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te)

    KAUST Repository

    Gan, Liyong; Zhang, Qingyun; Zhao, Yu-Jun; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    A combination of density functional theory, an empirical model, and Monte Carlo simulations is used to shed light on the evolution of the atomic distribution in the two-dimensional semiconducting transition metal dichalcogenide alloys Mo1−xWxX2 (X = S, Se, and Te) as a function of the W concentration and temperature. Both random and ordered phases are discovered and the origin of the phase transitions is clarified. While the empirical model predicts at x = 1/3 and 2/3 ordered alloys, Monte Carlo simulations suggest that they only exist at low temperature due to a small energetic preference of Mo-X-W over Mo-X-Mo and W-X-W interactions, explaining the experimental observation of random alloy Mo1−xWxS2. Negative formation energies point to a high miscibility. Tunability of the band edges and band gaps by alteration of the W concentration gives rise to a broad range of applications.

  12. A systematic first principle method to study magnetic properties of FeMo, CoMo and NiMo

    International Nuclear Information System (INIS)

    Bhattacharjee, Ashis Kumar; Touheed, Md.; Ahmed, Mesbahuddin; Halder, A.; Mookerjee, A.

    2003-06-01

    We use the first principle TB-LMTO (Tight-Binding Linear Muffin Tin Orbital) method combined with the ASM (Augmented Space Method) to take care of disorder beyond the mean field (CPA - Cohetent Potential Approximation) approximation. We analyze binary alloys between magnetic transition metals Fe, Co, Ni and non-magnetic Mo to find out the effect of disorder on electronic structure and consequently magnetic properties of the alloys. (author)

  13. [Gastric band erosion: Alternative management].

    Science.gov (United States)

    Echaverry-Navarrete, Denis José; Maldonado-Vázquez, Angélica; Cortes-Romano, Pablo; Cabrera-Jardines, Ricardo; Mondragón-Pinzón, Erwin Eduardo; Castillo-González, Federico Armando

    2015-01-01

    Obesity is a public health problem, for which the prevalence has increased worldwide at an alarming rate, affecting 1.7 billion people in the world. To describe the technique employed in incomplete penetration of gastric band where endoscopic management and/or primary closure is not feasible. Laparoscopic removal of gastric band was performed in five patients with incomplete penetrance using Foley catheterization in the perforation site that could lead to the development of a gastro-cutaneous fistula. The cases presented include a leak that required surgical lavage with satisfactory outcome, and one patient developed stenosis 3 years after surgical management, which was resolved endoscopically. In all cases, the penetration site closed spontaneously. Gastric band erosion has been reported in 3.4% of cases. The reason for inserting a catheter is to create a controlled gastro-cutaneous fistula, allowing spontaneous closure. Various techniques have been described: the totally endoscopic, hybrid techniques (endoscopic/laparoscopic) and completely laparoscopic. A technique is described here that is useful and successful in cases where the above-described treatments are not viable. Copyright © 2015. Published by Masson Doyma México S.A.

  14. The synthesis of hierarchical nanostructured MoS{sub 2}/Graphene composites with enhanced visible-light photo-degradation property

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Yongjie, E-mail: zhaoyjpeace@gmail.com [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing, 100081 (China); Zhang, Xiaowei; Wang, Chengzhi [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing, 100081 (China); Zhao, Yuzhen; Zhou, Heping [State Key Laboratory of New Ceramics and Fine Processing, School of Materials Science and Engineering, Tsinghua University, Beijing, 100084 (China); Li, Jingbo; Jin, HaiBo [Beijing Key Laboratory of Construction Tailorable Advanced Functional Materials and Green Applications, School of Materials Science & Engineering, Beijing Institute of Technology, Beijing, 100081 (China)

    2017-08-01

    Graphical abstract: Introducing graphene layer into MoS{sub 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{sub 2} and MoS{sub 2}/Graphene nanocomposite have been synthesized via a solvothermal process. • The scrolled nanosheets of MoS{sub 2} combining with interconnected graphene network promoted the formation of steady hierarchical architecture. • Comparing with MoS{sub 2}, the hierarchical MoS{sub 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{sub 2} and MoS{sub 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{sub 2}, the hierarchical MoS{sub 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{sub 2} and graphene layers. The MoS{sub 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{sub 2} photo-catalyst, and also provide useful information

  15. 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 ...

  16. Study of intruder band in {sup 112}Sn

    Energy Technology Data Exchange (ETDEWEB)

    Ganguly, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Banerjee, P. [Saha Institute of Nuclear Physics, Kolkata 700064 (India)]. E-mail: polash.banerjee@saha.ac.in; Ray, I. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Kshetri, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Raut, R. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Bhattacharya, S. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Saha-Sarkar, M. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Goswami, A. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Mukhopadhyay, S. [UGC-DAE-CSR, Kolkata 700098 (India); Mukherjee, A. [Saha Institute of Nuclear Physics, Kolkata 700064 (India); Mukherjee, G. [Variable Energy Cyclotron Centre, Kolkata 700064 (India); Basu, S.K. [Variable Energy Cyclotron Centre, Kolkata 700064 (India)

    2007-06-01

    Excited states of the positive-parity intruder band in {sup 112}Sn, populated in the {sup 100}Mo({sup 20}Ne,{alpha}4n) reaction at a beam energy of 136 MeV, have been studied. The band has been observed up to 11570.0 keV with spin (24{sup +}). Mean lifetimes have been measured for six states up to the 22{sup +}, 10335.1 keV level and an upper limit of the lifetime has been estimated for the 11570.0 keV (24{sup +}) state. The B(E2) values, derived from the present lifetime results, correspond to a moderate quadrupole deformation of {beta}{sub 2}{approx}0.18 for states with spin J{sup {pi}}>=12{sup +}, and the decrease in B(E2) for the 14{sup +}->12{sup +} transition is consistent with a {nu}(h{sub 11/2}){sup 2} alignment at {omega}{approx}0.35 MeV, predicted by a cranked shell-model calculation. Total Routhian surface calculations predict a triaxial shape following the alignment.

  17. 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.

  18. 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

  19. Mo-doped Gray Anatase TiO2: Lattice Expansion for Enhanced Sodium Storage

    International Nuclear Information System (INIS)

    Liao, Hanxiao; Xie, Lingling; Zhang, Yan; Qiu, Xiaoqing; Li, Simin; Huang, Zhaodong; Hou, Hongshuai; Ji, Xiaobo

    2016-01-01

    Gray-colored Mo 6+ -doped anatase TiO 2 is prepared uniformly with particle size of 10–20 nm, and is firstly employed as anode material in sodium-ion batteries (SIBs), presenting excellent electrochemical performances. It delivered reversible specific capacities of 231.8 mAh g −1 at 0.1 C (33.5 mA g −1 ) after 100 cycles and 108.3 mAh g −1 at 5 C (1.68 A g −1 ), comparing to 170.5 mAh g −1 at 0.1 C and only 41.7 mAh g −1 at 5C for the bare TiO 2 . The improved electrochemical performances might be beneficial from the doping of Mo 6+ , which can effectively enhance the conductivity of TiO 2 resulting from induced conduction band electrons, interstitial oxygen defects and vacancies. In addition, the doping can also lead to the lattice expansion, which can facilitate the diffusion of Na + . In combination with natural abundance and environmental benignity, Mo 6+ -doped TiO 2 can be expected to be utilized as an anode material for enhanced sodium storage.

  20. Structural and optical investigation in Er3+ doped Y2MoO6 phosphors

    Science.gov (United States)

    Mondal, Manisha; Rai, Vineet Kumar

    2018-05-01

    The Er3+ doped Y2MoO6 phosphors have been structurally and optically characterized by X-ray Diffraction (XRD), Field emission scanning electron microscopy (FESEM), UV-Vis absorption spectroscopy and frequency upconversion (UC) emission studies. The crystal and the particles size are found to be ˜ 85 nm and ˜ 200 nm from XRD and FESEM analysis. The intense peak at ˜ 206 nm in the UV-Vis absorption spectroscopy is attributed due to the charge transfer transition between the Mo6+ and the O2- ions in the MoO4 group in the host molybdate. The frequency UC emission studies of the prepared phosphors under 980 nm diode laser excitation shows the intense UC emission in the 0.3 mol% concentrations for the Er3+ ions. In the UC emission spectra, the emission peaks at green (˜ 525 nm and ˜ 546 nm) and red (˜ 656 nm) bands are corresponding to the 2H11/2, 4S3/2 → 4I15/2 and 4F9/2 → 4I15/2 transitions of Er3+ ions. The mechanisms involved in the UC process have been explored with the help of energy level diagram. Moreover, the CIE point (0.31, 0.60) lie in the green colour region which indicates that the developed phosphor have suitable applications in NIR to visible upconverter and in making green light display devices.

  1. Optical properties of single-layer, double-layer, and bulk MoS2

    Energy Technology Data Exchange (ETDEWEB)

    Molina-Sanchez, Alejandro; Wirtz, Ludger [University of Luxembourg (Luxembourg); Hummer, Kerstin [University of Vienna, Vienna (Austria)

    2013-07-01

    The rise of graphene has brought attention also to other layered materials that can complement graphene or that can be an alternative in applications as transistors. Single-layer MoS{sub 2} has shown interesting electronic and optical properties such as as high electron mobility at room temperature and an optical bandgap of 1.8 eV. This makes the material suitable for transistors or optoelectronic devices. We present a theoretical study of the optical absorption and photoluminescence spectra of single-layer, double-layer and bulk MoS{sub 2}. The excitonic states have been calculated in the framework of the Bethe-Salpeter equation, taking into account the electron-hole interaction via the screened Coulomb potential. In addition to the step-function like behaviour that is typical for the joint-density of states of 2D materials with parabolic band dispersion, we find a bound excitonic peak that is dominating the luminescence spectra. The peak is split due to spin-orbit coupling for the single-layer and split due to layer-layer interaction for few-layer and bulk MoS{sub 2}. We discuss the changes of the optical bandgap and of the exciton binding energy with the number of layers, comparing our results with the reported experimental data.

  2. More on Estimation of Banded and Banded Toeplitz Covariance Matrices

    OpenAIRE

    Berntsson, Fredrik; Ohlson, Martin

    2017-01-01

    In this paper we consider two different linear covariance structures, e.g., banded and bended Toeplitz, and how to estimate them using different methods, e.g., by minimizing different norms. One way to estimate the parameters in a linear covariance structure is to use tapering, which has been shown to be the solution to a universal least squares problem. We know that tapering not always guarantee the positive definite constraints on the estimated covariance matrix and may not be a suitable me...

  3. Study of the activation of targets containing Mo for the production of 99Mo by the 98Mo(n,γ)99Mo nuclear reaction and the behaviour of the radionuclidic impurities of the process

    International Nuclear Information System (INIS)

    Nieto, Renata Correa

    1998-01-01

    The most used radioisotope in Nuclear Medicine is 99m Tc, in the 99 Mo- 99m Tc generator form. 99 Mo can be produced by several nuclear reactions in reactors and cyclotrons. The cyclotron production is not technically and economically viable. The production in the reactor can be done in two different ways: by the fission of 235 U and by 98 Mo(n,γ) 99 Mo reaction. A project for the production of 99 Mo by the activation of Mo and the preparation of gel type generators is under development at the 'Instituto de Pesquisas Energeticas e Nucleares'. In the present work, the radionuclidic impurities produced in the activation of MOO 3 and MoZr gel were evaluated, and these represent the two possible ways of preparing the gel of MoZr. A target of metallic Mo was also studied. The radionuclidic purity of 99m Tc eluted from generators prepared in these ways was also measured and compared with the generators prepared with fission 99 Mo. The results showed that, by all the parameters analysed, the best way of preparing the generator of 99 Mo - 99m Tc is the irradiation of MOO 3 and further preparation of the gel and the generators. (author)

  4. Holey Reduced Graphene Oxide Coupled with an Mo2 N-Mo2 C Heterojunction for Efficient Hydrogen Evolution.

    Science.gov (United States)

    Yan, Haijing; Xie, Ying; Jiao, Yanqing; Wu, Aiping; Tian, Chungui; Zhang, Xiaomeng; Wang, Lei; Fu, Honggang

    2018-01-01

    An in situ catalytic etching strategy is developed to fabricate holey reduced graphene oxide along with simultaneous coupling with a small-sized Mo 2 N-Mo 2 C heterojunction (Mo 2 N-Mo 2 C/HGr). The method includes the first immobilization of H 3 PMo 12 O 40 (PMo 12 ) clusters on graphite oxide (GO), followed by calcination in air and NH 3 to form Mo 2 N-Mo 2 C/HGr. PMo 12 not only acts as the Mo heterojunction source, but also provides the Mo species that can in situ catalyze the decomposition of adjacent reduced GO to form HGr, while the released gas (CO) and introduced NH 3 simultaneously react with the Mo species to form an Mo 2 N-Mo 2 C heterojunction on HGr. The hybrid exhibits superior activity towards the hydrogen evolution reaction with low onset potentials of 11 mV (0.5 m H 2 SO 4 ) and 18 mV (1 m KOH) as well as remarkable stability. The activity in alkaline media is also superior to Pt/C at large current densities (>88 mA cm -2 ). The good activity of Mo 2 N-Mo 2 C/HGr is ascribed to its small size, the heterojunction of Mo 2 N-Mo 2 C, and the good charge/mass-transfer ability of HGr, as supported by a series of experiments and theoretical calculations. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Theoretical calculations of valence states in Fe-Mo compounds

    International Nuclear Information System (INIS)

    Estrada, F; Navarro, O; Noverola, H; Suárez, J R; Avignon, M

    2014-01-01

    The half-metallic ferromagnetic double perovskite compound Sr 2 FeMoO 6 is considered as an important material for spintronic applications. It appears to be fundamental to understand the role of electronic parameters controlling the half-metallic ground state. Fe-Mo double perovskites usually present some degree of Fe/Mo disorder which generally increases with doping. In this work, we study the valence states of Fe-Mo cations in the off-stoichiometric system Sr 2 Fe 1+x Mo 1−x O 6 (−1 ≤ x ≤ 1/3) with disorder. Our results for Fe and Mo valence states are obtained using the Green functions and the renormalization perturbation expansion method. The model is based on a correlated electron picture with localized Fe-spins and conduction Mo-electrons interacting with the local spins via a double-exchange-type mechanism

  6. Phase formation in the Li2MoO4-Rb2MoO4-Ln2(MoO4)3 systems and the properties of LiRbLn2(MoO4)4

    International Nuclear Information System (INIS)

    Basovich, O.M.; Khajkina, E.G.; Vasil'ev, E.V.; Frolov, A.M.

    1995-01-01

    Phase equilibria within subsolidus range of ternary salt systems Li 2 MoO 4 -Rb 2 MoO 4 -Ln 2 (MoO 4 ) 4 (Ln - Nd, Er) are analyzed. Formation of ternary molybdate LiRbNd 2 (MoO 4 ) 4 is proved along LiNd(MoO 4 ) 2 -RbNd(MoO 4 )-2 cross-section. Phase diagram of this cross-section is plotted. Similar compounds are synthesized for Ln = La-Eu. The parameters of their monoclinic elementary cells are determined. Luminescent properties of LiRbLa 2 (MoO 4 ) 4 -Nd 3+ are studied. 17 refs., 4 figs., 2 tabs

  7. Synthesis of α-MoO3 nanoplates using organic aliphatic acids and investigation of sunlight enhanced photodegradation of organic dyes

    International Nuclear Information System (INIS)

    Kumar, V. Vinod; Gayathri, K.; Anthony, Savarimuthu Philip

    2016-01-01

    Graphical abstract: Thermodynamically stable α-MoO 3 nanoplates and nanorods were synthesized using organic structure controlling agents and demonstrated sun light enhanced photocatalytic degradation of methylene blue (MB) and rhodamine blue (Rh-B) dyes in aqueous solution. - Highlights: • α-MoO 3 hexagonal nanoplates using organic structure controlling agents. • Tunable optical band gap of MoO 3 . • Demonstrated strong sun light mediated enhanced photodegradation of methylene blue and rhodamine blue. • Photodegradation did not use any other external oxidizing agents. - Abstract: Thermodynamically stable α-MoO 3 nanoplates were synthesized using organic aliphatic acids as structure controlling agents and investigated photocatalytic degradation of methylene blue (MB) and rhodamine blue (Rh-B) in presence of sun light. Three different organic aliphatic acids, citric acid (CA), tartaric acid (TA) and ethylene diamine tetra-acetic acid (EDTA), were employed to control morphologies. CA and TA predominantly produced extended hexagonal plates where EDTA gave nanorods as well as nanoplates. PXRD studies confirmed the formation of α-MoO 3 nanoparticles. HR-TEM and FE-SEM reveal the formation of plate morphologies with 20–40 nm thickness, 50–100 nm diameter and 600 nm lengths. The different morphologies of α-MoO 3 nanoparticles lead to the tunable optical band gap between 2.80 and 2.98 eV which was obtained from diffused reflectance spectra (DRS). Interestingly, the synthesized α-MoO 3 nanoplates exhibited strong photocatalytic degradation of MB and Rh-B up to 99% in presence of sun light without using any oxidizing agents.

  8. Successful labeling of 99mTc-MDP using 99mTc separated from 99Mo produced by 100Mo(n,2n)99Mo

    International Nuclear Information System (INIS)

    Nagai, Yasuki; Hatsukawa, Yuichi; Kin, Tadahiro; Hashimoto, Kazuyuki; Motoishi, Shoji; Konno, Chikara; Ochiai, Kentaro; Takakura, Kosuke; Sato, Yuichi; Sato, Norihito; Ohta, Akio; Yamabayashi, Hisamichi; Tanase, Masakazu; Fujisaki, Saburo; Kawauchi, Yukimasa; Teranaka, Tomoyuki; Takeuchi, Nobuhiro; Igarashi, Takashi

    2011-01-01

    We have for the first time succeeded in separating 99m Tc from a MoO 3 sample irradiated with accelerator neutrons free from any radioactive impurities and in formulating 99m Tc-methylene diphosphonate ( 99 mTc-MDP). 99 Mo, the mother nuclide of 99m Tc, was produced by the 100 Mo(n,2n) 99 Mo reaction using about 14 MeV neutrons provided by the 3 H(d,n) 4 He reaction at the Fusion Neutronics Source of Japan Atomic Energy Agency. The 99m Tc was separated from 99 Mo by sublimation and its radionuclide purity was confirmed to be higher than 99.99% by γ-spectroscopy. The labeling efficiency of 99m Tc-MDP was shown to be higher than 99% by thin-layer chromatography. These values exceed the United States Pharmacopeia requirements for a fission product, 99 Mo. Consequently, a 99m Tc radiopharmaceutical preparation formed by using the mentioned 99 Mo can be a promising substitute for the fission product 99 Mo, which is currently produced using a highly enriched uranium target in aging research reactors. A longstanding problem to ensure a reliable and constant supply of 99 Mo in Japan can be partially mitigated. (author)

  9. Study of the 93Mo nucleus

    International Nuclear Information System (INIS)

    Mittal, V.K.; Avasthi, D.K.; Kumar, A; Govil, I.M.

