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Sample records for single molecular layer

  1. Optofluidic lasers with a single molecular layer of gain

    Science.gov (United States)

    Chen, Qiushu; Ritt, Michael; Sivaramakrishnan, Sivaraj; Sun, Yuze; Fan, Xudong

    2014-01-01

    We achieve optofluidic lasers with a single molecular layer of gain, in which green fluorescent protein, dye-labeled bovine serum albumin, and dye-labeled DNA are respectively used as the gain medium and attached to the surface of a ring resonator via surface immobilization biochemical methods. It is estimated that the surface density of the gain molecules is on the order of 1012/cm2, sufficient for lasing under pulsed optical excitation. It is further shown that the optofluidic laser can be tuned by energy transfer mechanisms through biomolecular interactions. This work not only opens a door to novel photonic devices that can be controlled at the level of a single molecular layer, but also provides a promising sensing platform to analyze biochemical processes at the solid-liquid interface. PMID:25312306

  2. Diffusion of Supercritical Fluids through Single-Layer Nanoporous Solids: Theory and Molecular Simulations.

    Science.gov (United States)

    Oulebsir, Fouad; Vermorel, Romain; Galliero, Guillaume

    2018-01-16

    With the advent of graphene material, membranes based on single-layer nanoporous solids appear as promising devices for fluid separation, be it liquid or gaseous mixtures. The design of such architectured porous materials would greatly benefit from accurate models that can predict their transport and separation properties. More specifically, there is no universal understanding of how parameters such as temperature, fluid loading conditions, or the ratio of the pore size to the fluid molecular diameter influence the permeation process. In this study, we address the problem of pure supercritical fluids diffusing through simplified models of single-layer porous materials. Basically, we investigate a toy model that consists of a single-layer lattice of Lennard-Jones interaction sites with a slit gap of controllable width. We performed extensive equilibrium and biased molecular dynamics simulations to document the physical mechanisms involved at the molecular scale. We propose a general constitutive equation for the diffusional transport coefficient derived from classical statistical mechanics and kinetic theory, which can be further simplified in the ideal gas limit. This transport coefficient relates the molecular flux to the fluid density jump across the single-layer membrane. It is found to be proportional to the accessible surface porosity of the single-layer porous solid and to a thermodynamic factor accounting for the inhomogeneity of the fluid close to the pore entrance. Both quantities directly depend on the potential of mean force that results from molecular interactions between solid and fluid atoms. Comparisons with the simulations data show that the kinetic model captures how narrowing the pore size below the fluid molecular diameter lowers dramatically the value of the transport coefficient. Furthermore, we demonstrate that our general constitutive equation allows for a consistent interpretation of the intricate effects of temperature and fluid loading

  3. A visualization method for probing grain boundaries of single layer graphene via molecular beam epitaxy

    Science.gov (United States)

    Zhan, Linjie; Wan, Wen; Zhu, Zhenwei; Zhao, Zhijuan; Zhang, Zhenhan; Shih, Tien-Mo; Cai, Weiwei

    2017-07-01

    Graphene, a member of layered two-dimensional (2D) materials, possesses high carrier mobility, mechanical flexibility, and optical transparency, as well as enjoying a wide range of promising applications in electronics. Adopting the chemical vaporization deposition method, the majority of investigators have ubiquitously grown single layer graphene (SLG), which inevitably involves polycrystalline properties. Here we demonstrate a simple method for the direct visualization of arbitrarily large-size SLG domains by synthesizing one-hundred-nm-scale MoS2 single crystals via a high-vacuum molecular beam epitaxy process. The present study based on epitaxial growth provides a guide for probing the grain boundaries of various 2D materials and implements higher potentials for the next-generation electronic devices.

  4. Thermal conductivities of single- and multi-layer phosphorene: a molecular dynamics study.

    Science.gov (United States)

    Zhang, Ying-Yan; Pei, Qing-Xiang; Jiang, Jin-Wu; Wei, Ning; Zhang, Yong-Wei

    2016-01-07

    As a new two-dimensional (2D) material, phosphorene has drawn growing attention owing to its novel electronic properties, such as layer-dependent direct bandgaps and high carrier mobility. Herein we investigate the in-plane and cross-plane thermal conductivities of single- and multi-layer phosphorene, focusing on geometrical (sample size, orientation and layer number) and strain (compression and tension) effects. A strong anisotropy is found in the in-plane thermal conductivity with its value along the zigzag direction being much higher than that along the armchair direction. Interestingly, the in-plane thermal conductivity of multi-layer phosphorene is insensitive to the layer number, which is in strong contrast to that of graphene where the interlayer interactions strongly influence the thermal transport. Surprisingly, tensile strain leads to an anomalous increase in the in-plane thermal conductivity of phosphorene, in particular in the armchair direction. Both the in-plane and cross-plane thermal conductivities can be modulated by external strain; however, the strain modulation along the cross-plane direction is more effective and thus more tunable than that along the in-plane direction. Our findings here are of great importance for the thermal management in phosphorene-based nanoelectronic devices and for thermoelectric applications of phosphorene.

  5. Highly simplified small molecular phosphorescent organic light emitting devices with a solution-processed single layer

    Directory of Open Access Journals (Sweden)

    Zhaokui Wang

    2011-09-01

    Full Text Available A highly simplified single layer solution-processed phosphorescent organic light emitting device (PHOLED with the maximum ηP 11.5 lm/W corresponding to EQE 9.6% has been demonstrated. The solution-processed device is shown having comparable even exceeding device performance to vacuum-processed PHOLED. The simplified device design strategy represents a pathway toward large area, low cost and high efficiency OLEDs in the future. The charge injection and conduction mechanisms in two solution- and vacuum-processed devices are also investigated by evaluating the temperature dependence of current density – voltage characteristics.

  6. Analytical and molecular dynamics studies on the impact loading of single-layered graphene sheet by fullerene

    Science.gov (United States)

    Hosseini-Hashemi, Shahrokh; Sepahi-Boroujeni, Amin; Sepahi-Boroujeni, Saeid

    2018-04-01

    Normal impact performance of a system including a fullerene molecule and a single-layered graphene sheet is studied in the present paper. Firstly, through a mathematical approach, a new contact law is derived to describe the overall non-bonding interaction forces of the "hollow indenter-target" system. Preliminary verifications show that the derived contact law gives a reliable picture of force field of the system which is in good agreements with the results of molecular dynamics (MD) simulations. Afterwards, equation of the transversal motion of graphene sheet is utilized on the basis of both the nonlocal theory of elasticity and the assumptions of classical plate theory. Then, to derive dynamic behavior of the system, a set including the proposed contact law and the equations of motion of both graphene sheet and fullerene molecule is solved numerically. In order to evaluate outcomes of this method, the problem is modeled by MD simulation. Despite intrinsic differences between analytical and MD methods as well as various errors arise due to transient nature of the problem, acceptable agreements are established between analytical and MD outcomes. As a result, the proposed analytical method can be reliably used to address similar impact problems. Furthermore, it is found that a single-layered graphene sheet is capable of trapping fullerenes approaching with low velocities. Otherwise, in case of rebound, the sheet effectively absorbs predominant portion of fullerene energy.

  7. Molecular Sieving Across Centimeter-Scale Single-Layer Nanoporous Graphene Membranes.

    Science.gov (United States)

    Boutilier, Michael S H; Jang, Doojoon; Idrobo, Juan-Carlos; Kidambi, Piran R; Hadjiconstantinou, Nicolas G; Karnik, Rohit

    2017-06-27

    Molecular sieving across atomically thin nanoporous graphene is predicted to enable superior gas separation performance compared to conventional membranes. Although molecular sieving has been demonstrated across a few pores in microscale graphene membranes, leakage through nonselective defects presents a major challenge toward realizing selective membranes with high densities of pores over macroscopic areas. Guided by multiscale gas transport modeling of nanoporous graphene membranes, we designed the porous support beneath the graphene to isolate small defects and minimize leakage through larger defects. Ion bombardment followed by oxygen plasma etching was used to produce subnanometer pores in graphene at a density of ∼10 11 cm -2 . Gas permeance measurements demonstrate selectivity that exceeds the Knudsen effusion ratio and scales with the kinetic diameter of the gas molecules, providing evidence of molecular sieving across centimeter-scale nanoporous graphene. The extracted nanoporous graphene performance is comparable to or exceeds the Robeson limit for polymeric gas separation membranes, confirming the potential of nanoporous graphene membranes for gas separations.

  8. Nitro Stretch Probing of a Single Molecular Layer to Monitor Shock Compression with Picosecond Time-Resolution

    Science.gov (United States)

    Berg, Christopher; Lagutchev, Alexei; Fu, Yuanxi; Dlott, Dana

    2011-06-01

    To obtain maximum possible temporal resolution, laser-driven shock compression of a molecular monolayer was studied using vibrational spectroscopy. The stretching transitions of nitro groups bound to aromatic rings was monitored using a nonlinear coherent infrared spectroscopy termed sum-frequency generation, which produced high-quality signals from this very thin layer. To overcome the shock opacity problem, a novel polymer overcoat method allowed us to make the observation window (witness plate) a few micrometers thick. The high signal-to-noise ratios (>100:1) obtained via this spectroscopy allowed us to study detailed behavior of the shocked molecules. To help interpret these vibrational spectra, additional spectra were obtained under conditions of static pressures up to 10 GPa and static temperatures up to 1000 C. Consequently, this experiment represents a significant step in resolving molecular dynamics during shock compression and unloading with both high spatial and temporal resolution. Supported by the Stewardship Sciences Academic Alliance Program from the Carnegie-DOE Alliance Center under grant number DOE CIW 4-3253-13 and the US Air Force Office of Scientific Research under award number FAA9550-09-1-0163.

  9. Molecular Doping of the Hole-Transporting Layer for Efficient, Single-Step Deposited Colloidal Quantum Dot Photovoltaics

    KAUST Repository

    Kirmani, Ahmad R.

    2017-07-31

    Employment of thin perovskite shells and metal halides as surface-passivants for colloidal quantum dots (CQDs) have been important, recent developments in CQD optoelectronics. These have opened the route to single-step deposited high-performing CQD solar cells. These promising architectures employ a QD hole-transporting layer (HTL) whose intrinsically shallow Fermi level (EF) restricts band-bending at maximum power-point during solar cell operation limiting charge collection. Here, we demonstrate a generalized approach to effectively balance band-edge energy levels of the main CQD absorber and charge-transport layer for these high-performance solar cells. Briefly soaking the QD HTL in a solution of the metal-organic p-dopant, molybdenum tris(1-(trifluoroacetyl)-2-(trifluoromethyl)ethane-1,2-dithiolene), effectively deepens its Fermi level, resulting in enhanced band bending at the HTL:absorber junction. This blocks the back-flow of photo-generated electrons, leading to enhanced photocurrent and fill factor compared to undoped devices. We demonstrate 9.0% perovskite-shelled and 9.5% metal-halide-passivated CQD solar cells, both achieving ca. 10% relative enhancements over undoped baselines.