    1981-01-01

    The level structure of 93 Mo has been studied through 93 Nb(p,nγ) reaction at incident proton energy of 4.2 MeV. Spin assignments and multipole mixing ratios for various levels and transitions have been deduced from the analysis of angular distributions of singles γ-ray spectra. Lifetimes of various levels have been obtained using Doppler Shift Attenuation (DSA) method. (author)

  10. Optical properties of CaWO4 and CaMoO4 crystals in the 4-25 eV region

    International Nuclear Information System (INIS)

    Grasser, R.; Pitt, E.; Scharmann, A.; Zimmerer, G.

    1975-04-01

    The reflection spectra of CaWO 4 and CaMoO 4 single crystals were measured in the region between 4 and 25 eV. The measurements were performed using the electron synchrotron DESY as a light source. Both crystals show very similar spectral features. A relatively sharp, well separated low energy peak is accompanied on the high energy side by two groups of maxima, each group containing three broad main reflection bands which strongly overlap. Besides this, a less pronounced structure is observed over the whole spectral region. The experimental results are discussed in terms of semiempirical MO calculations of the anionic transition metal oxo complexes. (orig.) [de

  11. High macro rubber band ligature

    Directory of Open Access Journals (Sweden)

    José A. Reis Neto

    2013-07-01

    Full Text Available Purpose: The goal of a rubber band ligature is to promote fibrosis of the submucosa with subsequent fixation of the anal epithelium to the underlying sphincter. Following this principle, a new technique of ligature was developed based on two aspects: 1. macro banding: to have a better fibrosis and fixation by banding a bigger volume of mucosa and 2. higher ligature: to have this fixation at the origin of the hemorrhoidal cushion displacement. Methods: 1634 patients with internal hemorrhoidal disease grade II or III were treated by the technique called high macro rubber band. There was no distinction as to age, gender or race. To perform this technique a new hemorrhoidal device was specially designed with a larger diameter and a bigger capacity for mucosal volume aspiration. It is recommended to utilize a longer and wider anoscope to obtain a better view of the anal canal, which will facilitate the injection of submucosa higher in the anal canal and the insertion of the rubber band device. The hemorrhoidal cushion must be banded higher in the anal canal (4 cm above the pectinate line. It is preferable to treat all the hemorrhoids in one single session (maximum of three areas banded. Results: The analysis was retrospective without any comparison with conventional banding. The period of evaluation extended from one to twelve years. The analysis of the results showed perianal edema in 1.6% of the patients, immediate tenesmus in 0.8%, intense pain (need for parenteral analgesia in 1.6%, urinary retention in 0.1% of the patients and a symptomatic recurrence rate of 4.2%. All patients with symptomatic recurrence were treated with a new session of macro rubber banding. None of the patients developed anal or rectal sepsis. Small post-ligature bleeding was observed only in 0.8% of the patients. Conclusions: The high macro rubber banding technique represents an alternative method for the treatment of hemorrhoidal disease grades II or III, with good

  12. MoS{sub 2} spaser

    Energy Technology Data Exchange (ETDEWEB)

    Jayasekara, Charith, E-mail: charith.jayasekara@monash.edu; Premaratne, Malin [Advanced Computing and Simulation Laboratory (A chi L), Department of Electrical and Computer Systems Engineering, Monash University, Clayton, Victoria 3800 (Australia); Gunapala, Sarath D. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, California 91109 (United States); Stockman, Mark I. [Department of Physics and Astronomy, Georgia State University, Atlanta, Georgia 30303 (United States)

    2016-04-07

    We present a comprehensive analysis of a spaser made of a circular shaped highly doped molybdenum disulfide (MoS{sub 2}) resonator. “Spaser” is an acronym for “surface plasmon amplification by stimulated emission of radiation”–a nanoscale source of surface plasmons generated by stimulated emission in a plasmonic resonator which receives energy nonradiatively. By considering localized surface plasmon modes, operation characteristics of the model are analysed, and tunability of the design is demonstrated. We find the optimum geometric and material parameters of the spaser that provides efficient outputs and carryout a comparative analysis with a similar circular spaser made of graphene. Owing to physical and chemical properties of MoS{sub 2} and the active medium, the proposed design delivers efficient outputs in terms of spaser mode energy, operating thresholds, Q-factor, and electric field amplitude. Lower operating thresholds and higher mode energies are notable advantages of the design. Owing to having many superior features to existing similar designs, this MoS{sub 2} spaser may be much suited for applications in nanoplasmonic devices.

  13. Physicochemical investigation of Bi2MoO6 solid-phase interaction with Sm2MoO6

    International Nuclear Information System (INIS)

    Khajkina, E.G.; Kovba, L.M.; Bazarova, Zh.G.; Khal'baeva, K.M.; Khakhinov, V.V.; Mokhosoev, M.V.

    1986-01-01

    Bi 2 MoO 6 -Sm 2 MoO 6 interaction in the temperature range of 700-1000 deg C is studied using X-ray phase analysis and vibrational spectroscopy. Formation of monoclinic solid solutions based on γ'-Bi 2 MoO 6 and B 2-x Sm x MoO 6 varied composition phase with α-Ln 2 MoO 6 structure which homogeneity region extent at 1000 deg C constitutes ∼ 50 mol % (0.7≤x≤1.7) is stated. Crystallographic characteristics of the synthesized phases are determined

  14. The structural and electronic properties of cubic AgMO{sub 3} (M=Nb, Ta) by first principles calculations

    Energy Technology Data Exchange (ETDEWEB)

    Prasad, K. Ganga; Niranjan, Manish K.; Asthana, Saket [Department of Physics, Indian Institute of Technology Hyderabad, India, 502205 (India)

    2016-05-06

    We report the electronic structure of the AgMO{sub 3}(M=Nb, Ta) within the frame work of density functional theory and calculations are performed within the generalized gradient approximation (GGA) by using ultrasoft pseudopotentials. The calculated equilibrium lattice parameters and volumes are extracted from fitting of Birch third order equation of state and which are reasonable agreement with the available experimental results. The density of states,band structure of Ag(Nb,Ta)O{sub 3} reveals that the valance bands mostly occupied with O-2p and O-2s states and whereas conduction band occupied with Nb (Ta) 4d(5d) states including less contribution from Ag 5s states.

  15. Band Subset Selection for Hyperspectral Image Classification

    Directory of Open Access Journals (Sweden)

    Chunyan Yu

    2018-01-01

    Full Text Available This paper develops a new approach to band subset selection (BSS for hyperspectral image classification (HSIC which selects multiple bands simultaneously as a band subset, referred to as simultaneous multiple band selection (SMMBS, rather than one band at a time sequentially, referred to as sequential multiple band selection (SQMBS, as most traditional band selection methods do. In doing so, a criterion is particularly developed for BSS that can be used for HSIC. It is a linearly constrained minimum variance (LCMV derived from adaptive beamforming in array signal processing which can be used to model misclassification errors as the minimum variance. To avoid an exhaustive search for all possible band subsets, two numerical algorithms, referred to as sequential (SQ and successive (SC algorithms are also developed for LCMV-based SMMBS, called SQ LCMV-BSS and SC LCMV-BSS. Experimental results demonstrate that LCMV-based BSS has advantages over SQMBS.

  16. The DSS-14 C-band exciter

    Science.gov (United States)

    Rowan, D. R.

    1989-01-01

    The development and implementation of a C-band exciter for use with the Block IV Receiver-Exciter Subsystem at Deep Space Station 14 (DSS-14) has been completed. The exciter supplements the standard capabilities of the Block IV system by providing a drive signal for the C-band transmitter while generating coherent translation frequencies for C-band (5-GHz) to S-band (2.2- to 2.3-GHz) Doppler extraction, C-band to L-band (1.6-GHz) zero delay measurements, and a level calibrated L-band test signal. Exciter functions are described, and a general explanation and description of the C-band uplink controller is presented.

  17. Synthesis of Fine Mo2C Powder from Prereduced Mo in Undiluted CH4 Flow

    Science.gov (United States)

    Cetinkaya, S.; Eroglu, S.

    2017-10-01

    The carburization behavior of prereduced Mo was investigated in undiluted CH4 flow at 900-1000 K. Prior to the experiments, equilibrium thermodynamic analysis was carried out in the Mo-C-H system. The products were characterized by mass measurement, x-ray diffraction and scanning electron microscopy techniques. A single Mo2C phase was obtained within 45 min, 5 min, and 2.5 min at 900 K, 950 K, and 1000 K, respectively, at CH4 contents higher than the predicted ones. The reasons for this behavior were discussed in terms of CH4 stability, open tube flow, and self-created atmosphere in the powder bed. The fractional conversion-time curves indicated that the carburization kinetics followed a linear rate law. The Mo2C crystallite size (26-37 nm) and platelet thickness (50-100 nm) were found to be smaller than those of the parent Mo phase. These findings were attributable to the defects formed as a result of stresses associated with the reduction and the carburization.

  18. Deoxygenation of glycolaldehyde and furfural on Mo2C/Mo(100)

    Science.gov (United States)

    McManus, Jesse R.; Vohs, John M.

    2014-12-01

    The desire to produce fuels and chemicals in an energy conscious, environmentally sympathetic approach has motivated considerable research on the use of cellulosic biomass feedstocks. One of the major challenges facing the utilization of biomass is finding effective catalysts for the efficient and selective removal of oxygen from the highly-oxygenated, biomass-derived platform molecules. Herein, a study of the reaction pathways for the biomass-derived platform molecule furfural and biomass-derived sugar model compound glycolaldehyde provides insight into the mechanisms of hydrodeoxygenation (HDO) on a model molybdenum carbide catalyst, Mo2C/Mo(100). Using temperature programmed desorption (TPD) and high resolution electron energy loss spectroscopy (HREELS), it was found that the Mo2C/Mo(100) catalyst was active for selective deoxygenation of the aldehyde carbonyl by facilitating adsorption of the aldehyde in an η2(C,O) bonding configuration. Furthermore, the catalyst showed no appreciable activity for furanic ring hydrogenation, highlighting the promise of relatively inexpensive Mo2C catalysts for selective HDO chemistry.

  19. Highly sensitive wide bandwidth photodetector based on internal photoemission in CVD grown p-type MoS2/graphene Schottky junction.

    Science.gov (United States)

    Vabbina, PhaniKiran; Choudhary, Nitin; Chowdhury, Al-Amin; Sinha, Raju; Karabiyik, Mustafa; Das, Santanu; Choi, Wonbong; Pala, Nezih

    2015-07-22

    Two dimensional (2D) Molybdenum disulfide (MoS2) has evolved as a promising material for next generation optoelectronic devices owing to its unique electrical and optical properties, such as band gap modulation, high optical absorption, and increased luminescence quantum yield. The 2D MoS2 photodetectors reported in the literature have presented low responsivity compared to silicon based photodetectors. In this study, we assembled atomically thin p-type MoS2 with graphene to form a MoS2/graphene Schottky photodetector where photo generated holes travel from graphene to MoS2 over the Schottky barrier under illumination. We found that the p-type MoS2 forms a Schottky junction with graphene with a barrier height of 139 meV, which results in high photocurrent and wide spectral range of detection with wavelength selectivity. The fabricated photodetector showed excellent photosensitivity with a maximum photo responsivity of 1.26 AW(-1) and a noise equivalent power of 7.8 × 10(-12) W/√Hz at 1440 nm.

  20. Study of rotational band in 111Sn

    International Nuclear Information System (INIS)

    Ganguly, S.; Banerjee, P.; Ray, I.; Kshetri, R.; Raut, R.; Goswami, A.; Saha Sarkar, M.; Bhattacharya, S.; Mukherjee, A.; Mukherjee, G.; Basu, S.K.; Mukhopadhyay, S.

    2006-01-01

    The motivation of the present work is to study the negative-parity rotational band in 111 Sn. Study of the lifetimes of the states of the rotational band is expected to provide information on their structures as well as the band termination phenomenon

  1. Prenatal diagnosis of amniotic band syndrome

    Directory of Open Access Journals (Sweden)

    Laxmi Devi Padmanabhan

    2016-01-01

    Full Text Available Amniotic band can cause a broad spectrum of anomalies ranging from simple band constrictions to major craniofacial and visceral defects. It can cause significant neonatal morbidity. Accurate diagnosis will help in the management of the present pregnancy and in counseling with regard to future pregnancies. Here we report three cases of amniotic band syndrome detected in the prenatal period.

  2. Complex band structure and electronic transmission eigenchannels

    DEFF Research Database (Denmark)

    Jensen, Anders; Strange, Mikkel; Smidstrup, Soren

    2017-01-01

    and complex band structure, in this case individual eigenchannel transmissions and different complex bands. We present calculations of decay constants for the two most conductive states as determined by complex band structure and standard DFT Landauer transport calculations for one semi-conductor and two...

  3. High-energy band structure of gold

    DEFF Research Database (Denmark)

    Christensen, N. Egede

    1976-01-01

    The band structure of gold for energies far above the Fermi level has been calculated using the relativistic augmented-plane-wave method. The calculated f-band edge (Γ6-) lies 15.6 eV above the Fermi level is agreement with recent photoemission work. The band model is applied to interpret...

  4. Multi-band Modelling of Appearance

    DEFF Research Database (Denmark)

    Stegmann, Mikkel Bille; Larsen, Rasmus

    2003-01-01

    the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

  5. Multi-band Modelling of Appearance

    DEFF Research Database (Denmark)

    Stegmann, Mikkel Bille; Larsen, Rasmus

    2002-01-01

    the appearance of both derived feature bands and an intensity band. As a special case of feature-band augmented appearance modelling we propose a dedicated representation with applications to face segmentation. The representation addresses a major problem within face recognition by lowering the sensitivity...

  6. 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.

  7. Excitation intensity dependent photoluminescence of annealed two-dimensional MoS{sub 2} grown by chemical vapor deposition

    Energy Technology Data Exchange (ETDEWEB)

    Kaplan, D.; Swaminathan, V. [U.S. Army RDECOM-ARDEC, Fuze Precision Armaments and Technology Directorate, Picatinny Arsenal, New Jersey 07806 (United States); Mills, K. [U.S. Army RDECOM-ARDEC, Energetics, Warheads and Manufacturing Technology Directorate, Picatinny Arsenal, New Jersey 07806 (United States); Lee, J. [Agency for Defense Development, Yuseong, P.O. Box 35, Daejeon, 305-600 (Korea, Republic of); Torrel, S. [Department of Materials Science and Engineering, Piscataway, Rutgers, The State University of New Jersey, New Jersey 08854 (United States)

    2016-06-07

    Here, we present detailed results of Raman and photoluminescence (PL) characterization of monolayers of MoS{sub 2} grown by chemical vapor deposition (CVD) on SiO{sub 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{sub 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{sub 2} monolayers can be leveraged for various device applications.

  8. 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.

  9. Effects of Mo Content on Microstructure and Mechanical Property of PH13-8Mo Martensitic Precipitation-Hardened Stainless Steel

    Science.gov (United States)

    Yubing, Pei; Tianjian, Wang; Zhenhuan, Gao; Hua, Fan; Gongxian, Yang

    This paper introduces the effects of Mo content on microstructure and mechanical property of PH13-8Mo martensitic precipitation-hardened stainless steel which is used for LP last stage blade in steam turbine. Thermodynamic software Thermo-Calc has been used to calculate precipitation temperature and the mass fraction of precipitated phases in PH13-8Mo steel with different Mo content. The result shows that when the mass of Mo is below 0.6wt.%, chi-phase mu-phase and sigma-phase could disappear. The microstructure and mechanical property of high Mo PH13-8Mo (Mo=0.57wt.%) and low Mo PH13-8Mo (Mo=2.15wt.%)have been investigated in different heat treatments. The investigations reveal that austenitizing temperature decrease with the reduce of Mo content, so the optimum solution temperature for low Mo PH13-8Mo is lower than that for high Mo PH13-8Mo.The influence of solution temperature on grain size is weakened with the increase of Mo content, Mo rich carbides could retard coarsening of grain. An enormous amount of nano-size uniformly distributed β-NiAl particles are found in both kinds of steels using transmission electron microscopy, they are the most important strengthening phase in PH13-8Mo.

  10. Mo isotope fractionation during hydrothermal evolution of porphyry Cu systems

    Science.gov (United States)

    Shafiei, Behnam; Shamanian, GholamHossein; Mathur, Ryan; Mirnejad, Hassan

    2015-03-01

    We present Mo isotope compositions of molybdenite types from three successive stages of ore deposition in several porphyry copper deposits of the Kerman region, Iran. The data provide new insights into controlling processes on Mo isotope fractionation during the hydrothermal evolution of porphyry systems. The Mo isotope compositions of 27 molybdenite samples show wide variations in δ97Mo ranging from -0.37 to +0.92 ‰. The data reveal that molybdenites in the early and transitional stages of mineralization (preferentially 2H polytypes; δ97Mo mean = 0.35 ‰) have higher δ97Mo values than late stage (mainly 3R polytypes; δ97Mo mean = 0.02 ‰) molybdenites. This trend suggests that fractionation of Mo isotopes occurred in high-temperature stages of mineralization and that hydrothermal systems generally evolve towards precipitation of molybdenite with lower δ97Mo values. Taking into account the genetic models proposed for porphyry Cu deposits along with the temperature-dependent fractionation of Mo isotope ratios, it is proposed that large variations of Mo isotopes in the early and the transitional stages of ore deposition could be controlled by the separation of the immiscible ore-forming fluid phases with different density, pH, and ƒO2 properties (i.e., brine and vapor). The fractionation of Mo isotopes during fluid boiling and Rayleigh distillation processes likely dominates the Mo isotope budget of the remaining ore-forming fluids for the late stage of mineralization. The lower δ97Mo values in the late stage of mineralization can be explained by depletion of the late ore-forming hydrothermal solutions in 97Mo, as these fluids have moved to considerable distance from the source. Finally, the relationship observed between MoS2 polytypes (2H and 3R) and their Mo isotopic compositions can be explained by the molecular vibration theory, in which heavier isotopes are preferentially partitioned into denser primary 2H MoS2 crystals.