  10. Single-layer 1T‧-MoS2 under electron irradiation from ab initio molecular dynamics

    Science.gov (United States)

    Pizzochero, Michele; Yazyev, Oleg V.

    2018-04-01

    Irradiation with high-energy particles has recently emerged as an effective tool for tailoring the properties of two-dimensional transition metal dichalcogenides. In order to carry out an atomically-precise manipulation of the lattice, a detailed understanding of the beam-induced events occurring at the atomic scale is necessary. Here, we investigate the response of 1T' -MoS2 to the electron irradiation by ab initio molecular dynamics means. Our simulations suggest that an electron beam with energy smaller than 75 keV does not result in any knock-on damage. The displacement threshold energies are different for the two nonequivalent sulfur atoms in 1T' -MoS2 and strongly depend on whether the top or bottom chalcogen layer is considered. As a result, a careful tuning of the beam energy can promote the formation of ordered defects in the sample. We further discuss the effect of the electron irradiation in the neighborhood of a defective site, the mobility of the sulfur vacancies created and their tendency to aggregate. Overall, our work provides useful guidelines for the imaging and the defect engineering of 1T' -MoS2 using electron microscopy.

  11. Experience with single-layer rectal anastomosis.

    OpenAIRE

    Khubchandani, M; Upson, J

    1981-01-01

    Anastomotic dehiscence following resection of the large intestine is a serious complication. Satisfactory results of single-layer anastomosis depend upon meticulous technique and a scrupulously clean colon. Out of 65 single-layer anastomoses involving the rectum, significant leakage occurred in 4 patients. The results are reported in order to draw attention to the safety and efficacy of one-layer anastomosis.

  12. Automatic settlement analysis of single-layer armour layers

    NARCIS (Netherlands)

    Hofland, B.; van gent, Marcel

    2016-01-01

    A method to quantify, analyse, and present the settlement of single-layer concrete armour layers of coastal structures is presented. The use of the image processing technique for settlement analysis is discussed based on various modelling
    studies performed over the years. The accuracy of the

  13. Nano-soldering to single atomic layer

    Science.gov (United States)

    Girit, Caglar O [Berkeley, CA; Zettl, Alexander K [Kensington, CA

    2011-10-11

    A simple technique to solder submicron sized, ohmic contacts to nanostructures has been disclosed. The technique has several advantages over standard electron beam lithography methods, which are complex, costly, and can contaminate samples. To demonstrate the soldering technique graphene, a single atomic layer of carbon, has been contacted, and low- and high-field electronic transport properties have been measured.

  14. Molecular models and simulations of layered materials

    International Nuclear Information System (INIS)

    Kalinichev, Andrey G.; Cygan, Randall Timothy; Heinz, Hendrik; Greathouse, Jeffery A.

    2008-01-01

    The micro- to nano-sized nature of layered materials, particularly characteristic of naturally occurring clay minerals, limits our ability to fully interrogate their atomic dispositions and crystal structures. The low symmetry, multicomponent compositions, defects, and disorder phenomena of clays and related phases necessitate the use of molecular models and modern simulation methods. Computational chemistry tools based on classical force fields and quantum-chemical methods of electronic structure calculations provide a practical approach to evaluate structure and dynamics of the materials on an atomic scale. Combined with classical energy minimization, molecular dynamics, and Monte Carlo techniques, quantum methods provide accurate models of layered materials such as clay minerals, layered double hydroxides, and clay-polymer nanocomposites

  15. Electrically Anisotropic Layered Perovskite Single Crystal

    KAUST Repository

    Li, Ting-You

    2016-04-01

    Organic-inorganic hybrid perovskites (OIHPs), which are promising materials for electronic and optoelectronic applications (1-10), have made into layered organic-inorganic hybrid perovskites (LOIHPs). These LOIHPs have been applied to thin-film transistors, solar cells and tunable wavelength phosphors (11-18). It is known that devices fabricated with single crystal exhibit the superior performance, which makes the growth of large-sized single crystals critical for future device applications (19-23). However, the difficulty in growing large-sized LOIHPs single crystal with superior electrical properties limits their practical applications. Here, we report a method to grow the centimeter-scaled LOIHP single crystal of [(HOC2H4NH3)2PbI4], demonstrating the potentials in mass production. After that, we reveal anisotropic electrical and optoelectronic properties which proved the carrier propagating along inorganic framework. The carrier mobility of in-inorganic-plane (in-plane) devices shows the average value of 45 cm2 V–1 s–1 which is about 100 times greater than the record of LOIHP devices (15), showing the importance of single crystal in device application. Moreover, the LOIHP single crystals show its ultra-short carrier lifetime of 42.7 ps and photoluminescence quantum efficiency (PLQE) of 25.4 %. We expect this report to be a start of LOIHPs for advanced applications in which the anisotropic properties are needed (24-25), and meets the demand of high-speed applications and fast-response applications.

  16. Tunneling spin injection into single layer graphene.

    Science.gov (United States)

    Han, Wei; Pi, K; McCreary, K M; Li, Yan; Wong, Jared J I; Swartz, A G; Kawakami, R K

    2010-10-15

    We achieve tunneling spin injection from Co into single layer graphene (SLG) using TiO₂ seeded MgO barriers. A nonlocal magnetoresistance (ΔR(NL)) of 130  Ω is observed at room temperature, which is the largest value observed in any material. Investigating ΔR(NL) vs SLG conductivity from the transparent to the tunneling contact regimes demonstrates the contrasting behaviors predicted by the drift-diffusion theory of spin transport. Furthermore, tunnel barriers reduce the contact-induced spin relaxation and are therefore important for future investigations of spin relaxation in graphene.

  17. Atomic and molecular layer deposition for surface modification

    International Nuclear Information System (INIS)

    Vähä-Nissi, Mika; Sievänen, Jenni; Salo, Erkki; Heikkilä, Pirjo; Kenttä, Eija; Johansson, Leena-Sisko; Koskinen, Jorma T.; Harlin, Ali

    2014-01-01

    Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al 2 O 3 due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO 2 . • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt

  18. Atomic and molecular layer deposition for surface modification

    Energy Technology Data Exchange (ETDEWEB)

    Vähä-Nissi, Mika, E-mail: mika.vaha-nissi@vtt.fi [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Sievänen, Jenni; Salo, Erkki; Heikkilä, Pirjo; Kenttä, Eija [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland); Johansson, Leena-Sisko, E-mail: leena-sisko.johansson@aalto.fi [Aalto University, School of Chemical Technology, Department of Forest Products Technology, PO Box 16100, FI‐00076 AALTO (Finland); Koskinen, Jorma T.; Harlin, Ali [VTT Technical Research Centre of Finland, PO Box 1000, FI‐02044 VTT (Finland)

    2014-06-01

    Atomic and molecular layer deposition (ALD and MLD, respectively) techniques are based on repeated cycles of gas–solid surface reactions. A partial monolayer of atoms or molecules is deposited to the surface during a single deposition cycle, enabling tailored film composition in principle down to molecular resolution on ideal surfaces. Typically ALD/MLD has been used for applications where uniform and pinhole free thin film is a necessity even on 3D surfaces. However, thin – even non-uniform – atomic and molecular deposited layers can also be used to tailor the surface characteristics of different non-ideal substrates. For example, print quality of inkjet printing on polymer films and penetration of water into porous nonwovens can be adjusted with low-temperature deposited metal oxide. In addition, adhesion of extrusion coated biopolymer to inorganic oxides can be improved with a hybrid layer based on lactic acid. - Graphical abstract: Print quality of a polylactide film surface modified with atomic layer deposition prior to inkjet printing (360 dpi) with an aqueous ink. Number of printed dots illustrated as a function of 0, 5, 15 and 25 deposition cycles of trimethylaluminum and water. - Highlights: • ALD/MLD can be used to adjust surface characteristics of films and fiber materials. • Hydrophobicity after few deposition cycles of Al{sub 2}O{sub 3} due to e.g. complex formation. • Same effect on cellulosic fabrics observed with low temperature deposited TiO{sub 2}. • Different film growth and oxidation potential with different precursors. • Hybrid layer on inorganic layer can be used to improve adhesion of polymer melt.

  19. Experimental research on the stability of armour and secondary layer in a single layered Tetrapod breakwater

    NARCIS (Netherlands)

    De Jong, W.; Verhagen, H.J.; Olthof, J.

    2004-01-01

    Physical model tests were done on an armour of Tetrapods, placed in a single layer. The objective of the investigations was to study the stability of the secondary layer, and to see if the material of this secondary layer could be washed out through the single layer of Tetrapods. It was concluded

  20. Single-layer model for surface roughness.

    Science.gov (United States)

    Carniglia, C K; Jensen, D G

    2002-06-01

    Random roughness of an optical surface reduces its specular reflectance and transmittance by the scattering of light. The reduction in reflectance can be modeled by a homogeneous layer on the surface if the refractive index of the layer is intermediate to the indices of the media on either side of the surface. Such a layer predicts an increase in the transmittance of the surface and therefore does not provide a valid model for the effects of scatter on the transmittance. Adding a small amount of absorption to the layer provides a model that predicts a reduction in both reflectance and transmittance. The absorbing layer model agrees with the predictions of a scalar scattering theory for a layer with a thickness that is twice the rms roughness of the surface. The extinction coefficient k for the layer is proportional to the thickness of the layer.

  1. Hydraulic Stability of Single-Layer Dolos and Accropode Armour Layers

    DEFF Research Database (Denmark)

    Christensen, M.; Burcharth, H. F.

    1995-01-01

    A new design for Dolos breakwater armour layers is presented: Dolos armour units are placed in a selected geometric pattern in a single layer. A series of model tests have been performed in order to determine the stability of such single-layer Dolos armour layers. The test results are presented...... and compared to the stability formula for the traditional double-layer, randomly placed Dolos armour layer design presented by Burcharth (1992). The results of a series of stability tests performed with Accropode® armour layers is presented and compared to the test results obtained with single-layer Dolos...... armour layers. Run-up and reflection are presented for both single-layer Dolos armour and Accropode armour....