  11. L-band brightness temperature disaggregation for use with S-band and C-band radiometer data for WCOM

    Science.gov (United States)

    Yao, P.; Shi, J.; Zhao, T.; Cosh, M. H.; Bindlish, R.

    2017-12-01

    There are two passive microwave sensors onboard the Water Cycle Observation Mission (WCOM), which includes a synthetic aperture radiometer operating at L-S-C bands and a scanning microwave radiometer operating from C- to W-bands. It provides a unique opportunity to disaggregate L-band brightness temperature (soil moisture) with S-band C-bands radiometer data. In this study, passive-only downscaling methodologies are developed and evaluated. Based on the radiative transfer modeling, it was found that the TBs (brightness temperature) between the L-band and S-band exhibit a linear relationship, and there is an exponential relationship between L-band and C-band. We carried out the downscaling results by two methods: (1) downscaling with L-S-C band passive measurements with the same incidence angle from payload IMI; (2) downscaling with L-C band passive measurements with different incidence angle from payloads IMI and PMI. The downscaling method with L-S bands with the same incident angle was first evaluated using SMEX02 data. The RMSE are 2.69 K and 1.52 K for H and V polarization respectively. The downscaling method with L-C bands is developed with different incident angles using SMEX03 data. The RMSE are 2.97 K and 2.68 K for H and V polarization respectively. These results showed that high-resolution L-band brightness temperature and soil moisture products could be generated from the future WCOM passive-only observations.

  12. 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.

  13. Growth of centimeter-scale atomically thin MoS{sub 2} films by pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Siegel, Gene; Venkata Subbaiah, Y. P.; Prestgard, Megan C.; Tiwari, Ashutosh, E-mail: tiwari@eng.utah.edu [Nanostructured Materials Research Laboratory, Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-05-01

    We are reporting the growth of single layer and few-layer MoS{sub 2} 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 MoS{sub 2} target. The material thus ablated was deposited on a single crystal sapphire (0001) substrate kept at 700 °C in an ambient vacuum of 10{sup −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 MoS{sub 2} target by 50 laser pulses (energy density: 1.5 J/cm{sup 2}) was found to result in the formation of a monolayer of MoS{sub 2} as shown by AFM results. In the Raman spectrum, A{sub 1g} and E{sup 1}{sub 2g} peaks were observed at 404.6 cm{sup −1} and 384.5 cm{sup −1} with a spacing of 20.1 cm{sup −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 MoS{sub 2} 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 MoS{sub 2} films were prepared. It was found that as the number of monolayers (n) in the MoS{sub 2} films increases, the spacing between the A{sub 1g} and E{sup 1}{sub 2g} Raman peaks (Δf) increases following an empirical relation, Δf=26.45−(15.42)/(1+1.44 n{sup 0.9}) cm{sup −1}.

  14. Preparation and applications of mechanically exfoliated single-layer and multilayer MoS₂ and WSe₂ nanosheets.

    Science.gov (United States)

    Li, Hai; Wu, Jumiati; Yin, Zongyou; Zhang, Hua

    2014-04-15

    Although great progress has been achieved in the study of graphene, the small current ON/OFF ratio in graphene-based field-effect transistors (FETs) limits its application in the fields of conventional transistors or logic circuits for low-power electronic switching. Recently, layered transition metal dichalcogenide (TMD) materials, especially MoS2, have attracted increasing attention. In contrast to its bulk material with an indirect band gap, a single-layer (1L) MoS2 nanosheet is a semiconductor with a direct band gap of ~1.8 eV, which makes it a promising candidate for optoelectronic applications due to the enhancement of photoluminescence and high current ON/OFF ratio. Compared with TMD nanosheets prepared by chemical vapor deposition and liquid exfoliation, mechanically exfoliated ones possess pristine, clean, and high-quality structures, which are suitable for the fundamental study and potential applications based on their intrinsic thickness-dependent properties. In this Account, we summarize our recent research on the preparation, characterization, and applications of 1L and multilayer MoS2 and WSe2 nanosheets produced by mechanical exfoliation. During the preparation of nanosheets, we proposed a simple optical identification method to distinguish 1L and multilayer MoS2 and WSe2 nanosheets on a Si substrate coated with 90 and 300 nm SiO2. In addition, we used Raman spectroscopy to characterize mechanically exfoliated 1L and multilayer WSe2 nanosheets. For the first time, a new Raman peak at 308 cm(-1) was observed in the spectra of WSe2 nanosheets except for the 1L WSe2 nanosheet. Importantly, we found that the 1L WSe2 nanosheet is very sensitive to the laser power during characterization. The high power laser-induced local oxidation of WSe2 nanosheets and single crystals was monitored by Raman spectroscopy and atomic force microscopy (AFM). Hexagonal and monoclinic structured WO3 thin films were obtained from the local oxidization of single- to triple

  15. Development of Mo recycle technique from generator materials

    Energy Technology Data Exchange (ETDEWEB)

    Tanimoto, Masataka; Kurosawa, Makoto; Kimura, Akihiro; Nishikata, Kaori; Tsuchiya, Kunihiko [Japan Atomic Energy Agency, Oarai Research and Development Center, Oarai, Ibaraki (Japan); Kakei, Sadanori; Yoshinaga, Hideo [Taiyo Koko Corp., Ako Laboratory, Ako, Hyogo (Japan)

    2012-03-15

    The domestic {sup 99}Mo production by the (n,{gamma}) method is proposed in JMTR because of low amount of radioactive wastes and easy {sup 99}Mo/{sup 99m}Tc production process. For the development of domestic production, it is necessary to use the enriched {sup 98}MoO{sub 3}, which is very expensive, for high specific activity of {sup 99}Mo. A large amount of used PZC/PTC embraced {sup 98}Mo is also generated after the decay of {sup 99}Mo. JAEA and Taiyo Koko is proposed to recover molybdenum from the used PZC/PTC for an effective use of resources and reduction of radioactive wastes. Preliminary experiments of Mo recycling with un-irradiated MoO{sub 3} were carried out by the elution and sublimation methods. From the results, Mo recovery rate from the PZC/PTC was more than 95% by two kinds of methods. The prospects are bright for Mo recycle and reduction of radioactive wastes using these methods. (author)

  16. Nanostructured Mo-based electrode materials for electrochemical energy storage.

    Science.gov (United States)

    Hu, Xianluo; Zhang, Wei; Liu, Xiaoxiao; Mei, Yueni; Huang, Yunhui

    2015-04-21

    The development of advanced energy storage devices is at the forefront of research geared towards a sustainable future. Nanostructured materials are advantageous in offering huge surface to volume ratios, favorable transport features, and attractive physicochemical properties. They have been extensively explored in various fields of energy storage and conversion. This review is focused largely on the recent progress in nanostructured Mo-based electrode materials including molybdenum oxides (MoO(x), 2 ≤ x ≤ 3), dichalconides (MoX2, X = S, Se), and oxysalts for rechargeable lithium/sodium-ion batteries, Mg batteries, and supercapacitors. Mo-based compounds including MoO2, MoO3, MoO(3-y) (0 energy storage systems because of their unique physicochemical properties, such as conductivity, mechanical and thermal stability, and cyclability. In this review, we aim to provide a systematic summary of the synthesis, modification, and electrochemical performance of nanostructured Mo-based compounds, as well as their energy storage applications in lithium/sodium-ion batteries, Mg batteries, and pseudocapacitors. The relationship between nanoarchitectures and electrochemical performances as well as the related charge-storage mechanism is discussed. Moreover, remarks on the challenges and perspectives of Mo-containing compounds for further development in electrochemical energy storage applications are proposed. This review sheds light on the sustainable development of advanced rechargeable batteries and supercapacitors with nanostructured Mo-based electrode materials.

  17. Phase equilibria of the Mo-Al-Ho ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Yitai; Chen, Xiaoxian; Liu, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry

    2017-08-15

    Investigation into the reactions and phase equilibria of transition metal elements (i.e. Mo, Zr, Cr, V and Ti), Al and rare earths is academically and industrially important for the development of both refractory alloys and lightweight high-temperature materials. In this work, the equilibria of the Mo-Al-Ho ternary system at 773 K have been determined by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al{sub 4}Mo{sub 2}Ho has been found and the other ternary phase Al{sub 43}Mo{sub 4}Ho{sub 6} is observed. Ten binary phases in the Al-Mo and Al-Ho systems, including Al{sub 17}Mo{sub 4} rather than Al{sub 4}Mo, have been determined to exist at 773 K. The homogeneity ranges of AlMo{sub 3} and Al{sub 8}Mo{sub 3} phase are 7.5 at.% and 1 at.%, respectively. According to the phase-disappearing method, the maximum solubility of Al in Mo is about 16 at.%.

  18. 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

  19. In-situ fabrication of MoSi{sub 2}/SiC–Mo{sub 2}C gradient anti-oxidation coating on Mo substrate and the crucial effect of Mo{sub 2}C barrier layer at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Jun [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Gong, Qianming, E-mail: gongqianming@mail.tsinghua.edu.cn [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Shao, Yang; Zhuang, Daming [School of Materials Science and Engineering, Tsinghua University, Beijing 100084 (China); Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); State Key Laboratory of New Ceramics and Fine Processing, Beijing 100084 (China); Liang, Ji [Key Laboratory for Advanced Materials Processing Technology, Ministry of Education, Beijing 100084 (China); Department of Mechanical Engineering, Tsinghua University, Beijing 100084 (China)

    2014-07-01

    MoSi{sub 2}/SiC–Mo{sub 2}C gradient coating on molybdenum was in situ prepared with pack cementation process by two steps: (1) carburizing with graphite powder to obtain a Mo{sub 2}C layer on Mo substrate, and (2) siliconizing with Si powder to get a composite MoSi{sub 2}/SiC layer on the upper part of Mo{sub 2}C layer. The microstructure and elemental distribution in the coating were investigated with scanning electron microscopy (SEM), backscattered electron (BSE), energy dispersive spectroscopy (EDS), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Cyclic oxidation tests (at 500 °C, 1200 °C, 1400 °C and 1600 °C) demonstrated excellent oxidation resistance for the gradient composite coating and the mass loss was only 0.23% in 60 min at 1600 °C. XRD, EPMA, thermal dynamic and phase diagram analyses indicated that the Mo{sub 2}C barrier layer played the key role in slowing down the diffusion of C and Si toward inner Mo substrate at high temperature and principally this contributed to the excellent anti-oxidation for Mo besides the outer MoSi{sub 2}/SiC composite layer.

  20. In-situ fabrication of MoSi2/SiC–Mo2C gradient anti-oxidation coating on Mo substrate and the crucial effect of Mo2C barrier layer at high temperature

    International Nuclear Information System (INIS)

    Liu, Jun; Gong, Qianming; Shao, Yang; Zhuang, Daming; Liang, Ji

    2014-01-01

    MoSi 2 /SiC–Mo 2 C gradient coating on molybdenum was in situ prepared with pack cementation process by two steps: (1) carburizing with graphite powder to obtain a Mo 2 C layer on Mo substrate, and (2) siliconizing with Si powder to get a composite MoSi 2 /SiC layer on the upper part of Mo 2 C layer. The microstructure and elemental distribution in the coating were investigated with scanning electron microscopy (SEM), backscattered electron (BSE), energy dispersive spectroscopy (EDS), electron probe microanalysis (EPMA) and X-ray diffraction (XRD). Cyclic oxidation tests (at 500 °C, 1200 °C, 1400 °C and 1600 °C) demonstrated excellent oxidation resistance for the gradient composite coating and the mass loss was only 0.23% in 60 min at 1600 °C. XRD, EPMA, thermal dynamic and phase diagram analyses indicated that the Mo 2 C barrier layer played the key role in slowing down the diffusion of C and Si toward inner Mo substrate at high temperature and principally this contributed to the excellent anti-oxidation for Mo besides the outer MoSi 2 /SiC composite layer.

  1. Thematic mapper studies band correlation analysis

    Science.gov (United States)

    Ungar, S. G.; Kiang, R.

    1976-01-01

    Spectral data representative of thematic mapper candidate bands 1 and 3 to 7 were obtained by selecting appropriate combinations of bands from the JSC 24 channel multispectral scanner. Of all the bands assigned, only candidate bands 4 (.74 mu to .80 mu) and 5 (.80 mu to .91 mu) showed consistently high intercorrelation from region to region and time to time. This extremely high correlation persisted when looking at the composite data set in a multitemporal, multilocation domain. The GISS investigations lend positive confirmation to the hypothesis, that TM bands 4 and 5 are redundant.

  2. Dust bands in the asteroid belt

    International Nuclear Information System (INIS)

    Sykes, M.V.; Greenberg, R.; Dermott, S.F.; Nicholson, P.D.; Burns, J.A.

    1989-01-01

    This paper describes the original IRAS observations leading to the discovery of the three dust bands in the asteroid belt and the analysis of data. Special attention is given to an analytical model of the dust band torus and to theories concerning the origin of the dust bands, with special attention given to the collisional equilibrium (asteroid family), the nonequilibrium (random collision), and the comet hypotheses of dust-band origin. It is noted that neither the equilibrium nor nonequilibrium models, as currently formulated, present a complete picture of the IRAS dust-band observations. 32 refs

  3. Grotrian diagrams for highly ionized molybdenum Mo VI through Mo XLII

    International Nuclear Information System (INIS)

    Shirai, Toshizo; Sugar, J.; Wiese, W.L.

    1997-07-01

    Grotrian diagrams are presented to provide graphical overviews for 1,930 spectral lines of highly ionized molybdenum, Mo VI through Mo XLII. In the usual diagram display such as that by Bashkin and Stoner (North-Holland, Amsterdam, 1975), the density of transitions is often too high to allow each transition to be drawn separately. Here in our modified diagrams, the transitions are also represented by lines connecting the upper and lower energy levels, but the lower energy levels are extended and repeated for successive configurations as needed. As a sequence, dense packing is avoided and all lines in a multiplet can be accommodated. (author)

  4. 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.)

  5. Study on the Effect of Secondary Banded Structure on the Fatigue Property of Non-Quenched and Tempered Micro Alloyed Steel

    Science.gov (United States)

    Yajie, Cheng; Qingliang, Liao; Yue, Zhang

    Due to composition segregation and cooling speed, streamline or banded structure were often obtained in the thermal forming parts along the direction of parts forming. Generally speaking, banded structure doesn't decrease the longitudinal mechanical properties, so the secondary banded structure can't get enough attention. The effect of secondary banded structure on the fatigue properties of micro alloyed DG20Mn and 35CrMo steel was investigated using the axial tensile fatigue test of stress ratio of 0.1. The result shows that secondary banded structure was obtained in the center of the steel parts, because of the composition segregation and the lower cooling rate in center part of steel. Secondary banded structure has no significant effect on axial tensile properties of both DG20Mn and 35CrMo, but decreases the axial tensile fatigue performance of DG20Mn steel. This study suggests that under the high cyclic tensile stress, multi-source damage cracks in steel initiated by large strain of pearlite of secondary banded structure, which is larger than damage strain, is the major factor of the decrease of fatigue life of steel.

  6. 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.

  7. Synthesis of MoS₂ nano-petal forest supported on carbon nanotubes for enhanced field emission performance

    Energy Technology Data Exchange (ETDEWEB)

    Murawala, Aditya P.; Loh, Tamie A. J.; Chua, Daniel H. C., E-mail: msechcd@nus.edu.sg [Department of Materials Science and Engineering, National University of Singapore, Singapore 117576 (Singapore)

    2014-09-21

    We report the fabrication of a three-dimensional forest of highly crystalline two-dimensional (2D) molybdenum disulfide (MoS₂) nano-petals encapsulating vertically aligned carbon nanotubes (CNT) in a core-shell configuration. Growth was conducted via magnetron sputtering at room temperature and it was found that the nano-petal morphology was formed only when a critical threshold in sputter deposition time was reached. Below this threshold, an amorphous tubular structure composed of mainly molybdenum oxides dominates instead. The presence of the MoS₂ nano-petals was shown to impart photoluminescence to the CNTs, in addition to significantly enhancing their electron emission properties, where the turn-on field was lowered from 2.50 Vμm⁻¹ for pristine CNTs to 0.80 Vμm⁻¹ for MoS₂-CNT heterostructures fabricated at 30 min sputter deposition time. Photoluminescence was detected at wavelengths of approximately 684 nm and 615 nm, with the band at 684 nm gradually blue-shifting as sputter time was increased. These results demonstrate that it is possible to synthesize 2D MoS₂ layers without the need for chemical routes and high growth temperatures.

  8. 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.

  9. Local Conduction in Mo xW1- xSe2: The Role of Stacking Faults, Defects, and Alloying.

    Science.gov (United States)

    Bampoulis, Pantelis; Sotthewes, Kai; Siekman, Martin H; Zandvliet, Harold J W

    2018-04-18

    Here, we report on the surface conductivity of WSe 2 and Mo x W 1- x Se 2 (0 ≤ x ≤ 1) crystals investigated with conductive atomic force microscopy. We found that stacking faults, defects, and chemical heterogeneities form distinct two-dimensional and one-dimensional conduction paths on the transition metal dichalcogenide surface. In the case of WSe 2 , in addition to step edges, we find a significant amount of stacking faults (formed during the cleaving process) that strongly influence the surface conductivity. These regions are attributed to the alternation of the 2H and 3R polytypism. The stacking faults form regular 2D patterns by alternation of the underlying stacking order, with a periodicity that varies significantly between different regions and samples. In the case of Mo x W 1- x Se 2 , its conductivity has a localized nature, which depends on the underlying chemical composition and the Mo/W ratio. Segregation to W-rich and Mo-rich regions during the growth process leads to nonuniform conduction paths on the surface of the alloy. We found a gradual change of the conductivity moving from one region to the other, reminiscent of lateral band bending. Our results demonstrate the use of C-AFM as a nanoscopic tool to probe the electrical properties of largely inhomogeneous samples and show the complicated nature of the surface conductivity of TMDC alloys.