  2. Collapse of molecularly thin lubricant layers between elastic substrates

    CERN Document Server

    Becker, T

    2003-01-01

    We investigated the dynamics of layering transitions and other structure formation processes in molecularly thin liquid films upon reducing the separation between two atomically smooth mica substrates. Using a newly developed surface forces apparatus with two-dimensional imaging capability, we followed the hydrodynamic processes during drainage with unprecedented precision. Depending on the substrate elasticity and the approach rate, drainage occurs either in a series of consecutive layering transitions or in a single step. In the latter case, nanoscopic amounts of liquid are trapped inside the contact area transiently. The experimental observations are explained qualitatively by combining hydrodynamic effects with elastic deformations of the substrates. Furthermore, we present evidence for anisotropy in the fluid dynamics induced by the lattice symmetry of the substrates.

  3. Breakwater stability with damaged single layer armour units

    NARCIS (Netherlands)

    De Rover, R.; Verhagen, H.J.; Van den Berge, A.; Reedijk, B.

    2008-01-01

    The effect of single layer interlocking armour unit breakage on the hydraulic armour layer stability and potential damage progression is addressed in this paper. A 2-dimensional scale model of a rubble mound breakwater with an armour layer consisting of Xbloc armour units was tested. The residual

  4. Dynamic properties of sensory stimulation evoked responses in mouse cerebellar granule cell layer and molecular layer.

    Science.gov (United States)

    Bing, Yan-Hua; Zhang, Guang-Jian; Sun, Lei; Chu, Chun-Ping; Qiu, De-Lai

    2015-01-12

    Sensory information coming from climbing fiber and mossy fiber-granule cell pathways, generates motor-related outputs according to internal rules of integration and computation in the cerebellar cortex. However, the dynamic properties of sensory information processing in mouse cerebellar cortex are less understood. Here, we studied the dynamic properties of sensory stimulation-evoked responses in the cerebellar granule cell layer (GCL) and molecular layer (ML) by electrophysiological recordings method. Our data showed that air-puff stimulation (5-10 ms in duration) of the ipsilateral whisker pad evoked single-peak responses in the GCL and ML; whereas a duration of stimulation ≥30 ms in GCL and ≥60 ms in ML, evoked double-peak responses that corresponded with stimulation-on and -off responses via mossy fiber pathway. The highest frequency of stimulation train for evoking GCL responses was 33 Hz. In contrast, the highest frequency of stimulation train for evoking ML responses was 4 Hz. These results indicate that the cerebellar granule cells transfer the high-fidelity sensory information from mossy fibers, which is cut-off by molecular layer interneurons (MLIs). Our results suggest that the MLIs network acts as a low-pass filter during the processing of high-frequency sensory information. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

  5. Defect free single crystal thin layer

    KAUST Repository

    Elafandy, Rami Tarek Mahmoud

    2016-01-28

    A gallium nitride film can be a dislocation free single crystal, which can be prepared by irradiating a surface of a substrate and contacting the surface with an etching solution that can selectively etch at dislocations.

  6. LENA Conversion Foils Using Single-Layer Graphene, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Our key innovation will be the use of single-layer graphene as LENA conversion foils, with appropriate microgrids and nanogrids to support the foils. Phase I...

  7. Single-layer graphene on silicon nitride micromembrane resonators

    DEFF Research Database (Denmark)

    Schmid, Silvan; Bagci, Tolga; Zeuthen, Emil

    2014-01-01

    for exciting new devices, such as optoelectromechanical transducers. Here, we add a single-layer graphene on SiN micromembranes and compare electromechanical coupling and mechanical properties to bare dielectric membranes and to membranes metallized with an aluminium layer. The electrostatic coupling...

  8. Functionalization of Single Layer MoS$_2$ Honeycomb Structures

    OpenAIRE

    Ataca, C.; Ciraci, S.

    2010-01-01

    Based on the first-principles plane wave calculations, we studied the functionalization of the two-dimensional single layer MoS$_2$ structure via adatom adsorption and vacancy defect creation. Minimum energy adsorption sites are determined for sixteen different adatoms, each gives rise to diverse properties. Bare, single layer MoS$_2$, which is normally a nonmagnetic, direct band gap semiconductor, attains a net magnetic moment upon adsorption of specific transition metal atoms, as well as si...

  9. Neurons of the dentate molecular layer in the rabbit hippocampus.

    Directory of Open Access Journals (Sweden)

    Francisco J Sancho-Bielsa

    Full Text Available The molecular layer of the dentate gyrus appears as the main entrance gate for information into the hippocampus, i.e., where the perforant path axons from the entorhinal cortex synapse onto the spines and dendrites of granule cells. A few dispersed neuronal somata appear intermingled in between and probably control the flow of information in this area. In rabbits, the number of neurons in the molecular layer increases in the first week of postnatal life and then stabilizes to appear permanent and heterogeneous over the individuals' life span, including old animals. By means of Golgi impregnations, NADPH histochemistry, immunocytochemical stainings and intracellular labelings (lucifer yellow and biocytin injections, eight neuronal morphological types have been detected in the molecular layer of developing adult and old rabbits. Six of them appear as interneurons displaying smooth dendrites and GABA immunoreactivity: those here called as globoid, vertical, small horizontal, large horizontal, inverted pyramidal and polymorphic. Additionally there are two GABA negative types: the sarmentous and ectopic granular neurons. The distribution of the somata and dendritic trees of these neurons shows preferences for a definite sublayer of the molecular layer: small horizontal, sarmentous and inverted pyramidal neurons are preferably found in the outer third of the molecular layer; vertical, globoid and polymorph neurons locate the intermediate third, while large horizontal and ectopic granular neurons occupy the inner third or the juxtagranular molecular layer. Our results reveal substantial differences in the morphology and electrophysiological behaviour between each neuronal archetype in the dentate molecular layer, allowing us to propose a new classification for this neural population.

  10. Synthesis of single-crystalline Al layers in sapphire

    International Nuclear Information System (INIS)

    Schlosser, W.; Lindner, J.K.N.; Zeitler, M.; Stritzker, B.

    1999-01-01

    Single-crystalline, buried aluminium layers were synthesized by 180 keV high-dose Al + ion implantation into sapphire at 500 deg. C. The approximately 70 nm thick Al layers exhibit in XTEM investigations locally abrupt interfaces to the single-crystalline Al 2 O 3 top layer and bulk, while thickness and depth position are subjected to variations. The layers grow by a ripening process of oriented Al precipitates, which at low doses exist at two different orientations. With increasing dose, precipitates with one out of the two orientations are observed to exist preferentially, finally leading to the formation of a single-crystalline layer. Al outdiffusion to the surface and the formation of spherical Al clusters at the surface are found to be competing processes to buried layer formation. The formation of Al layers is described by Rutherford Backscattering Spectroscopy (RBS), Cross-section transmission electron microscopy (XTEM) and Scanning electron microscopy (SEM) studies as a function of dose, temperature and substrate orientation

  11. Single Layered Versus Double Layered Intestinal Anastomosis: A Randomized Controlled Trial

    Science.gov (United States)

    Mohapatra, Vandana; Singh, Surendra; Rath, Pratap Kumar; Behera, Tapas Ranjan

    2017-01-01

    Introduction Gastrointestinal anastomosis is one of the most common procedures being performed in oesophagogastric, hepatobiliary, bariatric, small bowel and colorectal surgery; however, the safety and efficacy of single layer or double layer anastomotic technique is still unclear. Aim To assess and compare the efficacy, safety and cost effectiveness of single layered versus double layered intestinal anastomosis. Materials and Methods This prospective, double-blind, randomized controlled comparative study comprised of patients who underwent intestinal resection and anastomosis. They were randomly assigned to undergo either single layered extra-mucosal anastomosis (Group-A) or double layered intestinal anastomosis (Group-B). Primary outcome measures included average time taken for anastomosis, postoperative complications, mean duration of hospital stay and cost of suture material used; secondary outcome measures assessed the postoperative return of bowel function. Statistical analysis was done by Chi-square test and student t-test. Results A total of 97 participants were randomized. Fifty patients were allocated to single layered extramucosal continuous anastomosis (Group-A) and 47 patients to double layered anastomosis (Group-B). The patients in each group were well matched for age, sex and diagnosis. The mean time taken for anastomosis (15.12±2.27 minutes in Group-A versus 24.38±2.26 minutes in Group-B) and the length of hospital stay (5.90±1.43 days in Group-A versus 7.29±1.89 days in Group-B) was significantly shorter in Group-A {p-value anastomosis. However, there was no significant difference in the complication rates between the two groups. Conclusion It can be concluded that single layered extramucosal continuous intestinal anastomosis is equally safe and perhaps more cost effective than the conventional double layered method and may represent the optimal choice for routine surgical practice. PMID:28764239

  12. Bandgap tunability at single-layer molybdenum disulphide grain boundaries

    KAUST Repository

    Huang, Yu Li

    2015-02-17

    Two-dimensional transition metal dichalcogenides have emerged as a new class of semiconductor materials with novel electronic and optical properties of interest to future nanoelectronics technology. Single-layer molybdenum disulphide, which represents a prototype two-dimensional transition metal dichalcogenide, has an electronic bandgap that increases with decreasing layer thickness. Using high-resolution scanning tunnelling microscopy and spectroscopy, we measure the apparent quasiparticle energy gap to be 2.40±0.05 eV for single-layer, 2.10±0.05 eV for bilayer and 1.75±0.05 eV for trilayer molybdenum disulphide, which were directly grown on a graphite substrate by chemical vapour deposition method. More interestingly, we report an unexpected bandgap tunability (as large as 0.85±0.05 eV) with distance from the grain boundary in single-layer molybdenum disulphide, which also depends on the grain misorientation angle. This work opens up new possibilities for flexible electronic and optoelectronic devices with tunable bandgaps that utilize both the control of two-dimensional layer thickness and the grain boundary engineering.

  13. Single-layer closure of typhoid enteric perforation: Our experience ...

    African Journals Online (AJOL)

    Materials and Methods: We retrospectively studied the effects of single versus double layer intestinal closure after typhoid enteric perforation with peritonitis in 902 pediatric patients from September 2007 to April 2012. All the patients underwent laparotomy after resuscitation and antibiotic cover. The patients were divided ...

  14. Kernel Function Tuning for Single-Layer Neural Networks

    Czech Academy of Sciences Publication Activity Database

    Vidnerová, Petra; Neruda, Roman

    -, accepted 28.11. 2017 (2018) ISSN 2278-0149 R&D Projects: GA ČR GA15-18108S Institutional support: RVO:67985807 Keywords : single-layer neural networks * kernel methods * kernel function * optimisation Subject RIV: IN - Informatics, Computer Science http://www.ijmerr.com/

  15. A General Method for Determining Molecular Interfaces and Layers.

    Czech Academy of Sciences Publication Activity Database

    Škvor, J.; Škvára, J.; Jirsák, Jan; Nezbeda, Ivo

    2017-01-01

    Roč. 76, SEP 2017 (2017), s. 17-35 ISSN 1093-3263 R&D Projects: GA ČR GA15-19542S Institutional support: RVO:67985858 Keywords : interface * molecular layers * percolating cluster Subject RIV: CF - Physical ; Theoretical Chemistry OBOR OECD: Physical chemistry Impact factor: 1.754, year: 2016

  16. Tear film lipid layer: A molecular level view

    Czech Academy of Sciences Publication Activity Database

    Cwiklik, Lukasz

    2016-01-01

    Roč. 1858, č. 10 (2016), s. 2421-2430 ISSN 0005-2736 R&D Projects: GA ČR GA15-14292S Institutional support: RVO:61388955 Keywords : tear film * tear film lipid layer * molecular dynamics simulations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.498, year: 2016

  17. A General Method for Determining Molecular Interfaces and Layers.

    Czech Academy of Sciences Publication Activity Database

    Škvor, J.; Škvára, J.; Jirsák, Jan; Nezbeda, Ivo

    2017-01-01

    Roč. 76, SEP 2017 (2017), s. 17-35 ISSN 1093-3263 R&D Projects: GA ČR GA15-19542S Institutional support: RVO:67985858 Keywords : interface * molecular layers * percolating cluster Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.754, year: 2016

  18. Quantum transport in superconducting hybrids : Molecular devices and layered materials

    NARCIS (Netherlands)

    Island, J.O.

    2016-01-01

    In this thesis we investigate superconducting hybrids made from two material systems, namely, molecules and layered materials. For studies of superconducting phenomena in molecular junctions we develop two platforms which rely on the superconducting proximity effect to preserve pre-existing nano-gap

  19. Single-mode theory of diffusive layers in thermohaline convection

    Science.gov (United States)

    Gough, D. O.; Toomre, J.

    1982-01-01

    A two-layer configuration of thermohaline convection is studied, with the principal aim of explaining the observed independence of the buoyancy-flux ratio on the stability parameter when the latter is large. Temperature is destabilizing and salinity is stabilizing, so diffusive interfaces separate the convecting layers. The convection is treated in the single-mode approximation, with a prescribed horizontal planform and wavenumber. Surveys of numerical solutions are presented for a selection of Rayleigh numbers R, stability parameters lambda and horizontal wavenumbers. The solutions yield a buoyancy flux ratio chi that is insensitive to lambda, in accord with laboratory experiments. However chi increases with increasing R, in contradiction to laboratory observations.

  20. Thermoelectric properties of single-layered SnSe sheet

    Science.gov (United States)

    Wang, Fancy Qian; Zhang, Shunhong; Yu, Jiabing; Wang, Qian

    2015-09-01

    Motivated by the recent study of inspiring thermoelectric properties in bulk SnSe [Zhao et al., Nature, 2014, 508, 373] and the experimental synthesis of SnSe sheets [Chen et al., J. Am. Chem. Soc., 2013, 135, 1213], we have carried out systematic calculations for a single-layered SnSe sheet focusing on its stability, electronic structure and thermoelectric properties by using density functional theory combined with Boltzmann transport theory. We have found that the sheet is dynamically and thermally stable with a band gap of 1.28 eV, and the figure of merit (ZT) reaches 3.27 (2.76) along the armchair (zigzag) direction with optimal n-type carrier concentration, which is enhanced nearly 7 times compared to its bulk counterpart at 700 K due to quantum confinement effect. Furthermore, we designed four types of thermoelectric couples by assembling single-layered SnSe sheets with different transport directions and doping types, and found that their efficiencies are all above 13%, which are higher than those of thermoelectric couples made of commercial bulk Bi2Te3 (7%-8%), suggesting the great potential of single-layered SnSe sheets for heat-electricity conversion.Motivated by the recent study of inspiring thermoelectric properties in bulk SnSe [Zhao et al., Nature, 2014, 508, 373] and the experimental synthesis of SnSe sheets [Chen et al., J. Am. Chem. Soc., 2013, 135, 1213], we have carried out systematic calculations for a single-layered SnSe sheet focusing on its stability, electronic structure and thermoelectric properties by using density functional theory combined with Boltzmann transport theory. We have found that the sheet is dynamically and thermally stable with a band gap of 1.28 eV, and the figure of merit (ZT) reaches 3.27 (2.76) along the armchair (zigzag) direction with optimal n-type carrier concentration, which is enhanced nearly 7 times compared to its bulk counterpart at 700 K due to quantum confinement effect. Furthermore, we designed four types of

  1. Thermoelectric Response in Single Quintuple Layer Bi2Te3

    KAUST Repository

    Sharma, S.

    2016-10-05

    Because Bi2Te3 belongs to the most important thermoelectric materials, the successful exfoliation of a single quintuple layer has opened access to an interesting two-dimensional material. For this reason, we study the thermoelectric properties of single quintuple layer Bi2Te3 by considering both the electron and phonon transport. On the basis of first-principles density functional theory, the electronic and phononic contributions are calculated by solving Boltzmann transport equations. The dependence of the lattice thermal conductivity on the phonon mean free path is evaluated along with the contributions of the acoustic and optical branches. We find that the thermoelectric response is significantly better for p- than for n-doping. By optimizing the carrier concentration, at 300 K, a ZT value of 0.77 is achieved, which increases to 2.42 at 700 K.

  2. Numerical test for single concrete armour layer on breakwaters

    OpenAIRE

    Anastasaki, E; Latham, J-P; Xiang, J

    2016-01-01

    The ability of concrete armour units for breakwaters to interlock and form an integral single layer is important for withstanding severe wave conditions. In reality, displacements take place under wave loading, whether they are small and insignificant or large and representing serious structural damage. In this work, a code that combines finite- and discrete-element methods which can simulate motion and interaction among units was used to conduct a numerical investigation. Various concrete ar...

  3. Raman spectroscopy of boron-doped single-layer graphene.

    Science.gov (United States)

    Kim, Yoong Ahm; Fujisawa, Kazunori; Muramatsu, Hiroyuki; Hayashi, Takuya; Endo, Morinobu; Fujimori, Toshihiko; Kaneko, Katsumi; Terrones, Mauricio; Behrends, Jan; Eckmann, Axel; Casiraghi, Cinzia; Novoselov, Kostya S; Saito, Riichiro; Dresselhaus, Mildred S

    2012-07-24

    The introduction of foreign atoms, such as nitrogen, into the hexagonal network of an sp(2)-hybridized carbon atom monolayer has been demonstrated and constitutes an effective tool for tailoring the intrinsic properties of graphene. Here, we report that boron atoms can be efficiently substituted for carbon in graphene. Single-layer graphene substitutionally doped with boron was prepared by the mechanical exfoliation of boron-doped graphite. X-ray photoelectron spectroscopy demonstrated that the amount of substitutional boron in graphite was ~0.22 atom %. Raman spectroscopy demonstrated that the boron atoms were spaced 4.76 nm apart in single-layer graphene. The 7-fold higher intensity of the D-band when compared to the G-band was explained by the elastically scattered photoexcited electrons by boron atoms before emitting a phonon. The frequency of the G-band in single-layer substitutionally boron-doped graphene was unchanged, which could be explained by the p-type boron doping (stiffening) counteracting the tensile strain effect of the larger carbon-boron bond length (softening). Boron-doped graphene appears to be a useful tool for engineering the physical and chemical properties of graphene.

  4. Molecular dynamics simulation of chemical sputtering of hydrogen atom on layer structured graphite

    International Nuclear Information System (INIS)

    Ito, A.; Wang, Y.; Irle, S.; Morokuma, K.; Nakamura, H.

    2008-10-01

    Chemical sputtering of hydrogen atom on graphite was simulated using molecular dynamics. Especially, the layer structure of the graphite was maintained by interlayer intermolecular interaction. Three kinds of graphite surfaces, flat (0 0 0 1) surface, armchair (1 1 2-bar 0) surface and zigzag (1 0 1-bar 0) surface, are dealt with as targets of hydrogen atom bombardment. In the case of the flat surface, graphene layers were peeled off one by one and yielded molecules had chain structures. On the other hand, C 2 H 2 and H 2 are dominant yielded molecules on the armchair and zigzag surfaces, respectively. In addition, the interaction of a single hydrogen isotope on a single graphene is investigated. Adsorption, reflection and penetration rates are obtained as functions of incident energy and explain hydrogen retention on layered graphite. (author)

  5. ZnO: Hydroquinone superlattice structures fabricated by atomic/molecular layer deposition

    International Nuclear Information System (INIS)

    Tynell, Tommi; Karppinen, Maarit

    2014-01-01

    Here we employ atomic layer deposition in combination with molecular layer deposition to deposit crystalline thin films of ZnO interspersed with single layers of hydroquinone in an effort to create hybrid inorganic–organic superlattice structures. The ratio of the ZnO and hydroquinone deposition cycles is varied between 199:1 and 1:1, and the structure of the resultant thin films is verified with X-ray diffraction and reflectivity techniques. Clear evidence of the formation of a superlattice-type structure is observed in the X-ray reflectivity patterns and the presence of organic bonds in the films corresponding to the structure of hydroquinone is confirmed with Fourier transform infrared spectroscopy measurements. We anticipate that hybrid superlattice structures such as the ones described in this work have the potential to be of great importance for future applications where the precise control of different inorganic and organic layers in hybrid superlattice materials is required. - Highlights: • Inorganic–organic superlattices can be made by atomic/molecular layer deposition. • This is demonstrated here for ZnO and hydroquinone (HQ). • The ratio of the ZnO and HQ layers is varied between 199:1 and 14:1. • The resultant thin films are crystalline

  6. Single-layer graphene on silicon nitride micromembrane resonators

    Energy Technology Data Exchange (ETDEWEB)

    Schmid, Silvan; Guillermo Villanueva, Luis; Amato, Bartolo; Boisen, Anja [Department of Micro- and Nanotechnology, Technical University of Denmark, DTU Nanotech, Building 345 East, 2800 Kongens Lyngby (Denmark); Bagci, Tolga; Zeuthen, Emil; Sørensen, Anders S.; Usami, Koji; Polzik, Eugene S. [QUANTOP, Niels Bohr Institute, University of Copenhagen, 2100 Copenhagen (Denmark); Taylor, Jacob M. [Joint Quantum Institute/NIST, College Park, Maryland 20899 (United States); Herring, Patrick K.; Cassidy, Maja C. [School of Engineering and Applied Science, Harvard University, Cambridge, Massachusetts 02138 (United States); Marcus, Charles M. [Center for Quantum Devices, Niels Bohr Institute, University of Copenhagen, 2100 Copenhagen (Denmark); Cheol Shin, Yong; Kong, Jing [Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

    2014-02-07

    Due to their low mass, high quality factor, and good optical properties, silicon nitride (SiN) micromembrane resonators are widely used in force and mass sensing applications, particularly in optomechanics. The metallization of such membranes would enable an electronic integration with the prospect for exciting new devices, such as optoelectromechanical transducers. Here, we add a single-layer graphene on SiN micromembranes and compare electromechanical coupling and mechanical properties to bare dielectric membranes and to membranes metallized with an aluminium layer. The electrostatic coupling of graphene covered membranes is found to be equal to a perfectly conductive membrane, without significantly adding mass, decreasing the superior mechanical quality factor or affecting the optical properties of pure SiN micromembranes. The concept of graphene-SiN resonators allows a broad range of new experiments both in applied physics and fundamental basic research, e.g., for the mechanical, electrical, or optical characterization of graphene.