  10. Synthesis of MoS2-reduced graphene oxide/Fe3O4 nanocomposite for enhanced electromagnetic interference shielding effectiveness

    Science.gov (United States)

    Prasad, Jagdees; Singh, Ashwani Kumar; Shah, Jyoti; Kotnala, R. K.; Singh, Kedar

    2018-05-01

    This article presents a facile two step hydrothermal process for the synthesis of MoS2-reduced graphene oxide/Fe3O4 (MoS2-rGO/Fe3O4) nanocomposite and its application as an excellent electromagnetic interference shielding material. Characterization tools like; scanning electron microscope, transmission electron microscope, x-ray diffraction, and Raman spectroscopy were used to confirm the formation of nanocomposite and found that spherical Fe3O4 nanoparticles are well dispersed over MoS2-rGO composite with average particle size ∼25–30 nm was confirmed by TEM. Structural characterization done by XRD was found inconsistent with the known lattice parameter of MoS2 nanosheet, reduced graphene oxide and Fe3O4 nanoparticles. Electromagnetic shielding effectiveness of MoS2-rGO/Fe3O4 nanocomposite was evaluated and found to be an excellent EMI shielding material in X-band range (8.0–12.0 GHz). MoS2-rGO composite shows poor shielding capacity (SET ∼ 3.81 dB) in entire range as compared to MoS2-rGO/Fe3O4 nanocomposite (SET ∼ 8.27 dB). It is due to interfacial polarization in the presence of EM field. The result indicates that MoS2-rGO/Fe3O4 nanocomposite provide a new stage for the next generation in high-performance EM wave absorption and EMI shielding effectiveness.

  11. Enhanced orange-red emission by using Mo codoped in Ba2CaWO6: Eu3+, Li+ phosphor under near UV excitation

    International Nuclear Information System (INIS)

    Sun, Xiaoyuan; Hao, Zhendong; Li, Chunjie; He, Xiaoguang; Qi, Haiyan; Yu, Lijun; Luo, Yongshi; Zhang, Jiahua; Gao, Jiwei; Zhong, Ruixia

    2013-01-01

    The orange-red emitting phosphors Ba 2 Ca 0.9 Mo x W 1−x O 6 :Eu 3+ 0.05 , Li + 0.05 (x=0, 0.05, 0.1, 0.15, 0.2, 0.25, 0.5, 0.75, and 1.0) and Ba 2 Ca 1−2y Mo 0.2 W 0.8 O 6 :Eu 3+ y , Li + y (y=0.03, 0.05, 0.07, 0.1, and 0.15) were synthesized. The crystalline structure and photoluminescence properties of these phosphors were described. The strong orange-red emission of Eu 3+ ( 5 D 0 — 7 F 1 transition) at around 593 nm was observed. Addition of Mo strongly enhances the charge transfer band absorption in the near ultraviolet region that corresponds to near ultraviolet white light emitting diode. The dependence of photoluminescence intensities on Eu 3+ concentrations with optimal Mo concentration under 400 nm excitation was studied. The phosphor is considered to be a promising orange-red emitting phosphor for near ultraviolet GaN-based white light emitting diode. - Highlights: ► The samples form solid solutions when Mo is added into Ba 2 CaWO 6 : Eu 3+ , Li + phosphors. ► Addition of Mo in Ba 2 CaWO 6 : Eu 3+ , Li + shifts the PLE spectra maximum from UV region to near UV region. ► In Ba 2 CaMo x W 1−x O 6 :Eu 3+ , Li + , the most efficient concentrations occur at 0.1 and 0.2 for Eu and Mo.

  12. Table of members of quasi-bands

    International Nuclear Information System (INIS)

    Sakai, Mitsuo.

    1984-04-01

    The probable members of the quasi-bands in even-even nuclei for Z between 6 and 100 are listed in this table. The terms quasi-bands have been introduced in the so-called spherical regions as the counter parts of the collective bands in the deformed regions. In the present compilation, the data for deformed nuclei are classified for convenience under the same titles, Quasi-Ground Band, Quasi-Beta Band and Quasi-Gamma Band, as are used for other nuclear regions. The present edition covers the literature through September, 1983. Fifteen newly discovered nuclides are included. The classification of energy level into quasi-bands is made on the basis of the systematic trend in the data over large groups of nuclei. (Kato, T.)

  13. A Novel Ku-Band/Ka-Band and Ka-Band/E-Band Multimode Waveguide Couplers for Power Measurement of Traveling-Wave Tube Amplifier Harmonic Frequencies

    Science.gov (United States)

    Wintucky, Edwin G.; Simons, Rainee N.

    2015-01-01

    This paper presents the design, fabrication and test results for a novel waveguide multimode directional coupler (MDC). The coupler, fabricated from two dissimilar frequency band waveguides, is capable of isolating power at the second harmonic frequency from the fundamental power at the output port of a traveling-wave tube (TWT) amplifier. Test results from proof-of-concept demonstrations are presented for a Ku-band/Ka-band MDC and a Ka-band/E-band MDC. In addition to power measurements at harmonic frequencies, a potential application of the MDC is in the design of a satellite borne beacon source for atmospheric propagation studies at millimeter-wave (mm-wave) frequencies (Ka-band and E-band).

  14. Radiochemical purity of Mo and Tc solution obtained after irradiation and dissolution of Mo-100-enriched and ultra-high-purity natural Mo disks

    Energy Technology Data Exchange (ETDEWEB)

    Tkac, Peter [Argonne National Lab. (ANL), Argonne, IL (United States); Gromov, Roman [Argonne National Lab. (ANL), Argonne, IL (United States); Chemerisov, Sergey D. [Argonne National Lab. (ANL), Argonne, IL (United States); Rotsch, David A. [Argonne National Lab. (ANL), Argonne, IL (United States); Vandegrift, George F. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-09-01

    Four irradiations of ultra-high-purity natural Mo targets and one irradiation using 97.4% Mo-100-enriched material were performed. The purpose of these irradiations was to determine whether the presence of Sn stabilizer in the H2O2 used for the dissolution of sintered Mo disks can affect the radiochemical purity of the final K2MoO4 in 5M KOH solution. Results from radiochemical purity tests performed using thin-layer paper chromatography show that even 2– 3× excess of Sn-stabilized H2O2 typically used for dissolution of sintered Mo disks did not affect the radiochemical purity of the final product.

  15. Structural, compositional and optical properties of spin coated MoO3 thin film

    Science.gov (United States)

    Jain, Vishva; Shah, Dimple; Patel, K. D.; Zankat, Chetan

    2018-05-01

    The attraction towards the MoO3 thin film is due to its wide range of application base on its properties. Its application in the field of energy storage and conversion as a cathode material for rechargeable lithium ion battery, hole selective layer in solar cell and in pseudocapacitors makes it more attractive material. Taking in consideration, economical route and tailoring advantage of film formation we have used spin coating method for the synthesis of the film with Ammonium heptamolybdate (NH4)6Mo7O24 4H2O) and distilled water as the precursor and solvent respectively on the glass substrate. The method also provides the large area synthesis of the film which is beneficial for the commercial applications. The film was spin coated at 1600 rpm with 4 % weight per volume ratio. The film so formed was annealed at 300 °C for 3 hours. The structural investigation was done by the X-Ray diffraction technique which shows the thin film of polycrystalline type. The average crystallize size is about 50 nm. The composition of the film was studied with the help of EDAX. The optical properties were studied by the photoluminescence and UV Spectroscopy. The results from both the characterization are well matched with each other. Photoluminescence studies show band to band emission observed at 416 nm shown in the fig. 5. From UV spectroscopy, using transmission and absorption spectra we observed the band gap edge around 3 eV. This is in accordance with the photoluminescence result.

  16. Dual-band frequency selective surface with large band separation and stable performance

    Science.gov (United States)

    Zhou, Hang; Qu, Shao-Bo; Peng, Wei-Dong; Lin, Bao-Qin; Wang, Jia-Fu; Ma, Hua; Zhang, Jie-Qiu; Bai, Peng; Wang, Xu-Hua; Xu, Zhuo

    2012-05-01

    A new technique of designing a dual-band frequency selective surface with large band separation is presented. This technique is based on a delicately designed topology of L- and Ku-band microwave filters. The two band-pass responses are generated by a capacitively-loaded square-loop frequency selective surface and an aperture-coupled frequency selective surface, respectively. A Faraday cage is located between the two frequency selective surface structures to eliminate undesired couplings. Based on this technique, a dual-band frequency selective surface with large band separation is designed, which possesses large band separation, high selectivity, and stable performance under various incident angles and different polarizations.

  17. Facile synthesis of stable structured MoS{sub 2}-Mo-CNFs heteroarchitecture with enhanced hydrogen evolution

    Energy Technology Data Exchange (ETDEWEB)

    Mo, Qionghua [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Faculty of Material and Energy, South West University, Chongqing 400700 (China); Yao, Yucen [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Liu, Bitao, E-mail: liubitao007@163.com [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Peng, Lingling; Yan, Hengqing; Hou, Zhupei; Wang, Jun [Research Institute for New Materials Technology, Chongqing University of Arts and Sciences, Chongqing 402160 (China); Lin, Yue, E-mail: linyue@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale, University of Science and Technology of China, Anhui 230026 (China)

    2017-06-01

    3D structured MoS{sub 2} are grown in-situ on Mo particles embedded carbon nanofibers (CNFs) via a hydrothermal method. Due to this special structure, the bonding and effective electron delivery between CNFs and MoS{sub 2} are both enhanced, and which will exhibits a better hydrogen evolution activity. The onset potential of this MoS{sub 2}-Mo-CNFs catalyst will decreased to 60 mV compared to the 90 mV for the MoS{sub 2}-CNFs. And its current density nearly no change with 5000 cycles which is better than the 32.3% decrease of MoS{sub 2}-CNFs at η = 300 mV (V vs RHE). - Highlights: • Newly structured MoS{sub 2}-Mo-CNFs with effectively connection between MoS{sub 2} and CNFs successfully synthesized. • This structure can enhance the charge transfer and significantly increase electrocatalytic efficiency. • Nearly no HER activity loss after 5000 CV cycles.

  18. Effect of unlabelled monoclonal antibody (MoAb) on biodistribution of /sup 111/Indium labelled (MoAb)

    Energy Technology Data Exchange (ETDEWEB)

    Lamki, L M; Murray, J L; Rosenblum, M G; Patt, Y Z; Babaian, Richard; Unger, M W

    1988-08-01

    We have evaluated immunoscintigraphy in cancer patients using four /sup 111/In-labelled murine monoclonal antibodies (MoAb): 96.5 (anti-P97 of melanoma), ZME-018 (anti-high molecular weight antibody of melanoma), ZCE-025 (anti-CEA for colon cancer) and PAY-276 (anti-prostatic acid phosphatase for prostatic cancer). The effect of increasing the doses of unlabelled MoAb (co-infused with 1 mg labelled MoAb) on the relative body distribution of each labelled MoAb was assessed. Localization in the liver decreased significantly in all cases, with increasing MoAb dose, except for ZME-018. Localization in other organs increased significantly as the liver activity decreased. The spleen activity, however, fell in the case of MoAb ZME-018. Blood-pool activity increased with MoAb dose in all four MoAbs. These findings correlated with the rise in the detection rate of metastases, the plasma half-life, and other pharmacokinetic parameters. However, the dose level at which this correlation occurred varied with each antibody. These data demonstrate the co-infusion of unlabelled MoAb with /sup 111/In-labelled MoAb could alter the organ distribution, pharmacokinetics and tumour uptake in a favourable manner, though the degree to which this occurs depends on the antibody in question.

  19. Photo-transmutation of {sup 100}Mo to {sup 99}Mo with Laser-Compton Scattering Gamma-ray

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jiyoung; Rehman, Haseeb ur; Kim, Yonghee [KAIST, Daejeon (Korea, Republic of)

    2016-10-15

    This paper presents a photonuclear transmutation method using laser Compton scattering (LCS) gamma-ray beam. Potential production rate (reaction rate) of 99Mo using the photonuclear (γ,n) reaction is evaluated. Rigorous optimization of the LCS spectrum has also been performed to maximize production of the 99Mo. Cyclotron proton accelerators are used worldwide to produce many short-living medical isotopes. However, few are capable of producing Mo-99 and none are suitable for producing more than a small fraction of the required amounts. More than 90% of the world's demand of 99Mo is sourced from five nuclear reactors. Two of these reactors have already been decommissioned and the rest are more than 45 years old. Relatively short half-life of the parent 99Mo requires continuous re-supply to meet the requirements of medical industry. Therefore, there is an urgent need to produce the 99Mo and 99mTc isotopes by alternative ways. One such alternative is giant dipole resonance (GDR) based photonuclear transmutation of 100Mo to 99Mo. For 99Mo production with the LCS photons using GDR-based (γ,n) reaction, the gamma-ray energy should be around 15 MeV. This study indicates that optimization of LCS spectrum by varying the electron and laser energies within practical limits can enhance the transmutation of Mo-100 to M-99 quite significantly. It has been found that irradiation time should be rather short, e.g., less than 6 hours, to maximize the weekly production of Mo-99 in the GDR-based Mo-99 production facility using the LCS photons. The analysis shows that production of 99Mo using a high-performance LCS facility offers a potentially-promising alternative for the production of 99mTc.

  20. 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.

  1. Na2MoO2As2O7

    Directory of Open Access Journals (Sweden)

    Raja Jouini

    2012-12-01

    Full Text Available Disodium molybdenum dioxide diarsenate, Na2MoO2As2O7, has been synthesized by a solid-state reaction. The structure is built up from MoAs2O12 linear units sharing corners to form a three-dimensional framework containing tunnels running along the a-axis direction in which the Na+ cations are located. In this framework, the AsV atoms are tetrahedrally coordinated and form an As2O7 group. The MoVI atom is displaced from the center of an octahedron of O atoms. Two Na+ cations are disordered about inversion centres. Structural relationships between different compounds: A2MoO2As2O7 (A = K, Rb, AMOP2O7 (A = Na, K, Rb; M = Mo, Nb and MoP2O7 are discussed.

  2. Atomic scale onset of Al adhesion on Mo2BC

    International Nuclear Information System (INIS)

    Bolvardi, Hamid; Music, Denis; Schneider, Jochen M.

    2015-01-01

    We have explored interfacial interactions between a Mo–C terminated Mo 2 BC(040) surface and an Al cluster using ab initio molecular dynamics. The Al cluster is disrupted and wets the Mo 2 BC(040) surface. This can be understood based on the electronic structure. Across the Al–MoC interface C s–Al s hybridized states are formed. These bonds are stronger than the Al–Al intra-cluster bonds. Hence, the onset of Al adhesion is caused by bond formation across the Al–MoC interface. - Highlights: • Interfacial interactions between Mo 2 BC and an Al cluster were explored. • Al forms bonds to C constituting the onset of Al adhesion on Mo 2 BC. • These data are relevant for other carbide coatings

  3. U-Mo fuel qualification program in HANARO

    International Nuclear Information System (INIS)

    Lee, K.H.; Lee, C.S.; Kim, H.R.; Kuk, I.H.; Kim, C.K.

    2000-01-01

    Atomized U-Mo fuel has shown good performance from the results of previous out-of-pile tests and post-irradiation examinations. A qualification program of rod type U-Mo fuel is in progress and the fuel will be irradiated in HANARO. 6 gU/cm 3 U-7Mo, U-8Mo and U-9Mo are considered in this program. The laboratory test results of porosity, mechanical property, thermal conductivity, and thermal compatibility test are discussed in this paper. In parallel with this qualification program, the feasibility study on the core conversion from the present U 3 Si fuel to U-Mo in HANARO will be initiated to provide technical bases for the policy making. Several options of core conversion for HANARO are proposed and each option will be addressed briefly in terms of the operation policy, fuel management, and licensing of HANARO. (author)

  4. Photonic band gap structure simulator

    Science.gov (United States)

    Chen, Chiping; Shapiro, Michael A.; Smirnova, Evgenya I.; Temkin, Richard J.; Sirigiri, Jagadishwar R.

    2006-10-03

    A system and method for designing photonic band gap structures. The system and method provide a user with the capability to produce a model of a two-dimensional array of conductors corresponding to a unit cell. The model involves a linear equation. Boundary conditions representative of conditions at the boundary of the unit cell are applied to a solution of the Helmholtz equation defined for the unit cell. The linear equation can be approximated by a Hermitian matrix. An eigenvalue of the Helmholtz equation is calculated. One computation approach involves calculating finite differences. The model can include a symmetry element, such as a center of inversion, a rotation axis, and a mirror plane. A graphical user interface is provided for the user's convenience. A display is provided to display to a user the calculated eigenvalue, corresponding to a photonic energy level in the Brilloin zone of the unit cell.

  5. MoRM and Future Memories

    DEFF Research Database (Denmark)

    Rehder, Mads Middelboe; Ostrowski, Kasper

    2017-01-01

    for the experimental workshop we lunged into a process of devising both an interactive exhibition and an installation which explored the ‘big data’ citizens regularly produce in their everyday lives and how this data might be archived, packaged, and recycled - or even forgotten, primarily within social media. We...... wanted to explore what our daily routines connected to social media and sorting our data meant for the way we shape our memories, and therefore the traces of future memories. In this chapter we follow the trajectory of the exhibition entitled ‘MoRM’ (Museum of Random Memories)....

  6. Broad-band beam buncher

    International Nuclear Information System (INIS)

    Goldberg, D.A.; Flood, W.S.; Arthur, A.A.; Voelker, F.

    1986-01-01

    This patent describes a broad-band beam buncher. This beam buncher consists of: a housing adapted to be eacuated, an electron gun in the housing for producing a beam of electrons, buncher means in the housing forming a buncher cavity which has an entrance opening for receiving the electron beam and an exit opening through which the electron beam passes out of the buncher cavity, a drift tube electrode in the buncher cavity and disposed between the entrance opening and the exit opening with first and second gaps between the drift tube electrode and the entrance and exit openings, the drift tube electrode which has a first drift space through which the electron beam passes in traveling between the entrance and exit openings, modulating means for supplying an ultrahigh frequeny modulating signal to the drift tube electrode for producing velocity modulation of the electrons in the electron beam as the electrons pass through the buncher cavity and the drift tube electrode between the entrance opening and the exit opening, drift space means in the housing forming a second drift space for receiving the velocity modulated electron beam from the exit opening, the velocity modulated electron beam being bunched as it passes along the second drift space, the drift space means has a discharge opening through which the electron beam is discharged from the second drift space after being bunched therein, the modulating means containing a signal source for producing an ultrahigh frequency signal, a transmission line connected between the signal source and the drift tube electrode, and terminating means connected to the drift tube electrode for terminating the transmission line in approximately its characteristic impedance to afford a broad response band with minimum 6 variations therein

  7. Ordering in rapidly solidified Ni/sub 2/Mo

    International Nuclear Information System (INIS)

    Kulkarni, U.D.; Dey, G.K.; Banerjee, S.

    1988-01-01

    Ordering processes in the Ni-Mo system have been a subject of several investigations. Although the ordering behaviour of the Ni/sub 4/Mo and the Ni/sub 3/Mo has been examined in detail, no such study has been reported in the case of the Ni/sub 2/Mo alloy. The lack of experimental work on ordering transformations in Ni/sub 2/Mo is presumably due to the difficulty in obtaining a single phase fcc alloy of this composition. Enhanced solid solubility of Mo in Ni, which accompanies rapid solidification processing (RSP) makes the formation of such a phase possible. The ordering processes in Ni-Mo based alloys show several remarkable features. Firstly, the alloy (15 - 28 at % Mo) quenched from the α -phase filed exhibit a short range order (SRO) characterized by the presence of intensity maxima at /1 1/2 0/ fcc positions of the reciprocal space. This state of SRO has been attributed to the occurrence of 1 1/2 O spinodal ordering in the system. Secondly, the transformation from the state of SRO to the equilibrium/metastable coherent long range ordered (LRO) structures appears to take place in a continuous manner at relatively low temperatures of aging. Three different coherent LRO structures, namely: the equilibrium Ni/sub 4/Mo (prototype structure D1/sub a/) and the metastable Ni/sub 3/Mo (DO/sub 22/) and Ni/sub 2/Mo (Pt/sub 2/Mo) structures have reported to evolve from the SRO alloy, depending upon the aging treatment and the composition of the alloy

  8. Computational identification of MoRFs in protein sequences.

    Science.gov (United States)

    Malhis, Nawar; Gsponer, Jörg

    2015-06-01

    Intrinsically disordered regions of proteins play an essential role in the regulation of various biological processes. Key to their regulatory function is the binding of molecular recognition features (MoRFs) to globular protein domains in a process known as a disorder-to-order transition. Predicting the location of MoRFs in protein sequences with high accuracy remains an important computational challenge. In this study, we introduce MoRFCHiBi, a new computational approach for fast and accurate prediction of MoRFs in protein sequences. MoRFCHiBi combines the outcomes of two support vector machine (SVM) models that take advantage of two different kernels with high noise tolerance. The first, SVMS, is designed to extract maximal information from the general contrast in amino acid compositions between MoRFs, their surrounding regions (Flanks), and the remainders of the sequences. The second, SVMT, is used to identify similarities between regions in a query sequence and MoRFs of the training set. We evaluated the performance of our predictor by comparing its results with those of two currently available MoRF predictors, MoRFpred and ANCHOR. Using three test sets that have previously been collected and used to evaluate MoRFpred and ANCHOR, we demonstrate that MoRFCHiBi outperforms the other predictors with respect to different evaluation metrics. In addition, MoRFCHiBi is downloadable and fast, which makes it useful as a component in other computational prediction tools. http://www.chibi.ubc.ca/morf/. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  9. Atomic structure calculations of Mo XV-XL

    International Nuclear Information System (INIS)

    Kubo, Hirotaka; Sugie, Tatsuo; Shiho, Makoto; Suzuki, Yasuo; Ishii, Keishi; Maeda, Hikosuke.

    1986-06-01

    Energy levels and oscillator strengths were calculated for Mo XV - Mo XL. The computer program for atomic structure calculation, developed by Dr. Robert D. Cowan, Los Alamos National Laboratory, was used in the present work. The scaled energy parameters were empirically determined from the observed spectral data. We present wavelengths and transition probabilities of Mo XV-XL. Energy levels and spectral patterns are presented in figures that are useful for the identification of spectral lines. (author)

  10. First-principles investigations of disorder effects on electronic structure and magnetic properties in Sr2CrMoO6

    International Nuclear Information System (INIS)

    Li, Q F; Zhu, X F; Chen, L F

    2008-01-01

    The electronic structures and magnetic properties are reported for ordered and disordered Sr 2 CrMoO 6 presenting oxygen vacancies or/and antisite defects (ASs). We investigate the stability of an antiparallel (AP) magnetic moment on Cr antisites and the calculations show that these solutions are more stable relative to the parallel solution for AS defects with or without oxygen vacancies. Electronic band structure calculations indicate that the perfect Sr 2 CrMoO 6 is half-metallic, and the half-metallic character is preserved for Sr 2 CrMoO 6 containing only oxygen vacancies, while the half-metallic nature is destroyed when 25% ASs (50% ASs) with or without oxygen vacancies is present. For 25% ASs with two oxygen vacancies, the system possibly shows nonmetallic behavior. The experimentally observed reduction of the magnetic moment mainly arises from an antiferromagnetic coupling of Cr-O-Cr (Cr-Cr) bonds in a disordered sample

  11. Enhanced photocatalytic activity of Te-doped Bi{sub 2}MoO{sub 6} under visible light irradiation: Effective separation of photogenerated carriers resulted from inhomogeneous lattice distortion and improved electron capturing ability

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Shuguang, E-mail: csustcsg@yahoo.com; Li, Yuhan; Wu, Zixu; Wu, Baoxin; Li, Haibin; Li, Fujin

    2017-05-15

    Te-doped Bi{sub 2}MoO{sub 6} photocatalyst was hydrothermally synthesized, and nonmetal atoms Te were homogeneously incorporated into Bi{sub 2}MoO{sub 6} lattice with the substitution of Te{sup 4+} to Mo{sup 6+}. With increasing Te-doping concentration in Bi{sub 2}MoO{sub 6}, no detectable band-gap narrowing but more and more severe inhomogeneous lattice distortions were determined. The activity of Bi{sub 2}MoO{sub 6} photocatalyst was evaluated through methylene blue degradation under visible light irradiation (λ>410 nm) and was greatly enhanced by Te-doping. When Te-doped Bi{sub 2}MoO{sub 6} was synthesized at Te/Mo molar ratio of 7.5%, a maximum first-order rate constant of methylene blue degradation was obtained. The inhomogeneous lattice distortion generated an internal dipole moment, and the holes generated with the substitution of Te{sup 4+} to Mo{sup 6+} acted as the capturing centers of photogenerated electrons, thus the effective separation of photogenerated carriers was facilitated to result in a relatively high concentration of holes on the surface of Te-doped Bi{sub 2}MoO{sub 6} to be favorable for the efficient methylene blue degradation. - Graphical abstract: With the substitution of Te{sup 4+} to Mo{sup 6+}, effective separation of photogenerated carriers resulted from inhomogeneous lattice distortion and improved electron capturing ability is achieved to be responsible for enhanced photocatalytic activity of Te-doped Bi{sub 2}MoO{sub 6}. - Highlights: • Nonmetal Te is incorporated into Bi{sub 2}MoO{sub 6} with the substitution of Te{sup 4+} to Mo{sup 6+}. • Revealing inhomogeneous lattice distortion and improved electron capturing ability. • Effective separation of photogenerated carriers in Te-doped Bi{sub 2}MoO{sub 6} is achieved. • The mechanism of methylene blue degradation over Te-doped Bi{sub 2}MoO{sub 6} is proposed.

  12. Intermediate report of MoReMo. Modelling resilience for maintenance and outage

    Energy Technology Data Exchange (ETDEWEB)

    Oedewald, P.; Macchi, L. (VTT Technical Research Centre of Finland (Finland)); Axelsson, C. (Ringhals AB, Vattenfall AB (Sweden)); Eitrheim, M.H.R. (Institute for Energy Technology (Norway))

    2012-02-15

    Resilience Engineering (RE) is a new approach to safety that helps organisations and individuals adapt to unforeseen events and long-term changes. Such an approach is needed by nuclear power plants (NPPs) as they face demanding modification projects, high staff turnover and increased pressures to maintain and improve safety. The goal of the Modelling Resilience for Maintenance and Outage (MoReMO) project is to develop and test models and methods to identify and analyse resilience in safety-critical activities in natural everyday settings. In 2011, we have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. The project has collected data through observations, interviews and document reviews at two NPPs. Together, the four approaches have provided valuable insights for understanding the rationale behind work practices, their effects on safety, and the support of flexibility and adaptability. In 2012, the MoReMO project will complete the data collection and integrate results on how resilience can be operationalized in practical safety management tools for the companies. (Author)

  13. Sheet-like of Mo –Sm assembly containing [Mo (CN)8 ] and Sm ions ...

    Indian Academy of Sciences (India)

    Administrator

    421–427. © Indian Academy of Sciences. 421 ... Department of Chemistry, Nankai University, Tianjin, 300071, PR China e-mail: ... [Mo(CN)8]3– building blocks, this paper details the ..... 20601014), and National Basic Research Program of.

  14. IEA Mobility Model (MoMo) and its use in the ETP 2008

    International Nuclear Information System (INIS)

    Fulton, Lew; Cazzola, Pierpaolo; Cuenot, Francois

    2009-01-01

    The IEA published 'Energy Technology Perspectives' (ETP) in June 2008. That document reports on IEA scenarios for baseline and low-CO 2 alternative scenarios to 2050, across the energy economy. The study included creating scenarios for transport, using the IEA Mobility Model (MoMo). This paper reports on the transport-related ETP scenarios and describes the model used in the analysis. According to the ETP Baseline scenario, world transport energy use and CO 2 emissions will more than double by 2050. In the most challenging scenario, called 'BLUE', transport emissions are reduced by 70% in 2050 compared to their baseline level in that year (and about 25% below their 2005 levels). There are several versions of the BLUE scenario, but all involve: a 50% or greater improvement in LDV efficiency, 30-50% improvement in efficiency of other modes (e.g. trucks, ships and aircraft), 25% substitution of liquid fossil fuels by biofuels, and considerable penetration of electric and/or fuel-cell vehicles. In the second half of this paper, an overview of the MoMo model is provided. Details on the complete analysis are contained in the ETP 2008 document, available at (www.iea.org). Details of the LDV fuel economy analysis are contained in a separate paper in this collection.

  15. Intermediate report of MoReMo. Modelling resilience for maintenance and outage

    International Nuclear Information System (INIS)

    Oedewald, P.; Macchi, L.; Axelsson, C.; Eitrheim, M.H.R.

    2012-02-01

    Resilience Engineering (RE) is a new approach to safety that helps organisations and individuals adapt to unforeseen events and long-term changes. Such an approach is needed by nuclear power plants (NPPs) as they face demanding modification projects, high staff turnover and increased pressures to maintain and improve safety. The goal of the Modelling Resilience for Maintenance and Outage (MoReMO) project is to develop and test models and methods to identify and analyse resilience in safety-critical activities in natural everyday settings. In 2011, we have applied four approaches in different case studies: Organisational Core Task modelling (OCT), Functional Resonance Analysis Method (FRAM), Efficiency Thoroughness Trade-Off (ETTO) analysis, and Work Practice and Culture Characterisation. The project has collected data through observations, interviews and document reviews at two NPPs. Together, the four approaches have provided valuable insights for understanding the rationale behind work practices, their effects on safety, and the support of flexibility and adaptability. In 2012, the MoReMO project will complete the data collection and integrate results on how resilience can be operationalized in practical safety management tools for the companies. (Author)

  16. Band 3 in aging and neurological disease.

    Science.gov (United States)

    Kay, M M

    1991-01-01

    Senescent cell antigen appears on old cells and marks them for death by initiating the binding of IgG autoantibody and subsequent removal by phagocytes in mammals and other vertebrates. We have created a synthetic aging antigen that blocks binding of IgG to senescent cells in vitro. Synthetic senescent cell antigen might be effective in preventing cellular destruction in vivo in certain diseases, and can be used to manipulate cellular life span in situ. Senescent cell antigen is generated by the modification of an important structural and transport membrane molecule, protein band 3. Band 3 is present in cellular, nuclear, Golgi, and mitochondrial membranes as well as in cell membranes. Band 3 proteins in nucleated cells participate in cell surface patching and capping. Band 3 maintains acid-base balance by mediating the exchange of anions (e.g., chloride, bicarbonate), and is the binding site for glycolytic enzymes. It is responsible for CO2 exchange in all tissues and organs. Thus, it is the most heavily used anion transport system in the body. Band 3 is a major transmembrane structural protein which attaches the plasma membrane to the internal cell cytoskeleton by binding to band 2.1 (ankyrin). Oxidation generates senescent cell antigen in situ. Band 3 is present in the central nervous system, and differences have been described in band 3 between young and aging brain tissue. One autosomal recessive neurological disease, choreoacanthocytosis, is associated with band 3 abnormalities. The 150 residues of the carboxyl terminus segment of band 3 appear to be altered. In brains from Alzheimer's disease patients, antibodies to aged band 3 label the amyloid core of classical plaques and the microglial cells located in the middle of the plaque in tissue sections, and an abnormal band 3 in immunoblots. Band 3 protein(s) in mammalian brain performs the same functions as that of erythroid band 3. These functions is anion transport, ankyrin binding, and generation of

  17. Cube-like Cu2MoS4 photocatalysts for visible light-driven degradation of methyl orange

    Directory of Open Access Journals (Sweden)

    Ke Zhang

    2015-07-01

    Full Text Available Cube-like Cu2MoS4 nanoparticles with low-index facets and high crystallinity were fabricated via a hydrothermal method. The as-obtained nanocubes with an average size of 40-60 nm are composed of stacking-Cu2MoS4 layers separated by a weak Van der Waals gap of 0.5 nm. A strong absorption at visible light region is observed in the nanocube aqueous solution, indicating its optical-band gap of 1.78 eV. The photocatalytic measurements reveal that the nanocubes can thoroughly induce the degradation of methyl orange under visible light irradiation with good structural stability. Our finding may provide a way in design and fabrication of transition metal dichalcogenide nanostructures for practical applications.

  18. Luminescence and luminescence quenching of Eu{sub 2}Mo{sub 4}O{sub 15}

    Energy Technology Data Exchange (ETDEWEB)

    Janulevicius, Matas; Grigorjevaite, Julija; Merkininkaite, Greta [Department of Analytical and Environmental Chemistry, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Sakirzanovas, Simas [Department of Applied Chemistry, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania); Katelnikovas, Arturas, E-mail: arturas.katelnikovas@chf.vu.lt [Department of Analytical and Environmental Chemistry, Vilnius University, Naugarduko 24, LT-03225 Vilnius (Lithuania)

    2016-11-15

    A polycrystalline Eu{sub 2}Mo{sub 4}O{sub 15} phosphor sample was prepared by high temperature solid state reaction. Phase purity and morphological features of the phosphor were investigated by X-ray diffraction and scanning electron microscopy, respectively. Reflectance spectra showed that the optical band gap of Eu{sub 2}Mo{sub 4}O{sub 15} is 2.95 eV. Phosphor emits intensive red light when excited with 394 and 465 nm radiation. Temperature dependent emission and luminescence lifetime measurements revealed that external and internal quantum yields decrease at the same rate and that luminescence quenches due to photoionization. The calculated external quantum yields for 394 and 465 nm excitation were 7.8% and 53.5%, respectively.

  19. Direct Fermi-surface image of hidden nesting for NaMo6O17 and KMo6O17

    International Nuclear Information System (INIS)

    Gweon, G.-.; Allen, J.W.; Clack, J.A.; Zhang, Y.X.; Poirier, D.M.; Benning, P.J.; Olson, C.G.; Marcus, J.; Schlenker, C.

    1997-01-01

    We report direct Fermi-surface images obtained with angle-resolved photoemission spectroscopy (ARPES) for NaMo 6 O 17 and KMo 6 O 17 above the charge-density wave transition temperatures. We also report ARPES spectra of the valence band of NaMo 6 O 17 . The images imply a Fermi surface (FS) based on three underlying quasi-one-dimensional (quasi-1D) surfaces. Thus it agrees in detail with that expected in the hidden nesting picture of Whangbo et al. [Science 252, 96 (1991)], but differs greatly from a FS deduced in a previous study by Breuer et al. [Phys. Rev. Lett. 76, 3172 (1996)], which found only two underlying quasi-1D surfaces. copyright 1997 The American Physical Society

  20. Synthesis, characterization and DFT calculations of electronic and optical properties of CaMoO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Bouzidi, Chaker, E-mail: bouzidtc@yahoo.fr [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Horchani-Naifer, Karima; Khadraoui, Zied [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Elhouichet, Habib [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia); Département de Physique, Faculté des Sciences de Tunis, Université de Tunis-ElManar ElManar, 2092 Tunis (Tunisia); Ferid, Mokhtar [Laboratoire de Physico-chimie des Matériaux Minéraux et leurs Applications, Centre National des Recherches en Sciences des Matériaux, BP No.73, 8027 Soliman (Tunisia)

    2016-09-15

    The electronic and optical properties of calcium molybdate (CaMoO{sub 4}) have been determined by X-ray diffraction, spectroscopic measurements and calculations of energy-band structures, density of states, and optical response functions by density functional theory. The chemical bonding analysis indicates that Mo–O bonds exhibit more covalent character than the Ca–O bond. The linear photon-energy-dependent dielectric functions, conductivity, refractive index, reflectivity and extinction coefficients were investigated and analyzed. The results are in agreement with previous theoretical works and the experimental data. Reflectivity spectra revealed that the CaMoO{sub 4} promises as good coating materials in the energy region of 9.3–11.6 eV with reflectivity larger than 75%.

  1. The dynamics of a shear band

    Science.gov (United States)

    Giarola, Diana; Capuani, Domenico; Bigoni, Davide

    2018-03-01

    A shear band of finite length, formed inside a ductile material at a certain stage of a continued homogeneous strain, provides a dynamic perturbation to an incident wave field, which strongly influences the dynamics of the material and affects its path to failure. The investigation of this perturbation is presented for a ductile metal, with reference to the incremental mechanics of a material obeying the J2-deformation theory of plasticity (a special form of prestressed, elastic, anisotropic, and incompressible solid). The treatment originates from the derivation of integral representations relating the incremental mechanical fields at every point of the medium to the incremental displacement jump across the shear band faces, generated by an impinging wave. The boundary integral equations (under the plane strain assumption) are numerically approached through a collocation technique, which keeps into account the singularity at the shear band tips and permits the analysis of an incident wave impinging a shear band. It is shown that the presence of the shear band induces a resonance, visible in the incremental displacement field and in the stress intensity factor at the shear band tips, which promotes shear band growth. Moreover, the waves scattered by the shear band are shown to generate a fine texture of vibrations, parallel to the shear band line and propagating at a long distance from it, but leaving a sort of conical shadow zone, which emanates from the tips of the shear band.