  7. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    Science.gov (United States)

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  8. Understanding Molecular Interactions within Chemically Selective Layered Polymer Assemblies

    Energy Technology Data Exchange (ETDEWEB)

    Gary J. Blanchard

    2009-06-30

    This work focuses on two broad issues. These are (1) the molecular origin of the chemical selectivity achieved with ultrathin polymer multilayers, and (2) how the viscoelastic properties of the polymer layers are affected by exposure to solvent and analytes. These issues are inter-related, and to understand them we need to design experiments that probe both the energetic and kinetic aspects of interfacial adsorption processes. This project focuses on controling the chemical structure, thickness, morphology and sequential ordering of polymer layers bound to interfaces using maleimide-vinyl ether and closely related alternating copolymerization chemistry and efficient covalent cross-linking reactions that allow for layer-by-layer polymer deposition. This chemistry has been developed during the funding cycle of this Grant. We have measure the equilibrium constants for interactions between specific layers within the polymer interfaces and size-controlled, surface-functionalized gold nanoparticles. The ability to control both size and functionality of gold nanoparticle model analytes allows us to evaluate the average “pore size” that characterizes our polymer films. We have measured the “bulk” viscosity and shear modulus of the ultrathin polymer films as a function of solvent overlayer identity using quartz crystal microbalance complex impedance measurements. We have measured microscopic viscosity at specific locations within the layered polymer interfaces with time-resolved fluorescence lifetime and depolarization techniques. We combine polymer, cross-linking and nanoparticle synthetic expertise with a host of characterization techniques, including QCM gravimetry and complex impedance analysis, steady state and time-resolved spectroscopies.

  9. Molecular mechanics applied to single-walled carbon nanotubes

    OpenAIRE

    Ávila,Antonio Ferreira; Lacerda,Guilherme Silveira Rachid

    2008-01-01

    Single-walled carbon nanotubes, with stiffness of 1.0 TPa and strength of 60 GPa, are a natural choice for high strength materials. A problem, however, arises when experimental data are compiled. The large variability of experimental data leads to the development of numerical models denominated molecular mechanics, which is a "symbiotic" association of molecular dynamics and solid mechanics. This paper deals with molecular mechanics simulations of single-walled carbon nanotubes. To be able to...

  10. Squeezing molecularly thin alkane lubrication films: Layering transistions and wear

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, V. N.; Persson, B. N. J.

    2004-01-01

    The properties of alkane lubricants confined between two approaching solids are investigated by a model that accounts for the curvature and the elastic properties of the solid surfaces. We consider linear alkane molecules of different chain lengths, C(3)H(8); C(4)H(10); C(8)H(18); C(9)H(20); C(10)H......(22); C(12)H(26), and C(14)H(30) confined between smooth gold surfaces. We observe well-defined molecular layers develop in the lubricant film when the width of the film is of the order of a few atomic diameters. An external squeezing-pressure induces discontinuous changes in the number n of lubricant...

  11. Single-layer MoS2 transistors.

    Science.gov (United States)

    Radisavljevic, B; Radenovic, A; Brivio, J; Giacometti, V; Kis, A

    2011-03-01

    Two-dimensional materials are attractive for use in next-generation nanoelectronic devices because, compared to one-dimensional materials, it is relatively easy to fabricate complex structures from them. The most widely studied two-dimensional material is graphene, both because of its rich physics and its high mobility. However, pristine graphene does not have a bandgap, a property that is essential for many applications, including transistors. Engineering a graphene bandgap increases fabrication complexity and either reduces mobilities to the level of strained silicon films or requires high voltages. Although single layers of MoS(2) have a large intrinsic bandgap of 1.8 eV (ref. 16), previously reported mobilities in the 0.5-3 cm(2) V(-1) s(-1) range are too low for practical devices. Here, we use a halfnium oxide gate dielectric to demonstrate a room-temperature single-layer MoS(2) mobility of at least 200 cm(2) V(-1) s(-1), similar to that of graphene nanoribbons, and demonstrate transistors with room-temperature current on/off ratios of 1 × 10(8) and ultralow standby power dissipation. Because monolayer MoS(2) has a direct bandgap, it can be used to construct interband tunnel FETs, which offer lower power consumption than classical transistors. Monolayer MoS(2) could also complement graphene in applications that require thin transparent semiconductors, such as optoelectronics and energy harvesting.

  12. Single-layer and integrated YBCO gradiometer coupled SQUIDs

    Energy Technology Data Exchange (ETDEWEB)

    Baer, L.R.; Daalmans, G.M.; Barthel, K.H.; Ferchland, L.; Selent, M.; Kuehnl, M.; Uhl, D. [Siemens AG, Central Research and Development, Paul-Gossen-Strasse 100, D-91052 Erlangen (Germany)

    1996-04-01

    For many SQUID applications such as biomagnetism or non-destructive evaluation it is convenient or even necessary to work without the restrictions of a magnetically shielded room. This contribution deals with two sensors appropriate for this purpose. In the first concept we present a flip chip arrangement of a single-layer flux transformer and a single-layer SQUID, taking advantage of a simple technology. The SQUID was prepared on a 15x15 mm{sup 2} SrTiO{sub 3} 24 deg. bicrystal and located in the common line of two-parallel-loop arrangements. The flipped antenna was designed as a two-parallel-loop gradiometer with 26 mm baseline on a 10x40 mm{sup 2} LaAlO{sub 3} single-crystal substrate. A field gradient sensitivity of 1 nT cm{sup -1}{phi}{sub 0} was obtained. We could demonstrate a field gradient resolution of 20 fT cm{sup -1} Hz{sup 1/2} at 1 kHz in an unshielded environment. In the second concept we integrated both the flux antenna and the SQUID on a SrTiO{sub 3} bicrystal. The tighter coupling scheme results in smaller devices for similar field gradient sensitivities. The integrated SQUID is designed as a 3x8 mm{sup 2} device on a 10x10 mm{sup 2} bicrystal substrate. The remaining space is used for test structures and SQUIDs without antennae, in order to control the technology as well as the SQUID design. Parallel processed dummy substrates were used to monitor the quality of film growth by x-ray analysis. The quality of our SQUID design will be discussed on the basis of the measured field gradient sensitivity and noise. The reliability of the devices is demonstrated by an NDE type measurement. (author)

  13. Enhanced molecular dynamics for simulating porous interphase layers in batteries.

    Energy Technology Data Exchange (ETDEWEB)

    Zimmerman, Jonathan A.; Wong, Bryan Matthew; Jones, Reese E.; Templeton, Jeremy Alan; Lee, Jonathan (Rice University, Houston, TX)

    2009-10-01

    Understanding charge transport processes at a molecular level using computational techniques is currently hindered by a lack of appropriate models for incorporating anistropic electric fields in molecular dynamics (MD) simulations. An important technological example is ion transport through solid-electrolyte interphase (SEI) layers that form in many common types of batteries. These layers regulate the rate at which electro-chemical reactions occur, affecting power, safety, and reliability. In this work, we develop a model for incorporating electric fields in MD using an atomistic-to-continuum framework. This framework provides the mathematical and algorithmic infrastructure to couple finite element (FE) representations of continuous data with atomic data. In this application, the electric potential is represented on a FE mesh and is calculated from a Poisson equation with source terms determined by the distribution of the atomic charges. Boundary conditions can be imposed naturally using the FE description of the potential, which then propagates to each atom through modified forces. The method is verified using simulations where analytical or theoretical solutions are known. Calculations of salt water solutions in complex domains are performed to understand how ions are attracted to charged surfaces in the presence of electric fields and interfering media.

  14. Molecular simulation of dispersion and mechanical stability of organically modified layered silicates in polymer matrices

    Science.gov (United States)

    Fu, Yao-Tsung

    The experimental analysis of nanometer-scale separation processes and mechanical properties at buried interfaces in nanocomposites has remained difficult. We have employed molecular dynamics simulation in relation to available experimental data to alleviate such limitations and gain insight into the dispersion and mechanical stability of organically modified layered silicates in hydrophobic polymer matrices. We analyzed cleavage energies of various organically modified silicates as a function of the cation exchange capacity, surfactant head group chemistry, and chain length using MD simulations with the PCFF-PHYLLOSILICATE force field. The range of the cleavage energy is between 25 and 210 mJ/m2 upon the molecular structures and packing of surfactants. As a function of chain length, the cleavage energy indicates local minima for interlayer structures comprised of loosely packed layers of alkyl chains and local maxima for interlayer structures comprised of densely packed layers of alkyl chains between the layers. In addition, the distribution of cationic head groups between the layers in the equilibrium state determines whether large increases in cleavage energy due to Coulomb attraction. We have also examined mechanical bending and failure mechanisms of layered silicates on the nanometer scale using molecular dynamics simulation in comparison to a library of TEM data of polymer nanocomposites. We investigated the energy of single clay lamellae as a function of bending radius and different cation density. The layer energy increases particularly for bending radii below 20 nm and is largely independent of cation exchange capacity. The analysis of TEM images of agglomerated and exfoliated aluminosilicates of different CEC in polymer matrices at small volume fractions showed bending radii in excess of 100 nm due to free volumes in the polymer matrix. At a volume fraction >5%, however, bent clay layers were found with bending radii <20 nm and kinks as a failure mechanism

  15. Adsorption of metal adatoms on single-layer phosphorene.

    Science.gov (United States)

    Kulish, Vadym V; Malyi, Oleksandr I; Persson, Clas; Wu, Ping

    2015-01-14

    Single- or few-layer phosphorene is a novel two-dimensional direct-bandgap nanomaterial. Based on first-principles calculations, we present a systematic study on the binding energy, geometry, magnetic moment and electronic structure of 20 different adatoms adsorbed on phosphorene. The adatoms cover a wide range of valences, including s and p valence metals, 3d transition metals, noble metals, semiconductors, hydrogen and oxygen. We find that adsorbed adatoms produce a rich diversity of structural, electronic and magnetic properties. Our work demonstrates that phosphorene forms strong bonds with all studied adatoms while still preserving its structural integrity. The adsorption energies of adatoms on phosphorene are more than twice higher than on graphene, while the largest distortions of phosphorene are only ∼0.1-0.2 Å. The charge carrier type in phosphorene can be widely tuned by adatom adsorption. The unique combination of high reactivity with good structural stability is very promising for potential applications of phosphorene.