  2. Conceptual study of 99Mo production in JRR-3

    International Nuclear Information System (INIS)

    Hirose, Akira; Komeda, Masao; Kinase, Masami; Sorita, Takami; Wada, Shigeru

    2010-06-01

    We investigated the production process of 99 Mo, which is parent nuclide of 99m Tc, in JRR-3. 99m Tc is most commonly used as a radiopharmaceutical in the field of nuclear medicine. Currently the supplying of 99 Mo is only dependent on imports from foreign countries, so JAEA is aiming at domestic production of a part of 99 Mo in cooperation with the industrial arena. This report presents the technical study for the production process of 99 Mo by using the neutron radiation method of (n, γ) reaction in JRR-3. (author)

  3. Development of Commercial-scale Fission Mo-99 Production System

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung-Kon; Lee, Suseung; Hong, Soon-Bog; Jang, Kyung-Duk; Park, Ul Jael; Lee, Jun Sig [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2016-10-15

    These days, worldwide {sup 99} Mo supply is not only insufficient but also unstable. Because, most of the main {sup 99}Mo production reactors are more than years old and suffered from frequent and unscheduled shutdown. Therefore, movement to replace old reactors to keep stable supply is now active. Under these conditions, KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission {sup 99}Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission {sup 99}Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, {sup 99}Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. In this study, fission {sup 99}Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission {sup 99}Mo target will be done in 4th quarter of 2016. For the fission Mo production process development, hot experiments with irradiated LEU targets will be done in 4th quarter of 2016. Then, verification of the production process with quality control will be followed until the commercial production of fission {sup 99}Mo scheduled in 2019.

  4. 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.

  5. Synthesis of nanometre-thick MoO3 sheets

    Science.gov (United States)

    Kalantar-Zadeh, Kourosh; Tang, Jianshi; Wang, Minsheng; Wang, Kang L.; Shailos, Alexandros; Galatsis, Kosmas; Kojima, Robert; Strong, Veronica; Lech, Andrew; Wlodarski, Wojtek; Kaner, Richard B.

    2010-03-01

    The formation of MoO3 sheets of nanoscale thickness is described. They are made from several fundamental sheets of orthorhombic α-MoO3, which can be processed in large quantities via a low cost synthesis route that combines thermal evaporation and mechanical exfoliation. These fundamental sheets consist of double-layers of linked distorted MoO6 octahedra. Atomic force microscopy (AFM) measurements show that the minimum resolvable thickness of these sheets is 1.4 nm which is equivalent to the thickness of two double-layers within one unit cell of the α-MoO3 crystal.

  6. MoMoSat -- Mobile Service for Monitoring with GeoNotes via Satellite

    Energy Technology Data Exchange (ETDEWEB)

    Niemeyer, Irmgard [Forschungszentrum Juelich (Germany). Programme Group Systems Analysis and Technology Evaluation (STE); Jonas, Karl [Univ. of Applied Science Bonn-Rhein-Sieg, Sankt Augustin (Germany). FhG FOKUS CC SATCom; Horz, Alexander [horz informatik, Sankt Augustin (Germany); Wettschereck, Dietrich; Schmidt, Dirk [DIALOGIS GmbH, Bonn (Germany)

    2003-05-01

    The MoMoSat service will enable mobile end-users to view, manage, annotate, and communicate mapbased information in the field. The handled information exists of a huge volume of raster (satellite or aerial images) and vector data (i.e. street networks, cadastral maps or points of interest), as well as text-specific geo-referenced textual notes (the so-called 'GeoNotes') and real-time voice. A secure real-time communication between mobile units and the primary data store is an essential task of the MoMoSat service. The basic information is stored in the primary database that is accessible through a virtual private network (VPN) and cached at a server at a base station in order to ensure data availability. The base station may be installed in a car or another mobile vehicle. The two servers will periodically communicate with each other via secure satellite communication in order to check for updates. The base station supplies the relevant GIS data for the mobile units (people or even robots in the field at remote solutions). The communication between the mobile units is based on a peer-to-peer wireless local area network (WLAN) architecture. The mobile units are equipped with mobile computers (i.e. laptop, tablet PC or PDA) combined with a satellite-based positioning system (GPS) that enables them to request the proper geographic data sets from yhe base station's map server. An interactive mapping software shows the actual location on the map and allows the user to navigate (zoom, pan) through the high-resolution map display. The user can switch 'on' or 'off' several thematic layers (i.e. street network or points of interest) on the map. The software also supports collaborative aspects of MoMoSat by offering tools for the management of the GeoNotes that can be visualized by categories. The user can extend the existing GeoNotes with his personnel comments or create new GeoNotes by defining categories, recipients and the level of

  7. Electronic structure evolution and energy level alignment at C60/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine]/MoOx/indium tin oxide interfaces

    Science.gov (United States)

    Liu, Xiaoliang; Yi, Shijuan; Wang, Chenggong; Wang, Congcong; Gao, Yongli

    2014-04-01

    The electronic structure evolution and energy level alignment have been investigated at interfaces comprising fullerene (C60)/4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine] (TAPC)/ molybdenum oxide (MoOx)/ indium tin oxide with ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. With deposition of TAPC upon MoOx, a dipole of 1.58 eV was formed at the TAPC/MoOx interface due to electron transfer from TAPC to MoOx. The highest occupied molecular orbital (HOMO) onset of TAPC was pinned closed to the Fermi level, leading to a p-doped region and thus increasing the carrier concentration at the very interface. The downward band bending and the resulting built-in field in TAPC were favorable for the hole transfer toward the TAPC/MoOx interface. The rigid downward shift of energy levels of TAPC indicated no significant interface chemistry at the interface. With subsequent deposition of C60 on TAPC, a dipole of 0.27 eV was observed at the C60/TAPC heterojunction due to the electron transfer from TAPC to C60. This led to a drop of the HOMO of TAPC near the C60/TAPC interface, and hence further enhanced the band bending in TAPC. The band bending behavior was also observed in C60, similarly creating a built-in field in C60 film and improving the electron transfer away from the C60/TAPC interface. It can be deduced from the interface analysis that a promising maximum open circuit voltage of 1.5 eV is achievable in C60/TAPC-based organic photovoltaic cells.

  8. Comparative study of NiW, NiMo and MoW prepared by mechanical alloying

    International Nuclear Information System (INIS)

    Gonzalez, G.; Sagarzazu, A.; Villalba, R.; Ochoa, J.

    2007-01-01

    The present work concern the amorphisation process induced by mechanical alloying in the NiW, NiMo and MoW systems. The alloys chosen combine a group of transition elements varying from very similar atomic radius and electronic valences (MoW) to different ones (NiW and NiMo). The three systems achieved an amorphous state after 50 h of milling. The mechanism of amorphisation proposed for NiW and NiMo was the combined effect of an excess concentration of the solute atoms entering into the structure of one of the elements and a critical concentration of defects. Continuous formation of an amorphous phase at the interface of the crystalline phase was observed during the process. MoW seems to amorphize by continuous reduction of grain size down to a critical value where the amorphisation takes place

  9. Phase equilibria in the CdMoO4-Gd2(MoO4)3 system

    International Nuclear Information System (INIS)

    Tunik, T.A.; Fedorov, N.F.; Razumovskij, S.N.

    1980-01-01

    The constitutional diagram of the CdMoO 4 -Cd 2 (MoO 4 ) 3 system has been plotted using statistical and dynamic methods as well as a complex of instrumental analysis procedures. Three major phases have been found to occur in the systems, viz.: CdMoO 4 based solid solutions that crystallize in the range from 0 to 25 mol.percent of Cd 2 (MoO 4 ) 3 and pass in transit the two-phase narrow region becoming then solid solutions having a distorted scheelite structure and existing in concentrations from 40 to 65 mol.% of Cd 2 (MoO 4 ) 3 . The entire range, in which the Cd 2 (MoO 4 ) 3 solid solutions can exist, amounts to less than 5 mol.%. Certain crystallochemical constants of the phases that occur in the system have been determined [ru

  10. Phase equilibria in the system Li2O - MoO3 - Sc2O3

    International Nuclear Information System (INIS)

    Safonov, V.V.; Chaban, N.G.; Porotnikov, N.V.

    1984-01-01

    Using the methods of DTA and X-ray phase analysis, interaction of components in the system Li 2 O-MoO 3 -Sc 2 O 3 in concentration range, adjacent to the vertex of MoO 3 , has been studied. Projection of the Li 2 MoO 4 -MoO 3 -Sc 2 (MoO 4 ) 3 system liquidus on concentrational triangle of the compositions Li 2 O-MoO 3 -Sc 2 O 3 , which consists of the fields of primary separation of Li 2 MoO 4 , Li 2 Mo 5 O 17 , Li 2 Mo 4 O 13 , MoO 3 , Sc 2 (MoO 4 ) 3 , Li 3 Sc(MoO 4 ) 3 and LiSc(MoO 4 ) 2 , is built

  11. -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.

  12. Mambertiite, BiMo"5"+_2_._8_0O_8(OH), a new mineral from Su Seinargiu, Sardinia, Italy: occurrence, crystal structure, and relationships with gelosaite

    International Nuclear Information System (INIS)

    Orlandi, Paolo; Biagioni, Cristian; Pasero, Marco; Merlino, Stefano; Demartin, Francesco; Campostrini, Italo

    2015-01-01

    Mambertiite, BiMo"5"+_2_._8_0O_8(OH), is a new mineral identified in small vugs of quartz veins from Su Seinargiu, Sarroch, Cagliari, Sardinia, Italy. It occurs as pale yellow {001} tabular crystals, up to 1 mm in length and few μm thick, with adamantine lustre. Mambertiite is brittle, with a conchoidal fracture. It is associated with ferrimolybdite, muscovite, quartz, sardignaite, and wulfenite. Electron microprobe data (wt% - mean of 12 spot analyses) are: Mo_2O_5 59.59, Bi_2O_3 36.96, WO_3 2.03, H_2O_c_a_l_c 1.48, sum 100.06. On the basis of 9 O atoms per formula unit, the empirical formula is Bi_0_._9_9(Mo"5"+_2_._7_4W_0_._0_5)_Σ_2_._7_9O_7_._9_7(OH)_1_._0_3. Infrared spectra showed absorption bands consistent with the occurrence of OH- groups. Mambertiite is triclinic, space group P1, with a = 5.854(2), b = 9.050(3), c = 7.637(3) Aa, α = 112.85(1), β = 102.58(1), γ = 90.04(1) , V = 362.3(2) Aa"3, Z = 2. The crystal structure of mambertiite was solved and refined down to R_1 = 0.050 on the basis of 2019 observed [F_o>4σ(F_o)] reflections. It is composed by eight-fold coordinated Bi-centred polyhedra and five independent Mo-centred octahedra. Among the latter, two are completely occupied by molybdenum, whereas the remaining three are only partially occupied. Two kinds of (10 anti 1) layers occur in mambertiite, alternating along [10 anti 1]*: one is composed by Bi-centered polyhedra and the two partially occupied Mo_4 and Mo_5 sites, whereas the other is composed by the zigzag chains, running along c, formed by the fully occupied Mo_1 and Mo_2 sites, and the partially occupied Mo_3 site. Mambertiite is structurally related to gelosaite, BiMo"6"+_2O_7(OH) . H_2O; their relationships can be conveniently described through the OD theory. Mambertiite is the fourth known mineral with Bi and Mo as essential components. Its name honours the Italian mineral collector Marzio Mamberti (b. 1959) for his contribution to the knowledge of the Sardinian mineralogy. The

  13. Highly photoluminescent MoO{sub x} quantum dots: Facile synthesis and application in off-on Pi sensing in lake water samples

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Sai Jin [Jiangxi Key Laboratory of Mass Spectrometry and Instrumentation, East China University of Technology (ECUT), Nanchang 330013 (China); School of Chemistry, Biology and Material Science, ECUT, Nanchang 330013 (China); Zhao, Xiao Jing; Zuo, Jun [School of Chemistry, Biology and Material Science, ECUT, Nanchang 330013 (China); Huang, Hai Qing [State Key Laboratory Breeding Base of Nuclear Resources and Environment, ECUT, Nanchang 330013 (China); Zhang, Li, E-mail: zhangli8@ncu.edu.cn [College of Chemistry, Nanchang University, Nanchang 330031 (China)

    2016-02-04

    Molybdenum oxide (MoO{sub x}) is a well-studied transition-metal semiconductor material, and has a wider band gap than MoS{sub 2} which makes it become a promising versatile probe in a variety of fields, such as gas sensor, catalysis, energy storage ect. However, few MoO{sub x} nanomaterials possessing photoluminescence have been reported until now, not to mention the application as photoluminescent probes. Herein, a one-pot method is developed for facile synthesis of highly photoluminescent MoO{sub x} quantum dots (MoO{sub x} QDs) in which commercial molybdenum disulfide powder and hydrogen peroxide (H{sub 2}O{sub 2}) are involved as the precursor and oxidant, respectively. Compared with current synthesis methods, the proposed one has the advantages of rapid, one-pot, easily prepared, environment friendly as well as strong photoluminescence. The obtained MoO{sub x} QDs is further utilized as an efficient photoluminescent probe, and a new off-on sensor has been constructed for phosphate (Pi) determination in complicated lake water samples, attributed to the fact that the binding affinity of Eu{sup 3+} ions to the oxygen atoms from Pi is much higher than that from the surface of MoO{sub x} QDs. Under the optimal conditions, a good linear relationship was found between the enhanced photoluminescence intensity and Pi concentration in the range of 0.1–160.0 μM with the detection limit of 56 nM (3σ/k). The first application of the photoluminescent MoO{sub x} nanomaterials for ion photochemical sensing will open the gate of employing MoO{sub x} nanomaterials as versatile probes in a variety of fields, such as chemi-/bio-sensor, cell imaging, biomedical and so on. - Highlights: • Though increasing effort has been devoted to MoO{sub x} nanomaterials synthesis, only a few reports mentioning its photoluminescence property are available, while even no evidence has shown its applications in chemical and biological sensing. • Herein, a one-pot method possessing the

  14. 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.

  15. 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.

  16. 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.

  17. Investigation of MoO{sub x}/n-Si strong inversion layer interfaces via dopant-free heterocontact

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Teng; Liu, Ruiyuan; Wu, Chen; Zhong, Yanan; Liu, Yuqiang; Wang, Yusheng; Han, Yujie; Xia, Zhouhui; Zou, Yatao; Song, Tao; Duhm, Steffen; Sun, Baoquan [Inst. of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Lab. for Carbon-Based Functional Materials and Devices, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow Univ. (China); Wang, Rongbin [Inst. of Functional Nano and Soft Materials (FUNSOM), Jiangsu Key Lab. for Carbon-Based Functional Materials and Devices, Collaborative Innovation Center of Suzhou Nano Science and Technology, Soochow Univ. (China); Institut fuer Physik and IRIS Adlershof, Humboldt-Universitaet Berlin (Germany); Koch, Norbert [Institut fuer Physik and IRIS Adlershof, Humboldt-Universitaet Berlin (Germany); Helmholtz-Zentrum Berlin fuer Materialien und Energie GmbH, Berlin (Germany)

    2017-07-15

    Transition metal oxides (TMOs)/silicon (Si) heterocontact solar cells are currently under intensive investigation due to their simple fabrication process and less parasitic light absorption compared to traditional heterocontact counterparts. Effective segregation of carriers which is related to carrier-selective heterocontact is crucial for the performance of photovoltaic devices. Molybdenum oxide (MoO{sub x}, x ≤ 3), with a wide bandgap of ∝3.24 eV as well as defect bands derived from oxygen vacancies located inside the band gap, has been introduced to integrate with n-type Si (n-Si) as hole selective contact. Here, we utilize a stepwise in situ deposition of MoO{sub x} to investigate its interaction with Si by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS) measurements. A strong inversion layer originating from a charge transfer process is demonstrated in the n-Si surface region upon MoO{sub x} contact characterized by XPS, UPS, capacitance-voltage (C-V), and minority charge carrier lifetime mapping measurements. A dopant-free heterocontact is built within n-Si with a high built-in potential (V{sub bi}) of ∝0.80 V which benefits for acquiring a high open circuit voltage (V{sub oc}). These results give a detailed interpretation on the carrier transport mechanism of MoO{sub x}/n-Si heterocontact and also pave a new route toward fabricating high efficiency, low-cost solar cells. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  18. Band gap tuning in transition metal oxides by site-specific substitution

    Science.gov (United States)

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  19. Intruder bands in Z = 51 nuclei

    International Nuclear Information System (INIS)

    LaFosse, D.R.

    1993-01-01

    Recent investigations of h 11/2 proton intruder bands in odd 51 Sb nuclei are reported. In addition to experiments performed at SUNY Stony Brook and Chalk River, data from Early Implementation of GAMMASPHERE (analysis in progress) are presented. In particular, the nuclei 109 Sb and 111 Sb are discussed. Rotational bands based on the πh 11/2 orbital coupled to a 2p2h deformed state of the 50 Sn core have been observed. These bands have been observed to high spin, and in the case of 109 Sb to a rotational frequency of 1.4 MeV, the highest frequency observed in a heavy nucleus. The dynamic moments of inertia in these bands decrease slowly with frequency, suggesting a gradual band termination. The systematics of such bands in 109-119 Sb will be discussed

  20. Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

    KAUST Repository

    Du, Yuanmin

    2015-05-12

    Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

  1. Evolution of the SrTiO3/MoO3 interface electronic structure: An in situ photoelectron spectroscopy study

    KAUST Repository

    Du, Yuanmin; Peng, Haiyang; Mao, Hongying; Jin, Kexin; Wang, Hong; Li, Feng; Gao, Xingyu; Chen, Wei; Wu, Tao

    2015-01-01

    Modifying the surface energetics, particularly the work function, of advanced materials is of critical importance for a wide range of surface- and interface-based devices. In this work, using in situ photoelectron spectroscopy, we investigated the evolution of electronic structure at the SrTiO3 surface during the growth of ultrathin MoO3 layers. Thanks to the large work function difference between SrTiO3 and MoO3, the energy band alignment on the SrTiO3 surface is significantly modified. The charge transfer and dipole formation at the SrTiO3/MoO3 interface leads to a large modulation of work function and an apparent doping in SrTiO3. The measured evolution of electronic structure and upward band bending suggest that the growth of ultrathin MoO3 layers is a powerful tool to modulate the surface energetics of SrTiO3, and this surface-engineering approach could be generalized to other functional oxides.

  2. Voltage profile, structural prediction, and electronic calculations for MgxMo6S8

    CSIR Research Space (South Africa)

    Kganyago, KR

    2003-03-01

    Full Text Available the binary Mo6S8 and MgAMo6S8 ~see Table III!, the Mo-Mo distances decrease by (0.521)%. This decrease corresponds to an an- isotropic contraction of the Mo6 octahedron. The Mo cluster of the rhombohedral compounds forms an elongated octahe- dron of symmetry...