  16. Plasmon enhanced terahertz emission from single layer graphene.

    Science.gov (United States)

    Bahk, Young-Mi; Ramakrishnan, Gopakumar; Choi, Jongho; Song, Hyelynn; Choi, Geunchang; Kim, Yong Hyup; Ahn, Kwang Jun; Kim, Dai-Sik; Planken, Paul C M

    2014-09-23

    We show that surface plasmons, excited with femtosecond laser pulses on continuous or discontinuous gold substrates, strongly enhance the generation and emission of ultrashort, broadband terahertz pulses from single layer graphene. Without surface plasmon excitation, for graphene on glass, 'nonresonant laser-pulse-induced photon drag currents' appear to be responsible for the relatively weak emission of both s- and p-polarized terahertz pulses. For graphene on a discontinuous layer of gold, only the emission of the p-polarized terahertz electric field is enhanced, whereas the s-polarized component remains largely unaffected, suggesting the presence of an additional terahertz generation mechanism. We argue that in the latter case, 'surface-plasmon-enhanced optical rectification', made possible by the lack of inversion symmetry at the graphene on gold surface, is responsible for the strongly enhanced emission. The enhancement occurs because the electric field of surface plasmons is localized and enhanced where the graphene is located: at the surface of the metal. We believe that our results point the way to small, thin, and more efficient terahertz photonic devices.

  17. Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus.

    Science.gov (United States)

    Rudenko, A N; Brener, S; Katsnelson, M I

    2016-06-17

    We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to the scattering by flexural phonons dominate at any practically relevant temperatures and are independent of the carrier concentration n, two-phonon scattering in BP is less important and can be considered negligible at n≳10^{13}  cm^{-2}. At smaller n, however, phonons enter in the essentially anharmonic regime. Compared to the hole mobility, which does not exhibit strong anisotropy between the principal directions of BP (μ_{xx}/μ_{yy}∼1.4 at n=10^{13} cm^{-2} and T=300  K), the electron mobility is found to be significantly more anisotropic (μ_{xx}/μ_{yy}∼6.2). Absolute values of μ_{xx} do not exceed 250 (700)  cm^{2} V^{-1} s^{-1} for holes (electrons), which can be considered as an upper limit for the mobility in BP at room temperature.

  18. Synthesis of PbI(2) single-layered inorganic nanotubes encapsulated within carbon nanotubes.

    Science.gov (United States)

    Cabana, Laura; Ballesteros, Belén; Batista, Eudar; Magén, César; Arenal, Raúl; Oró-Solé, Judith; Rurali, Riccardo; Tobias, Gerard

    2014-04-02

    The template assisted growth of single-layered inorganic nanotubes is reported. Single-crystalline lead iodide single-layered nanotubes have been prepared using the inner cavities of carbon nanotubes as hosting templates. The diameter of the resulting inorganic nanotubes is merely dependent on the diameter of the host. This facile method is highly versatile opening up new horizons in the preparation of single-layered nanostructures. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Touch stimulated pulse generation in biomimetic single-layer graphene

    Science.gov (United States)

    Sul, Onejae; Chun, Hyunsuk; Choi, Eunseok; Choi, Jungbong; Cho, Kyeongwon; Jang, Dongpyo; Chun, Sungwoo; Park, Wanjun; Lee, Seung-Beck

    2016-02-01

    Detecting variation in contact pressure is a separate sensing mode in the human somatosensory system that differs from the detection of pressure magnitude. If pressure magnitude and variation sensing can be achieved simultaneously, an advanced biomimetic tactile system that better emulates human senses may be developed. We report on a novel single-layer graphene based artificial mechanoreceptor that generates a resistance pulse as the contact stimulus passes a specific threshold pressure, mimicking the generation of action potentials in a biological fast-adapting mechanoreceptor. The electric field from a flexible membrane gate electrode placed above a graphene channel raises the Fermi level from the valence band as pressure deflects the membrane. The threshold pressure is reached when the Fermi level crosses the Dirac point in the graphene energy band, which generates a sharp peak in the measured resistance. We found that by changing the gate potential it was possible to modulate the threshold pressure and using a series of graphene channels, a train of pulses were generated during a transient pressurizing stimulus demonstrating biomimetic behaviour.Detecting variation in contact pressure is a separate sensing mode in the human somatosensory system that differs from the detection of pressure magnitude. If pressure magnitude and variation sensing can be achieved simultaneously, an advanced biomimetic tactile system that better emulates human senses may be developed. We report on a novel single-layer graphene based artificial mechanoreceptor that generates a resistance pulse as the contact stimulus passes a specific threshold pressure, mimicking the generation of action potentials in a biological fast-adapting mechanoreceptor. The electric field from a flexible membrane gate electrode placed above a graphene channel raises the Fermi level from the valence band as pressure deflects the membrane. The threshold pressure is reached when the Fermi level crosses the Dirac

  20. BRCA Testing by Single-Molecule Molecular Inversion Probes

    NARCIS (Netherlands)

    Neveling, K.; Mensenkamp, A.R.; Derks, R; Kwint, M.P.; Ouchene, H.; Steehouwer, M.; Lier, L.A. van; Bosgoed, E.A.J.; Rikken, A.; Tychon, M.W.J.; Zafeiropoulou, D.; Castelein, S.; Hehir-Kwa, J.Y.; Thung, G.W.; Hofste, T.; Lelieveld, S.H.; Bertens, S.M.; Adan, I.B.; Eijkelenboom, A.; Tops, B.B.J.; Yntema, H.G.; Stokowy, T.; Knappskog, P.M.; Hoberg-Vetti, H.; Steen, V.M.; Boyle, E.; Martin, B.; Ligtenberg, M.J.L.; Shendure, J.; Nelen, M.R.; Hoischen, A.

    2017-01-01

    BACKGROUND: Despite advances in next generation DNA sequencing (NGS), NGS-based single gene tests for diagnostic purposes require improvements in terms of completeness, quality, speed, and cost. Single-molecule molecular inversion probes (smMIPs) are a technology with unrealized potential in the

  1. Electrical and optical transport properties of single layer WSe2

    Science.gov (United States)

    Tahir, M.

    2018-03-01

    The electronic properties of single layer WSe2 are distinct from the famous graphene due to strong spin orbit coupling, a huge band gap and an anisotropic lifting of the degeneracy of the valley degree of freedom under Zeeman field. In this work, band structure of the monolayer WSe2 is evaluated in the presence of spin and valley Zeeman fields to study the electrical and optical transport properties. Using Kubo formalism, an explicit expression for the electrical Hall conductivity is examined at finite temperatures. The electrical longitudinal conductivity is also evaluated. Further, the longitudinal and Hall optical conductivities are analyzed. It is observed that the contributions of the spin-up and spin-down states to the power absorption spectrum depend on the valley index. The numerical results exhibit absorption peaks as a function of photon energy, ℏ ω, in the range ∼ 1.5 -2 eV. Also, the optical response lies in the visible frequency range in contrast to the conventional two-dimensional electron gas or graphene where the response is limited to terahertz regime. This ability to isolate carriers in spin-valley coupled structures may make WSe2 a promising candidate for future spintronics, valleytronics and optical devices.

  2. Generalized single-hidden layer feedforward networks for regression problems.

    Science.gov (United States)

    Wang, Ning; Er, Meng Joo; Han, Min

    2015-06-01

    In this paper, traditional single-hidden layer feedforward network (SLFN) is extended to novel generalized SLFN (GSLFN) by employing polynomial functions of inputs as output weights connecting randomly generated hidden units with corresponding output nodes. The significant contributions of this paper are as follows: 1) a primal GSLFN (P-GSLFN) is implemented using randomly generated hidden nodes and polynomial output weights whereby the regression matrix is augmented by full or partial input variables and only polynomial coefficients are to be estimated; 2) a simplified GSLFN (S-GSLFN) is realized by decomposing the polynomial output weights of the P-GSLFN into randomly generated polynomial nodes and tunable output weights; 3) both P- and S-GSLFN are able to achieve universal approximation if the output weights are tuned by ridge regression estimators; and 4) by virtue of the developed batch and online sequential ridge ELM (BR-ELM and OSR-ELM) learning algorithms, high performance of the proposed GSLFNs in terms of generalization and learning speed is guaranteed. Comprehensive simulation studies and comparisons with standard SLFNs are carried out on real-world regression benchmark data sets. Simulation results demonstrate that the innovative GSLFNs using BR-ELM and OSR-ELM are superior to standard SLFNs in terms of accuracy, training speed, and structure compactness.

  3. [Single-layer colonic anastomoses using polyglyconate (Maxon) vs. two-layer anastomoses using chromic catgut and silk. Experimental study].

    Science.gov (United States)

    García-Osogobio, Sandra Minerva; Takahashi-Monroy, Takeshi; Velasco, Liliana; Gaxiola, Miguel; Sotres-Vega, Avelina; Santillán-Doherty, Patricio

    2006-01-01

    The safety of an intestinal anastomosis is usually measured by its complication rate, especially the incidence of anastomotic leakage. A wide variety of methods have been described to reestablish intestinal continuity including single-layer continuous or two-layer interrupted anastomosis. To evaluate if the single-layer continuous anastomosis using polygluconate is safer and reliable than two-layer interrupted anastomosis with chromic catgut and silk. A prospective, experimental, randomized and comparative analysis was conducted in 20 dogs. They were divided in two groups; group 1 underwent two-layer interrupted anastomosis and group 2 underwent sigle-layer continuous technique. Anastomoses were timed. Both groups were under observation. Anastomotic leakage, and other complications were evaluated. The animals were sacrified and the anastomosis was taken out together with 10 cm of colon on both sides of the anastomosis. Breaking strength, histologic evaluation and hydroxyproline determination were performed. Ten two-layer anastomosis and ten single-layer anastomosis were performed. A median of 25 minutes (range: 20-30 minutes) was required to construct the anastomoses in group 1 versus 20 minutes (range: 12-25 minutes) in group 2. All animals survived and no leakage was observed. Wound infection ocurred in four dogs (20%). Median breaking strength was 230 mm Hg in group 1 and 210 mm Hg in group 2. Hydroxyproline concentration was 8.94 mg/g in group 1 (range: 5.33-16.71) and 9.94 mg/g in group 2 (range: 2.96-21.87). There was no difference among groups about the inflammatory response evaluated by pathology. There was no statistical significance in any variable evaluated. CONCLUIONS: This study demonstrates that a single-layer continuous is similar in terms of safety to the two-layer technique, but because of its facility to perform, the single-layer technique could be superior.

  4. Plasma process-induced latent damage on gate oxide - demonstrated by single-layer and multi-layer antenna structures

    NARCIS (Netherlands)

    Wang, Zhichun; Ackaert, Jan; Salm, Cora; Kuper, F.G.

    2001-01-01

    In this paper, by using both single-layer (SL) and multi-layer (ML) or stacked antenna structures, a simple experimental method is proposed to directly demonstrate the pure plasma process-induced latent damage on gate oxide without any impact of additional defects generated by normal constant

  5. Single track and single layer formation in selective laser melting of niobium solid solution alloy

    Directory of Open Access Journals (Sweden)

    Yueling GUO

    2018-04-01

    Full Text Available Selective laser melting (SLM was employed to fabricate Nb-37Ti-13Cr-2Al-1Si (at% alloy, using pre-alloyed powders prepared by plasma rotating electrode processing (PREP. A series of single tracks and single layers under different processing parameters was manufactured to evaluate the processing feasibility by SLM, including laser power, scanning speed, and hatch distance. Results showed that continuous single tracks could be fabricated using proper laser powers and scanning velocities. Both the width of a single track and its penetration depth into a substrate increased with an increase of the linear laser beam energy density (LED, i.e., an increase of the laser power and a decrease of the scanning speed. Nb, Ti, Si, Cr, and Al elements distributed heterogeneously over the melt pool in the form of swirl-like patterns. An excess of the hatch distance was not able to interconnect neighboring tracks. Under improper processing parameters, a balling phenomenon occurred, but could be eliminated with an increased LED. This work testified the SLM-processing feasibility of Nb-based alloy and promoted the application of SLM to the manufacture of niobium-based alloys. Keywords: Additive manufacturing, Melt pool, Niobium alloy, Powder metallurgy, Selective laser melting

  6. Controlling molecular deposition and layer structure with supramolecular surface assemblies

    Science.gov (United States)

    Theobald, James A.; Oxtoby, Neil S.; Phillips, Michael A.; Champness, Neil R.; Beton, Peter H.

    2003-08-01

    Selective non-covalent interactions have been widely exploited in solution-based chemistry to direct the assembly of molecules into nanometre-sized functional structures such as capsules, switches and prototype machines. More recently, the concepts of supramolecular organization have also been applied to two-dimensional assemblies on surfaces stabilized by hydrogen bonding, dipolar coupling or metal co-ordination. Structures realized to date include isolated rows, clusters and extended networks, as well as more complex multi-component arrangements. Another approach to controlling surface structures uses adsorbed molecular monolayers to create preferential binding sites that accommodate individual target molecules. Here we combine these approaches, by using hydrogen bonding to guide the assembly of two types of molecules into a two-dimensional open honeycomb network that then controls and templates new surface phases formed by subsequently deposited fullerene molecules. We find that the open network acts as a two-dimensional array of large pores of sufficient capacity to accommodate several large guest molecules, with the network itself also serving as a template for the formation of a fullerene layer.

  7. Novel doping alternatives for single-layer transition metal dichalcogenides

    Science.gov (United States)

    Onofrio, Nicolas; Guzman, David; Strachan, Alejandro

    2017-11-01

    Successful doping of single-layer transition metal dichalcogenides (TMDs) remains a formidable barrier to their incorporation into a range of technologies. We use density functional theory to study doping of molybdenum and tungsten dichalcogenides with a large fraction of the periodic table. An automated analysis of the energetics, atomic and electronic structure of thousands of calculations results in insightful trends across the periodic table and points out promising dopants to be pursued experimentally. Beyond previously studied cases, our predictions suggest promising substitutional dopants that result in p-type transport and reveal interesting physics behind the substitution of the metal site. Doping with early transition metals (TMs) leads to tensile strain and a significant reduction in the bandgap. The bandgap increases and strain is reduced as the d-states are filled into the mid TMs; these trends reverse as we move into the late TMs. Additionally, the Fermi energy increases monotonously as the d-shell is filled from the early to mid TMs and we observe few to no gap states, indicating the possibility of both p- (early TMs) and n- (mid TMs) type doping. Quite surprisingly, the simulations indicate the possibility of interstitial doping of TMDs; the energetics reveal that a significant number of dopants, increasing in number from molybdenum disulfide to diselenide and to ditelluride, favor the interstitial sites over adsorbed ones. Furthermore, calculations of the activation energy associated with capturing the dopants into the interstitial site indicate that the process is kinetically possible. This suggests that interstitial impurities in TMDs are more common than thought to date and we propose a series of potential interstitial dopants for TMDs relevant for application in nanoelectronics based on a detailed analysis of the predicted electronic structures.

  8. Single-layer HDR video coding with SDR backward compatibility

    Science.gov (United States)

    Lasserre, S.; François, E.; Le Léannec, F.; Touzé, D.

    2016-09-01

    The migration from High Definition (HD) TV to Ultra High Definition (UHD) is already underway. In addition to an increase of picture spatial resolution, UHD will bring more color and higher contrast by introducing Wide Color Gamut (WCG) and High Dynamic Range (HDR) video. As both Standard Dynamic Range (SDR) and HDR devices will coexist in the ecosystem, the transition from Standard Dynamic Range (SDR) to HDR will require distribution solutions supporting some level of backward compatibility. This paper presents a new HDR content distribution scheme, named SL-HDR1, using a single layer codec design and providing SDR compatibility. The solution is based on a pre-encoding HDR-to-SDR conversion, generating a backward compatible SDR video, with side dynamic metadata. The resulting SDR video is then compressed, distributed and decoded using standard-compliant decoders (e.g. HEVC Main 10 compliant). The decoded SDR video can be directly rendered on SDR displays without adaptation. Dynamic metadata of limited size are generated by the pre-processing and used to reconstruct the HDR signal from the decoded SDR video, using a post-processing that is the functional inverse of the pre-processing. Both HDR quality and artistic intent are preserved. Pre- and post-processing are applied independently per picture, do not involve any inter-pixel dependency, and are codec agnostic. Compression performance, and SDR quality are shown to be solidly improved compared to the non-backward and backward-compatible approaches, respectively using the Perceptual Quantization (PQ) and Hybrid Log Gamma (HLG) Opto-Electronic Transfer Functions (OETF).

  9. Controlling single-molecule junction conductance by molecular interactions

    Science.gov (United States)

    Kitaguchi, Y.; Habuka, S.; Okuyama, H.; Hatta, S.; Aruga, T.; Frederiksen, T.; Paulsson, M.; Ueba, H.

    2015-01-01

    For the rational design of single-molecular electronic devices, it is essential to understand environmental effects on the electronic properties of a working molecule. Here we investigate the impact of molecular interactions on the single-molecule conductance by accurately positioning individual molecules on the electrode. To achieve reproducible and precise conductivity measurements, we utilize relatively weak π-bonding between a phenoxy molecule and a STM-tip to form and cleave one contact to the molecule. The anchoring to the other electrode is kept stable using a chalcogen atom with strong bonding to a Cu(110) substrate. These non-destructive measurements permit us to investigate the variation in single-molecule conductance under different but controlled environmental conditions. Combined with density functional theory calculations, we clarify the role of the electrostatic field in the environmental effect that influences the molecular level alignment. PMID:26135251

  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. Growth of layered superconductor β-PdBi{sub 2} films using molecular beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Denisov, N.V., E-mail: denisov@iacp.dvo.ru [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Matetskiy, A.V.; Tupkalo, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); Zotov, A.V. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation); Department of Electronics, Vladivostok State University of Economics and Service, 690600 Vladivostok (Russian Federation); Saranin, A.A. [Institute of Automation and Control Processes FEB RAS, 5 Radio Street, 690041 Vladivostok (Russian Federation); School of Natural Sciences, Far Eastern Federal University, 690950 Vladivostok (Russian Federation)

    2017-04-15

    Highlights: • Bulk β-PdBi{sub 2} is layered material with advanced properties of topological superconductor. • We present a method for growing β-PdBi{sub 2} films of a desired thickness. • Method utilizes MBE growth of β-PdBi{sub 2}, using Bi(111) film on Si(111) as a template. • Electronic and superconducting properties of the films are similar to those of bulk β-PdBi{sub 2}. - Abstract: Bulk β-PdBi{sub 2} layered material exhibits advanced properties and is supposed to be probable topological superconductor. We present a method based on molecular beam epitaxy that allows us to grow β-PdBi{sub 2} films from a single β-PdBi{sub 2} triple layer up to the dozens of triple layers, using Bi(111) film on Si(111) as a template. The grown films demonstrate structural, electronic and superconducting properties similar to those of bulk β-PdBi{sub 2} crystals. Ability to grow the β-PdBi{sub 2} films of desired thickness opens the promising possibilities to explore fascinating properties of this advanced material.

  12. 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.

  13. Tuning the band structure and superconductivity in single-layer FeSe by interface engineering.

    Science.gov (United States)

    Peng, R; Xu, H C; Tan, S Y; Cao, H Y; Xia, M; Shen, X P; Huang, Z C; Wen, C H P; Song, Q; Zhang, T; Xie, B P; Gong, X G; Feng, D L

    2014-09-26

    The interface between transition metal compounds provides a rich playground for emergent phenomena. Recently, significantly enhanced superconductivity has been reported for single-layer FeSe on Nb-doped SrTiO3 substrate. Yet it remains mysterious how the interface affects the superconductivity. Here we use in situ angle-resolved photoemission spectroscopy to investigate various FeSe-based heterostructures grown by molecular beam epitaxy, and uncover that electronic correlations and superconducting gap-closing temperature (Tg) are tuned by interfacial effects. Tg up to 75 K is observed in extremely tensile-strained single-layer FeSe on Nb-doped BaTiO3, which sets a record high pairing temperature for both Fe-based superconductor and monolayer-thick films, providing a promising prospect on realizing more cost-effective superconducting device. Moreover, our results exclude the direct correlation between superconductivity and tensile strain or the energy of an interfacial phonon mode, and highlight the critical and non-trivial role of FeSe/oxide interface on the high Tg, which provides new clues for understanding its origin.

  14. Electrochemistry at the edge of a single graphene layer in a nanopore

    DEFF Research Database (Denmark)

    Banerjee, Sutanuka; Shim, Jeong; Rivera, J.

    2013-01-01

    We study the electrochemistry of single layer graphene edges using a nanopore-based structure consisting of stacked graphene and AlO dielectric layers. Nanopores, with diameters ranging from 5 to 20 nm, are formed by an electron beam sculpting process on the stacked layers. This leads to a unique...

  15. Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient

    NARCIS (Netherlands)

    Dhont, J.K.G.; Briels, Willem J.