  3. Lattice structures and electronic properties of MO/MoSe2 interface from first-principles calculations

    Science.gov (United States)

    Zhang, Yu; Tang, Fu-Ling; Xue, Hong-Tao; Lu, Wen-Jiang; Liu, Jiang-Fei; Huang, Min

    2015-02-01

    Using first-principles plane-wave calculations within density functional theory, we theoretically studied the atomic structure, bonding energy and electronic properties of the perfect Mo (110)/MoSe2 (100) interface with a lattice mismatch less than 4.2%. Compared with the perfect structure, the interface is somewhat relaxed, and its atomic positions and bond lengths change slightly. The calculated interface bonding energy is about -1.2 J/m2, indicating that this interface is very stable. The MoSe2 layer on the interface has some interface states near the Fermi level, the interface states are mainly caused by Mo 4d orbitals, while the Se atom almost have no contribution. On the interface, Mo-5s and Se-4p orbitals hybridize at about -6.5 to -5.0 eV, and Mo-4d and Se-4p orbitals hybridize at about -5.0 to -1.0 eV. These hybridizations greatly improve the bonding ability of Mo and Se atom in the interface. By Bader charge analysis, we find electron redistribution near the interface which promotes the bonding of the Mo and MoSe2 layer.

  4. 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)

  5. The fracture toughness and DBTT of MoB particle-reinforced MoSi2 composites

    International Nuclear Information System (INIS)

    Xiong Zhi; Wang Gang; Jiang Wan

    2005-01-01

    The room temperature fracture toughness and the high temperature DBTT of MoB particle-reinforced MoSi 2 composites were investigated using Vickers indentation technique and MSP testing method, respectively. Modified small punch (MSP) test is a method for evaluation of mechanical properties using very small specimens, and it's appropriate for the determination of strength and DBTT. It was found that the approximate fracture toughness of the composite is 1.3 times that of monolithic MoSi 2 , and its DBTT is 100 C higher than that of monolithic MoSi 2 materials. Cracks deflection is a probable mechanism responsible for this behavior. (orig.)

  6. 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.

  7. Amniotic band syndrome: A clinical brief

    Directory of Open Access Journals (Sweden)

    Dasaradha Ramireddy Malireddy

    2017-01-01

    Full Text Available Amniotic band syndrome (ABS results from bands of amnion entangling fetal parts. They may manifest as constriction rings or complex congenital anomalies resulting in stillbirth. Karyotyping is important for exclusion of inherited disorders and proper counseling. Two case reports one stillbirth and the other with constriction ring of fingers and mild hydronephrosis are presented. The aim of this paper is to make awareness and stress the need for doing thorough work-up in all cases of constriction bands.

  8. Fade Mitigation Techniques at Ka-Band

    Science.gov (United States)

    Dissanayake, Asoka (Editor)

    1996-01-01

    Rain fading is the dominant propagation impairment affecting Ka-band satellite links and rain fade mitigation is a key element in the design of Ka-band satellite networks. Some of the common fade mitigation techniques include: power control, diversity, adaptive coding, and resource sharing. The Advanced Communications Technology Satellite (ACTS) provides an excellent opportunity to develop and test Ka-band rain impairment amelioration techniques. Up-link power control and diversity are discussed in this paper.

  9. Mo-99 supply issues: Status report and lessons learned

    International Nuclear Information System (INIS)

    Ponsard, B.

    2010-01-01

    The worldwide supply of 99 Mo relies on a limited number of research reactors and processing facilities. Its production is essential for the nuclear medicine as 99m Tc, obtained from 99 Mo/ 99m Tc generators, is used in about 80% of the diagnostic nuclear imaging procedures. These applications represent yearly approximately 30 million examinations worldwide. The short half-life's of 99 Mo (66 hours) and its daughter 99m Tc (6 hours) require a regular supply of 99 Mo/ 99m Tc generators to hospitals or central radiopharmacies. Currently, there are only five nuclear reactors involved in the production of 99 Mo on industrial scale: NRU (Canada), HFR (Netherlands), BR2 (Belgium), OSIRIS (France) and SAFARI (South Africa). They irradiate highly enriched uranium targets for the production of about 95% of the available 99 Mo by four processing facilities: AECL/MDS NORDION (Canada), COVIDIEN (Netherlands), IRE (Belgium) and NTP (South Africa). However, these ageing reactors are subject to unscheduled shutdowns and longer maintenance periods making the 99 Mo supply chain vulnerable and unreliable. Several severe disruptions have been experienced since the fall 2005 due to the occurrence of problems at different stages of the supply chain: reactor outages, release of activity from processing facilities, recall of 99 Mo/ 99m Tc generators by the manufacturers, ... It is not expected that the situation will improve significantly in the near future. Therefore, several workshops have been organized in 2009 by the OECD Nuclear Energy Agency (NEA), the International Atomic Energy Agency (IAEA) and the Association of Imaging Producers and Equipment Suppliers (AIPES) to define measures that should be taken to secure the 99 Mo supply in the short, medium and long term. This paper summarizes the current status of the 99 Mo supply, discusses the ongoing plans for additional 99 Mo production capacity and outlines the issues for a reliable global supply chain. (author)

  10. Physical properties of monolithic U8 wt.%-Mo

    Science.gov (United States)

    Hengstler, R. M.; Beck, L.; Breitkreutz, H.; Jarousse, C.; Jungwirth, R.; Petry, W.; Schmid, W.; Schneider, J.; Wieschalla, N.

    2010-07-01

    As a possible high density fuel for research reactors, monolithic U8 wt.%-Mo ("U8Mo") was examined with regard to its structural, thermal and electric properties. X-ray diffraction by the Bragg-Brentano method was used to reveal the tetragonal lattice structure of rolled U8Mo. The specific heat capacity of cast U8Mo was determined by differential scanning calorimetry, its thermal diffusivity was measured by the laser flash method and its mass density by Archimedes' principle. From these results, the thermal conductivity of U8Mo in the temperature range from 40 °C to 250 °C was calculated; in the measured temperature range, it is in good accordance with literature data for UMo with 8 and 9 wt.% Mo, is higher than for 10 wt.% Mo and lower than for 5 wt.% Mo. The electric conductivity of rolled and cast U8Mo was measured by a four-wire method and the electron based part of the thermal conductivity calculated by the Wiedemann-Frantz law. Rolled and cast U8Mo was irradiated at about 150 °C with 80 MeV 127I ions to receive the same iodine ion density in the damage peak region as the fission product density in the fuel of a typical high flux reactor after the targeted nuclear burn-up. XRD analysis of irradiated U8Mo showed a change of the lattice parameters as well as the creation of UO 2 in the superficial sample regions; however, a phase change by irradiation was not observed. The determination of the electron based part of the thermal conductivity of the irradiated samples failed due to high measurement errors which are caused by the low thickness of the damage region in the ion irradiated samples.

  11. Computational Design of Flat-Band Material

    Science.gov (United States)

    Hase, I.; Yanagisawa, T.; Kawashima, K.

    2018-02-01

    Quantum mechanics states that hopping integral between local orbitals makes the energy band dispersive. However, in some special cases, there are bands with no dispersion due to quantum interference. These bands are called as flat band. Many models having flat band have been proposed, and many interesting physical properties are predicted. However, no real compound having flat band has been found yet despite the 25 years of vigorous researches. We have found that some pyrochlore oxides have quasi-flat band just below the Fermi level by first principles calculation. Moreover, their valence bands are well described by a tight-binding model of pyrochlore lattice with isotropic nearest neighbor hopping integral. This model belongs to a class of Mielke model, whose ground state is known to be ferromagnetic with appropriate carrier doping and on-site repulsive Coulomb interaction. We have also performed a spin-polarized band calculation for the hole-doped system from first principles and found that the ground state is ferromagnetic for some doping region. Interestingly, these compounds do not include magnetic element, such as transition metal and rare-earth elements.

  12. Reward banding to determine reporting rate of recovered mourning dove bands

    Science.gov (United States)

    Tomlinson, R.E.

    1968-01-01

    Reward bands placed on the other leg of certain regularly banded immature mourning doves (Zenaidura macroura) were used to develop information on reporting rates of recovered dove bands. Reports from 15 widely separated sections of the United States showed considerable variation in recovery rate of doves both with and without reward bands. The overall percentages of banded doves that were reported as recovered were 9.69% for those with reward bands and 3.83% for controls. The bandreporting rate for states influenced by publicity was 66%; that for states not influenced was 32%.

  13. Band Alignment Determination of Two-Dimensional Heterojunctions and Their Electronic Applications

    KAUST Repository

    Chiu, Ming-Hui

    2018-05-09

    Two-dimensional (2D) layered materials such as MoS2 have been recognized as high on-off ratio semiconductors which are promising candidates for electronic and optoelectronic devices. In addition to the use of individual 2D materials, the accelerated field of 2D heterostructures enables even greater functionalities. Device designs differ, and they are strongly controlled by the electronic band alignment. For example, photovoltaic cells require type II heterostructures for light harvesting, and light-emitting diodes benefit from multiple quantum wells with the type I band alignment for high emission efficiency. The vertical tunneling field-effect transistor for next-generation electronics depends on nearly broken-gap band alignment for boosting its performance. To tailor these 2D layered materials toward possible future applications, the understanding of 2D heterostructure band alignment becomes critically important. In the first part of this thesis, we discuss the band alignment of 2D heterostructures. To do so, we firstly study the interlayer coupling between two dissimilar 2D materials. We conclude that a post-anneal process could enhance the interlayer coupling of as-transferred 2D heterostructures, and heterostructural stacking imposes similar symmetry changes as homostructural stacking. Later, we precisely determine the quasi particle bandgap and band alignment of the MoS2/WSe2 heterostructure by using scan tunneling microscopy/spectroscopy (STM/S) and micron-beam X-ray photoelectron spectroscopy (μ-XPS) techniques. Lastly, we prove that the band alignment of 2D heterojunctions can be accurately predicted by Anderson’s model, which has previously failed to predict conventional bulk heterostructures. In the second part of this thesis, we develop a new Chemical Vapor Deposition (CVD) method capable of precisely controlling the growth area of p- and n-type transition metal dichalcogenides (TMDCs) and further form lateral or vertical 2D heterostructures. This

  14. Facile synthesis of Z-scheme graphitic-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite for enhanced visible photocatalytic properties

    Energy Technology Data Exchange (ETDEWEB)

    Lv, Jiali [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Dai, Kai, E-mail: daikai940@chnu.edu.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Zhang, Jinfeng; Geng, Lei [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Liang, Changhao, E-mail: chliang@issp.ac.cn [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China); Key Laboratory of Materials Physics and Anhui Key Laboratory of Nanomaterials and Nanotechnology, Institute of Solid State Physics, Hefei Institutes of Physical Science, Chinese Academy of Sciences, Hefei 230031 (China); Liu, Qiangchun; Zhu, Guangping; Chen, Chen [College of Physics and Electronic Information, Huaibei Normal University, Huaibei 235000 (China)

    2015-12-15

    Graphical abstract: - Highlights: • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} nanocomposite photocatalyst was prepared. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} as a typical Z-scheme photocatalyst was proved. • g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} showed long reusable life with irradiation of LED light. - Abstract: The band engineering of visible-light-driven photocatalysts is a promising route for harnessing of effective solar energy to perform high chemical reactions and to treat environmental pollution. In this study, two narrow band gap semiconductor nanomaterials, graphitic carbon nitride (g-C{sub 3}N{sub 4}) and Bi{sub 2}MoO{sub 6}, were selected and coupled to form series of g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts. Their structure, light absorption wavelength range, charge transport properties and energy level were investigated. Through perfect manipulation of their composition, enhanced photocatalytic activity of the Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with efficient reduction of recombination of photogenerated electrons and holes was achieved. The optimized Z-scheme g-C{sub 3}N{sub 4}/Bi{sub 2}MoO{sub 6} photocatalysts with 25 wt%g-C{sub 3}N{sub 4} showed apparent pseudo-first-order rate constant k{sub app} as high as 0.0688 min{sup −1}, which was 4.8 times and 8.2 times higher than that of g-C{sub 3}N{sub 4} and Bi{sub 2}MoO{sub 6} photocatalyst, respectively.

  15. Evidence of oxygen vacancy and possible intermediate gap state in layered α-MoO{sub 3} single-crystal nanobelts

    Energy Technology Data Exchange (ETDEWEB)

    Chen, C.Z., E-mail: tcccz@shu.edu.cn; Li, Y.; Tang, X.D.

    2016-01-15

    Multilayered meso-structured MoO{sub 3} nanobelts have been synthesized by thermally oxidizing a molybdenum chip in a reduced oxygen atmosphere, with a view to disclosing the existence of oxygen vacancy and understanding the mechanism behind the influence of oxygen vacancy on the electronic structure of molybdenum oxides. Based on the measurements from X-ray diffraction (XRD), Raman spectroscopy, scanning electron microscope (SEM) and transmission electron microscope (TEM), it is found that the as-grown sample is single-crystal α-MoO{sub 3} with a (001) preferred orientation, which shows an irregular belt-like morphology being composed of some ~20 nm single-crystal thin layers. The present sample includes a lot of oxygen vacancies in the lattice, as evidenced by the considerably reduced coordination number of the central Mo atoms from X-ray absorption spectra (XAS) as well as the red shift of the main Raman peaks. The existence of the oxygen vacancies are further tested by the photoluminescence (PL) results as the main emission peak shows an obvious red shift with the corresponding optical band gap reduced to 2.3 eV. Very importantly, an extra emission positioned at 738 nm (1.68 eV) is believed to originate from the recombination of the electrons from the intermediate band (IB) to the valence band (VB), and the formation of the IB in the gap is also caused by oxygen-ion vacancies.

  16. 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 .

  17. Thermal expansion studies on Th(MoO4)2, Na2Th(MoO4)3 and Na4Th(MoO4)4

    International Nuclear Information System (INIS)

    Keskar, Meera; Krishnan, K.; Dahale, N.D.

    2008-01-01

    Thermal expansion behavior of Th(MoO 4 ) 2 , Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 was studied under vacuum in the temperature range of 298-1123 K by high temperature X-ray diffractometer. Th(MoO 4 ) 2 was synthesized by reacting ThO 2 with 2 mol of MoO 3 , at 1073 K in air and Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were prepared by reacting Th(MoO 4 ) 2 with 1 and 2 mol of Na 2 MoO 4 , respectively at 873 K in air. The XRD data of Th(MoO 4 ) 2 was indexed on orthorhombic system where as XRD data of Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were indexed on tetragonal system. The lattice parameters and cell volume of all the three compounds, fit into polynomial expression with respect to temperature, showed positive thermal expansion (PTE) up to 1123 K. The average value of thermal expansion coefficients for Th(MoO 4 ) 2 , Na 2 Th(MoO 4 ) 3 and Na 4 Th(MoO 4 ) 4 were determined from the high temperature data

  18. Study of the water-gas shift reaction on Mo2C/Mo catalytic coatings for application in microstructured fuel processors

    NARCIS (Netherlands)

    Rebrov, E.V.; Kuznetsov, S.A.; Croon, de M.H.J.M.; Schouten, J.C.

    2007-01-01

    The activity and stability of two types of molybdenum carbide coatings deposited on molybdenum substrates (Mo2C/Mo) were compared in the water-gas shift reaction at 513–631 K. The activity of the Mo2C/Mo coatings obtained by carburization of preoxidized molybdenum substrates in a CH4/H2 mixture at

  19. LEUbased Fission Mo-99 Process with Reduced Solid Wastes

    International Nuclear Information System (INIS)

    Lee, Seungkon; Lee, Suseung; Jung, Sunghee; Hong, Soonbog; Jang, Kyungduk; Choi, Sang Mu; Lee, Jun Sig; Lim, Incheol

    2014-01-01

    99m Tc emits 140 keV of very low gamma-ray radiation energy, as low as conventional diagnostic X-ray, and has short half-life of 6.0058 hours. Therefore, as radioactive tracer, 99m Tc provides high quality diagnostic images but keeps total patient radiation exposure low. Depending on the tagging pharmaceuticals and procedures, 99m Tc can be applied for the diagnostics of various target organs and diseases: brain, myocardium, thyroid, lungs, liver, gallbladder, kidneys, skeleton, blood and tumors. More than 95% of 99 Mo is produced through fission of 235 U worldwide because, 99m o generated from the fission (fission 99 Mo) exhibits very high specific activity (<100 Ci/g). Over 90% of fission 99 Mo producers have been used highly enriched uranium (HEU) targets so far. However, the IAEA recommends the use of low enriched uranium (LEU) to the 99 Mo producers for nonproliferation reason. These days, worldwide 99 Mo supply is not only insufficient but also unstable. Because, most of the main 99 Mo production reactors are about 50 years old and suffered from frequent and unscheduled shutdown. Planned weekly productivity of 2000 Ci fission 99 Mo, in a 6-day reference, will cover 100% domestic demand of Korea, as well as 20% of international market. It is expected to replace 4.3 million USD ($800/Ci) of 99 Mo import for domestic market while exporting 82.8 million USD for world market, annually

  20. Mullite/Mo interfaces formed by Intrusion bonding

    Energy Technology Data Exchange (ETDEWEB)

    Bartolome, Jose F.; Diaz, Marcos; Moya, Jose S.; Saiz, Eduardo; Tomsia, Antoni P.

    2003-04-30

    The microstructure and strength of Mo/mullite interfaces formed by diffusion bonding at 1650 C has been analyzed. Interfacial metal-ceramic interlocking contributes to flexural strength of approx. 140 MPa as measured by 3 point bending. Saturation of mullite with MoO2 does not affect the interfacial strength.

  1. Mo-Si-B-Based Coatings for Ceramic Base Substrates

    Science.gov (United States)

    Perepezko, John Harry (Inventor); Sakidja, Ridwan (Inventor); Ritt, Patrick (Inventor)

    2015-01-01

    Alumina-containing coatings based on molybdenum (Mo), silicon (Si), and boron (B) ("MoSiB coatings") that form protective, oxidation-resistant scales on ceramic substrate at high temperatures are provided. The protective scales comprise an aluminoborosilicate glass, and may additionally contain molybdenum. Two-stage deposition methods for forming the coatings are also provided.

  2. Preparation of a gel of zirconium molybdate for use in the generators of 99 Mo - 99m Tc prepared with 99 Mo produced by the 98 Mo(n,γ)99 Mo reaction

    International Nuclear Information System (INIS)

    Osso Junior, Joao A.; Lima, Ana Lucia V.P.; Silva, Nestor C. da; Nieto, Renata C.; Velosa, Adriana C. de

    1998-01-01

    IPEN develops a project concerning the preparation of a gel of Zirconium Molybdate for use in the generators of 99 Mo- 99m Tc . 99m Tc is the most used radioisotope in nuclear medicine diagnosis procedures and nowadays the generators are being prepared with imported 99 Mo, produced by 235 U fission. The production of 99 Mo by the 98 Mo(n, γ) 99 Mo reaction is now possible because of the power upgrade of IPEN's IEA-R1 reactor, from 2 to 5 MW. This work describes the preparation method of Zirconium Molybdate gel that will be used in the 99 Mo- 99m Tc generators. The gel is prepared by the chemical reaction between Mo, in Mo O 3 form, and Zr, in Zr O Cl 2 .8H 2 O form. After the reaction, the gel is filtered, dried and cracked with saline solution. The product is then loaded into glass columns for use as 99m Tc generator. The results showed the good quality of the gel prepared at laboratory level and of the generators evaluated. (author)

  3. Mullite/Mo interfaces formed by Intrusion bonding

    OpenAIRE

    Bartolome, Jose F.; Diaz, Marcos; Moya, Jose S.; Saiz, Eduardo; Tomsia, Antoni P.

    2003-01-01

    The microstructure and strength of Mo/mullite interfaces formed by diffusion bonding at 1650oC has been analyzed. Interfacial metal-ceramic interlocking contributes to flexural strength of approx. 140 MPa as measured by 3 point bending. Saturation of mullite with MoO2 does not affect the interfacial strength.

  4. Ammonia treated Mo/AC catalysts for CO hydrogenation with ...

    Indian Academy of Sciences (India)

    SHARIF F ZAMAN

    the influence of acid treated AC as a support with K-Ni-. Mo active ... K-Ni-Mo/AC catalyst was more selective to oxygenates. (>40% ... mineral impurities (K, Si, Sn and Fe) <1%. ...... edge technical support with thanks Science and Technology.

  5. Development of Fission Mo-99 Process for LEU Dispersion Target

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Seung Kon; Lee, Su Seung; Hong, Soon Bog; Jang, Kyung Duk; Park, Ul Jae; Lee, Jun Sig [KAERI, Daejeon (Korea, Republic of)

    2016-05-15

    KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission {sup 99}Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission {sup 99}Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, {sup 99}Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. Overall cost for the production of the fission {sup 99}Mo increases significantly with the conversion of fission {sup 99}Mo targets from HEU to LEU. It is not only because the yield of LEU is only 50% of HEU, but also because radioactive waste production increases 200%. On the basis, worldwide efforts on the development of {sup 99}Mo production process that is optimized for the LEU target become an important issue. In this study, fission {sup 99}Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission {sup 99}Mo target will be done in 4th quarter of 2016.

  6. Toroidal deuteron accelerator for Mo-98 neutron activation

    International Nuclear Information System (INIS)

    Araujo, Wagner L.; Campos, Tarcisio P.R. Universidade Federal de Minas Gerais

    2017-01-01

    The radionuclide Tc- 99m is the most useful radioisotope in nuclear medicine. It can be produced by the Mo-99 beta minus decay. Mo-99 has often been produced in a high- flux nuclear reactor through radioactive neutron capture reactions on Mo-98. The present paper provides a preliminary design of a toroidal transmutation system (TTS) based on a toroidal compact deuteron accelerator, which can provide the Mo-98 transmutation into Mo-99. This system is essentially composed of a multi-aperture plasma electrode and a target, submitted to 180 kV, where a positive deuteron beam is accelerated toward a titanium-target loaded with deuterium in which nuclear d-d fusion reactions are induced. The Particle Studio package of the Computer Simulation Technology (CST) software was applied to design, simulate and optimize the deuteron beam on the target. MCNP code provided to neutronic analysis. Based on electromagnetic and neutronic simulations, the neutron yield and reaction rates were estimated. The simulated data allowed appraising the Mo-99 activity. A TTS, in a specific configuration, could produce a total deuterium current of 1.6 A at the target and a neutron yield of 10 13 n.s -1 . In a arrangement of 30 column samples, TTS provides 230 mCi s -1 Mo 99 in each column, which represents 80% of Tc-99m in secular equilibrium. As conclusion, the system holds potential for generating Mo-99 and Tc-99m in a suitable activity in secular equilibrium. (author)

  7. Development of Fission Mo-99 Process for LEU Dispersion Target

    International Nuclear Information System (INIS)

    Lee, Seung Kon; Lee, Su Seung; Hong, Soon Bog; Jang, Kyung Duk; Park, Ul Jae; Lee, Jun Sig

    2016-01-01

    KAERI (Korea Atomic Energy Research Institute) is developing LEU-based fission 99 Mo production process which is connected to the new research reactor (Kijang New Research Reactor, KJRR), which is being constructed in Gijang, Busan, Korea. Historically, the most fission 99 Mo producers have been used highly enriched uranium (HEU) targets so far. However, to reduce the use of HEU in private sector for non-proliferation, 99 Mo producers are forced to convert their HEU-based process to use low enriched uranium (LEU) targets. Economic impact of a target conversion from HEU to LEU is significant. Overall cost for the production of the fission 99 Mo increases significantly with the conversion of fission 99 Mo targets from HEU to LEU. It is not only because the yield of LEU is only 50% of HEU, but also because radioactive waste production increases 200%. On the basis, worldwide efforts on the development of 99 Mo production process that is optimized for the LEU target become an important issue. In this study, fission 99 Mo process with non-irradiated LEU targets was presented except separation and purification steps. Pre- and post-irradiation tests of the fission 99 Mo target will be done in 4th quarter of 2016

  8. 77 FR 29875 - Establishment of Class E Airspace; Houston, MO

    Science.gov (United States)

    2012-05-21

    ...-0903; Airspace Docket No. 11-ACE-20] Establishment of Class E Airspace; Houston, MO AGENCY: Federal... at Houston, MO. Controlled airspace is necessary to accommodate new Area Navigation (RNAV) Standard Instrument Approach Procedures at Houston Memorial Airport. The FAA is taking this action to enhance the...

  9. Mo-99 production by fission and future projections

    International Nuclear Information System (INIS)

    Carranza, E.C.; Novello, A.; Bronca, M.; Cestau, D.; Bavaro, R.; Centurion, R.; Bravo, C.; Bronca, P.; Gualda, E.; Fraguas, F.; Giomi, A.; Ivaldi, L.

    2012-01-01

    Description of the I-131 and Mo-99 production process: The process starts with the irradiation of uranium-aluminum mini plates in the RA-3, Argentinean Reactor No.3, Ezeiza Atomic Center. In a nuclear reactor there is a constant flow of neutrons and when a neutron with proper energy impacts on a nucleus of U-235, it is absorbed at the same time generate an unstable configuration nuclear. For this reason, the nucleus formed is fission, getting two different atoms. Approximately 6% of the fissions produce Mo-99 and 3% produce I-131; the percentage remaining corresponds to formation of atoms without interest for use in medicine. In conclusion, the objective of the process developed in the Fission Plant, is starting from uranium mini plates, separate the Mo-99 and I-131 generated, the remaining elements formed. - Evolution of Mo-99 Production in the last 10 years: The Fission Mo-99 Plant Production begins routine production of Mo-99 in 1985, using targets made of uranium enriched at 90% U-235. In the 1990s, global concern regarding the use of highly enriched uranium, due to non-proliferation issues, caused the interruption of supply of nuclear material (HEU enriched at 90% of U-235). Following this, Argentina developed target based on low-enriched uranium (less than 20% U-235), becoming in 2002 the first country in the world to produce Mo-99 with LEU targets. From 2002 to date, the activity produced of Mo-99 has been tripled annually (author)

  10. A review on the process technology for Mo-99 production

    Energy Technology Data Exchange (ETDEWEB)

    Park, Jin Hoh; Yoo, Jae Hyung; Jung, Won Myung; Lee, Kyoo Il; Woo, Moon Sik; Hwang, Doo Sung; Kim, Yun Koo [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of)

    1994-07-01

    Tc-99m is most frequently used in nuclear medical diagnostics because of its favourable nuclear properties and reasonable prices, and the demand of Tc-99m, is on the increase recently. Mo-99, the parent radionuclide of Tc-99m, is the only source of Tc-99m. This review described overall aspects of process technologies for Mo-99 production. Firstly, the chemical, physical and radioactive properties of Tc-99m, Mo-99 were examined to understand Mo-99 separation process. Also, the technology for Mo-99 production with both the neutron capture and nuclear fission method were examined. But the neutron capture method was scarcely used for large production of Mo-99 because of its low specific activity and high production cost. This review also described mainly process technologies in the nuclear fission method, fabrication and condition for irradiation of targets, transport and dissolution of targets irradiated, separation and purification of Mo-99, etc. Especially, for Mo-99 separation and purification process, the characteristics, merits and demerits of various processes, which have been developed in a few countries, were examined and analyzed. 30 figs., 16 tabs., 60 refs. (Author).

  11. Highly flexible, conductive and transparent MoO3/Ag/MoO3 multilayer electrode for organic photovoltaic cells

    International Nuclear Information System (INIS)

    Abachi, T.; Cattin, L.; Louarn, G.; Lare, Y.; Bou, A.; Makha, M.; Torchio, P.

    2013-01-01

    MoO 3 /Ag/MoO 3 (MAM) multilayer structures were deposited by vacuum evaporation on polyethylene terephthalate (PET) substrate. We demonstrate that, as in the case of glass substrate, the sheet resistance of such structures depends significantly on the Ag film deposition rate. When it is deposited between 0.2 and 0.4 nm/s, an Ag thickness of 11 nm allows achieving sheet resistance of 13 Ω/sq and an averaged transmission of 74%. A study of the influence of the PET substrate on the optimum MoO 3 thicknesses was done. A good qualitative agreement between the theoretical calculations of the variation of the optical transmittance of the MoO 3 /Ag/MoO 3 structures is obtained. The optimum MAM structures MoO 3 (17.5 nm)/Ag (11 nm)/MoO 3 (35 nm) has a factor of merit F M = 4.21 10 −3 (Ω/sq) −1 . Proven by the scotch test the MAM structures exhibit a good adhesion to the PET substrates. The MAM structures were also submitted to bending tests. For outer bending, the samples exhibit no variation of their resistance value, while for inner bending there is a small increase of the resistance of the MAM structures. However this increasing is smaller than that exhibited by Indium Tin Oxide. When the PET/MAM structures are used as anode in organic photovoltaic cells, it is shown that the need to use thicker Ag films inside the multilayer and to cover the MAM with Au to obtain promising Current density vs Voltage characteristics is due to the heating of the PET substrate during the deposition process. - Highlights: • MoO 3 /Ag/MoO 3 structures deposited on polyethylene terephthalate substrate. • MoO 3 /Ag/MoO 3 structures deposited by vacuum evaporation. • The Ag deposition rate influences the properties of the structures. • The MoO 3 /Ag/MoO 3 optimum structure has a factor of merit F M = 4.21 10 −3 (Ω/sq) −1 . • The MoO 3 /Ag/MoO 3 structures exhibit a high flexibility

  12. Hydrothermal synthesis of B-doped Bi2MoO6 and its high photocatalytic performance for the degradation of Rhodamine B

    Science.gov (United States)

    Wang, Min; Han, Jin; Guo, Pengyao; Sun, Mingzhi; Zhang, Yu; Tong, Zhu; You, Meiyan; Lv, Chunmei

    2018-02-01

    B-doped Bi2MoO6 photocatalysts have been synthesized by a hydrothermal method using HBO3 as the doping source and the effect of B doping content on Bi2MoO6 structure and performance was studied. The samples were characterized with XPS, XRD, SEM, BET, UV-Vis DRS, and PL. The photocatalytic activity was evaluated by photocatalytic degradation of Rhodamine B (RhB) under visible light (λ ≥ 420 nm). The results show that all samples are orthorhombic structure. Doping Bi2MoO6 with B increases the amount of Bi5+ and oxygen vacancies, which led to stronger absorption in visible light region and lower band gap energy of the B-doped Bi2MoO6 but had little impact on morphology. B doping significantly improves the photocatalytic activity of Bi2MoO6 and the highest photocatalytic degradation rate is 89% when the initial molar ratio of B to Bi is 0.01.

  13. Observation of abnormal mobility enhancement in multilayer MoS2 transistor by synergy of ultraviolet illumination and ozone plasma treatment

    Science.gov (United States)

    Guo, Junjie; Yang, Bingchu; Zheng, Zhouming; Jiang, Jie

    2017-03-01

    Mobility engineering through physical or chemical process is a fruitful approach for the atomically-layered two-dimensional electronic applications. Unfortunately, the usual process with either illumination or oxygen treatment would greatly deteriorate the mobility in two-dimensional MoS2 field-effect transistor (FET). Here, in this work, we report that the mobility can be abnormally enhanced to an order of magnitude by the synergy of ultraviolet illumination (UV) and ozone plasma treatment in multilayer MoS2 FET. This abnormal mobility enhancement is attributed to the trap passivation due to the photo-generated excess carriers during UV/ozone plasma treatment. An energy band model based on Schottky barrier modulation is proposed to understand the underlying mechanism. Raman spectra results indicate that the oxygen ions are incorporated into the surface of MoS2 (some of them are in the form of ultra-thin Mo-oxide) and can further confirm this proposed mechanism. Our results can thus provide a simple approach for mobility engineering in MoS2-based FET and can be easily expanded to other 2D electronic devices, which represents a significant step toward applications of 2D layered materials in advanced cost-effective electronics.

  14. 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.

  15. Spin-dependent electron-phonon coupling in the valence band of single-layer WS2

    DEFF Research Database (Denmark)

    Hinsche, Nicki Frank; Ngankeu, Arlette S.; Guilloy, Kevin

    2017-01-01

    The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single-layer transition-metal dichalchogenides such as MoS2 or WS2. This permits a direct comparison of the electron-phonon coupling strength in states that only differ by their spin....... Here, the electron-phonon coupling in the valence band maximum of single-layer WS2 is studied by first-principles calculations and angle-resolved photoemission. The coupling strength is found to be drastically different for the two spin-split branches, with calculated values of λK=0.0021 and 0.......40 for the upper and lower spin-split valence band of the freestanding layer, respectively. This difference is somewhat reduced when including scattering processes involving the Au(111) substrate present in the experiment but it remains significant, in good agreement with the experimental results....

  16. Performance of horn-coupled transition edge sensors for L- and S-band optical detection on the SAFARI instrument

    Science.gov (United States)

    Goldie, D. J.; Glowacka, D. M.; Withington, S.; Chen, Jiajun; Ade, P. A. R.; Morozov, D.; Sudiwala, R.; Trappe, N. A.; Quaranta, O.

    2016-07-01

    We describe the geometry, architecture, dark- and optical performance of ultra-low-noise transition edge sensors as THz detectors for the SAFARI instrument. The TESs are fabricated from superconducting Mo/Au bilayers coupled to impedance-matched superconducting β-phase Ta thin-film absorbers. The detectors have phonon-limited dark noise equivalent powers of order 0.5 - 1.0 aW/ √ Hz and saturation powers of order 20 - 40 fW. The low temperature test configuration incorporating micro-machined backshorts is also described, and construction and typical performance characteristics for the optical load are shown. We report preliminary measurements of the optical performance of these TESs for two SAFARI bands; L-band at 110 - 210 μm and S-band 34 - 60 μm .

  17. Hydrothermal Synthesis of MoO2 and Supported MoO2 Cata-lysts for Oxidative Desulfurization of Dibenzothiophene

    Institute of Scientific and Technical Information of China (English)

    Wang Danhong; Zhang Jianyong; Liu Ni; Zhao Xin; Zhang Minghui

    2014-01-01

    A novel method for obtaining spherical MoO2 nanoparticles and SiO2-Al2O3 supported MoO2 by hydrothermal reduction of Mo (VI) species was studied. The obtained MoO2 catalysts show very high catalytic activity in the oxidative desulfurization (ODS) process. The effect of hydrothermal temperature and crystallization temperature on ODS activity was investigated. The ODS activity of supported MoO2 catalysts with various MoO2 contents were also investigated. The mecha-nism for formation of MoO2 involving oxalic acid was proposed.

  18. ¿Cómo salir del liberalismo?

    Directory of Open Access Journals (Sweden)

    Lenin Flórez

    2001-01-01

    Full Text Available Alain Touraine ¿Cómo salir del Liberalismo? Piadós, Bacelona, 1999, 123 páginas. El libro parece circunscribirse al actual contexto político de Francia, que el autor considera como una coyuntura de salida del liberalismo. Su tema central gira alrededor de entender la democracia en este periodo y un proyecto político de más largo alcance. Sin embargo, sabemos que tiene serias investigaciones sobre la realidad latinoamericana, lo que nos indica que su temática rebasa el mundo europeo. Sin duda, el texto que reseñamos tiene un carácter crítico y sus planteamientos suscitan la controversia teórica.

  19. The Mo/Ta (100) interface

    International Nuclear Information System (INIS)

    Quintanar, C.; Velasco, V.R.; Garcia-Moliner, F.

    1990-12-01

    We have calculated the interface local density of states (ILDOS) formed by the transition metals Mo/Ta using a tight-binding Slater-Koster description and the Green Function matching method together with quickly converging algorithms to compute the transfer matrices. We obtain the surface LDOS as a byproduct. Our result is a useful tool to analyze experimental results and to check models as a function of the value of the tight-binding parameters either of the bulk or at the interface itself. We consider the (100) direction. We compare the interface to the bulk and to the surface and comment on some recently found experimental results for this interface. (author). 17 refs, 2 figs

  20. Chemical sensitivity of Mo gate Mos capacitors

    Energy Technology Data Exchange (ETDEWEB)

    Lombardi, R.M.; Aragon, R. [Laboratorio de Peliculas delgadas, Facultad de Ingenieria, Paseo Colon 850, 1063, Buenos Aires (Argentina)

    2006-07-01

    Mo gate Mos capacitors exhibit a negative shift of their C-V characteristic by up to 240 mV, at 125 C, in response to 1000 ppm hydrogen, in controlled nitrogen atmospheres. The experimental methods for obtaining capacitance and conductance, as a function of polarisation voltage, as well as the relevant equivalent circuits are reviewed. The single-state interface state density, at the semiconductor-dielectric interface, decreases from 2.66 x 10{sup 11} cm{sup -2} e-v{sup -1}, in pure nitrogen, to 2.5 x 10{sup 11} cm{sup -2} e-v{sup -1} in 1000 ppm hydrogen in nitrogen mixtures, at this temperature. (Author)