    2008-01-01

    The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer thickness is calculated and compared to experiments. The calculation is based on an extension of the Debye-Hückel theory for the double-layer structure that

  16. Tensile loading induced phase transition and rippling in single-layer MoS2

    Science.gov (United States)

    Bao, Hongwei; Huang, Yuhong; Yang, Zhi; Miao, Yaping; Chu, Paul K.; Xu, Kewei; Ma, Fei

    2017-05-01

    Molecular dynamics (MD) simulation is performed to study the structural evolution of single-layer MoS2 nanosheets under tensile loading and a phase transition from hexagonal structure to quadrilateral one is observed at a large strain when loaded along the zigzag direction but not along the armchair direction. Density functional theory (DFT) calculation illustrates that the newly generated quadrilateral phase is metallic. Further loading along the zigzag direction promotes an inhomogeneous distribution of lateral and shear stress around the phase boundaries due to local mechanical mismatch. As a result, periodic rippling parallel to the loading direction emerges and the wavelength and wave height change with strain according to λ∼ε-1/4 and h∼ε1/4. Accordingly, a graded distribution of strain can be produced or modulated by a simple tensile loading and the strategy might be utilized to enhance the photoelectrical properties of 2D materials and design strain-tunable nanodevices.

  17. Thermal vibration of rectangular single-layered black phosphorus predicted by orthotropic plate model

    Science.gov (United States)

    Zhang, Yiqing; Wang, Lifeng; Jiang, Jingnong

    2018-03-01

    Vibrational behavior is very important for nanostructure-based resonators. In this work, an orthotropic plate model together with a molecular dynamics (MD) simulation is used to investigate the thermal vibration of rectangular single-layered black phosphorus (SLBP). Two bending stiffness, two Poisson's ratios, and one shear modulus of SLBP are calculated using the MD simulation. The natural frequency of the SLBP predicted by the orthotropic plate model agrees with the one obtained from the MD simulation very well. The root of mean squared (RMS) amplitude of the SLBP is obtained by MD simulation and the orthotropic plate model considering the law of energy equipartition. The RMS amplitude of the thermal vibration of the SLBP is predicted well by the orthotropic plate model compared to the MD results. Furthermore, the thermal vibration of the SLBP with an initial stress is also well-described by the orthotropic plate model.

  18. Water desalination with a single-layer MoS2 nanopore

    Science.gov (United States)

    Heiranian, Mohammad; Farimani, Amir Barati; Aluru, Narayana R.

    2015-01-01

    Efficient desalination of water continues to be a problem facing the society. Advances in nanotechnology have led to the development of a variety of nanoporous membranes for water purification. Here we show, by performing molecular dynamics simulations, that a nanopore in a single-layer molybdenum disulfide can effectively reject ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 Å2. Water flux is found to be two to five orders of magnitude greater than that of other known nanoporous membranes. Pore chemistry is shown to play a significant role in modulating the water flux. Pores with only molybdenum atoms on their edges lead to higher fluxes, which are ∼70% greater than that of graphene nanopores. These observations are explained by permeation coefficients, energy barriers, water density and velocity distributions in the pores. PMID:26465062

  19. The strain rate effect on the buckling of single-layer MoS2.

    Science.gov (United States)

    Jiang, Jin-Wu

    2015-01-15

    The Euler buckling theory states that the buckling critical strain is an inverse quadratic function of the length for a thin plate in the static compression process. However, the suitability of this theory in the dynamical process is unclear, so we perform molecular dynamics simulations to examine the applicability of the Euler buckling theory for the fast compression of the single-layer MoS2. We find that the Euler buckling theory is not applicable in such dynamical process, as the buckling critical strain becomes a length-independent constant in the buckled system with many ripples. However, the Euler buckling theory can be resumed in the dynamical process after restricting the theory to an individual ripple in the buckled structure.

  20. A theoretical study of pump–probe experiment in single-layer ...

    Indian Academy of Sciences (India)

    Home; Journals; Pramana – Journal of Physics; Volume 82; Issue 6. A theoretical study of pump–probe experiment in single-layer, bilayer and multilayer graphene ... Here we use it as a tool to study the phenomenon of anomalous Rabi oscillations in graphene that was predicted recently in single-layer graphene.

  1. Novel single-layer gas diffusion layer based on PTFE/carbon black composite for proton exchange membrane fuel cell

    Energy Technology Data Exchange (ETDEWEB)

    Chen-Yang, Y.W.; Hung, T.F.; Yang, F.L. [Department of Chemistry and Center for Nanotechnology, Chung Yuan Christian University, Chung-Li 32023 (China); Huang, J. [Yeu Ming Tai Chemical Industrial Co., Ltd, Taichung 40768 (China)

    2007-11-08

    A series of poly(tetrafluoroethylene)/carbon black composite-based single-layer gas diffusion layers (PTFE/CB-GDLs) for proton exchange membrane fuel cell (PEMFC) was successfully prepared from carbon black and un-sintered PTFE, which included powder resin and colloidal dispersion, by a simple inexpensive method. The scanning electron micrographs of PTFE/CB-GDLs indicated that the PTFE resins were homogeneously dispersed in the carbon black matrix and showed a microporous layer (MPL)-like structure. The as-prepared PTFE/CB-GDLs exhibited good mechanical property, high gas permeability, and sufficient water repellency. The best current density obtained from the PEMFC with the single-layer PTFE/CB-GDL was 1.27 and 0.42 A cm{sup -2} for H{sub 2}/O{sub 2} and H{sub 2}/air system, respectively. (author)

  2. A single hidden layer feedforward network with only one neuron in the hidden layer can approximate any univariate function

    OpenAIRE

    Guliyev, Namig; Ismailov, Vugar

    2016-01-01

    The possibility of approximating a continuous function on a compact subset of the real line by a feedforward single hidden layer neural network with a sigmoidal activation function has been studied in many papers. Such networks can approximate an arbitrary continuous function provided that an unlimited number of neurons in a hidden layer is permitted. In this paper, we consider constructive approximation on any finite interval of $\\mathbb{R}$ by neural networks with only one neuron in the hid...

  3. Modification of single-walled carbon nanotube electrodes by layer-by-layer assembly for electrochromic devices

    OpenAIRE

    Jain, Vaibhav; Yochum, Henry M.; Montazami, Reza; Heflin, James R.; Hu, Liangbing; Gruner, George

    2008-01-01

    We have studied the morphological properties and electrochromic (EC) performance of polythiophene multilayer films on single wall carbon nanotube (SWCNT) conductive electrodes. The morphology for different numbers of layer-by-layer (LbL) bilayer on the SWCNT electrode has been characterized with atomic force microscopy and scanning electron microscope, and it was found that the LbL multilayers significantly decrease the surface roughness of the nanoporous nanotube films. The controlled surfac...

  4. Design of a Single-Layer Microchannel for Continuous Sheathless Single-Stream Particle Inertial Focusing.

    Science.gov (United States)

    Zhang, Yan; Zhang, Jun; Tang, Fei; Li, Weihua; Wang, Xiaohao

    2018-02-06

    High-throughput, high-precision single-stream focusing of microparticles has a potentially wide range of applications in biochemical analysis and clinical diagnosis. In this work, we develop a sheathless three-dimensional (3D) particle-focusing method in a single-layer microchannel. This novel microchannel consists of periodic high-aspect-ratio curved channels and straight channels. The proposed method takes advantage of both the curved channels, which induce Dean flow to promote particle migration, and straight channels, which suppress the remaining stirring effects of Dean flow to stabilize the achieved particle focusing. The 3D particle focusing is demonstrated experimentally, and the mechanism is analyzed theoretically. The effects of flow rate, particle size, and cycle number on the focusing performance were also investigated. The experimental results demonstrate that polystyrene particles with diameters of 5-20 μm can be focused into a 3D single file within seven channel cycles, with the focusing accuracy up to 98.5% and focusing rate up to 98.97%. The focusing throughput could reach up to ∼10 5 counts/min. Furthermore, its applicability to biological cells is also demonstrated by 3D focusing of HeLa and melanoma cells and bovine blood cells in the proposed microchannel. The proposed sheathless passive focusing scheme, featuring a simple channel structure, small footprint (9 mm × 1.2 mm), compact layout, and uncomplicated fabrication procedure, holds great promise as an efficient 3D focusing unit for the development of next-generation on-chip flow cytometry.

  5. Droplet Measurement below Single-Layer Grid Fill

    Directory of Open Access Journals (Sweden)

    Vitkovic Pavol

    2016-01-01

    Full Text Available The main part of the heat transfer in a cooling tower is in a fill zone. This one is consist of a cooling fill. For the cooling tower is used a film fill or grid fill or splash fill in the generally. The grid fill has lower heat transfer performance like film fill usually. But their advantage is high resistance to blockage of the fill. The grid fill is consisted with independent layers made from plastic usually. The layers consist of several bars connected to the different shapes. For experiment was used the rhombus shape. The drops diameter was measured above and below the Grid fill.

  6. Influence of cutting parameters on the depth of subsurface deformed layer in nano-cutting process of single crystal copper.

    Science.gov (United States)

    Wang, Quanlong; Bai, Qingshun; Chen, Jiaxuan; Su, Hao; Wang, Zhiguo; Xie, Wenkun

    2015-12-01

    Large-scale molecular dynamics simulation is performed to study the nano-cutting process of single crystal copper realized by single-point diamond cutting tool in this paper. The centro-symmetry parameter is adopted to characterize the subsurface deformed layers and the distribution and evolution of the subsurface defect structures. Three-dimensional visualization and measurement technology are used to measure the depth of the subsurface deformed layers. The influence of cutting speed, cutting depth, cutting direction, and crystallographic orientation on the depth of subsurface deformed layers is systematically investigated. The results show that a lot of defect structures are formed in the subsurface of workpiece during nano-cutting process, for instance, stair-rod dislocations, stacking fault tetrahedron, atomic clusters, vacancy defects, point defects. In the process of nano-cutting, the depth of subsurface deformed layers increases with the cutting distance at the beginning, then decreases at stable cutting process, and basically remains unchanged when the cutting distance reaches up to 24 nm. The depth of subsurface deformed layers decreases with the increase in cutting speed between 50 and 300 m/s. The depth of subsurface deformed layer increases with cutting depth, proportionally, and basically remains unchanged when the cutting depth reaches over 6 nm.

  7. Single-layer versus double-layer laparoscopic intracorporeally sutured gastrointestinal anastomoses in the canine model.

    Science.gov (United States)

    Tavakoli, Azine; Bakhtiari, Jalal; Khalaj, Ali Reza; Gharagozlou, Mohammad Javad; Veshkini, Abbas

    2010-01-01

    The objective of this study was to compare the gross and histopathologic changes following 1- versus 2-layer hand-sewn suture techniques in laparoscopic gastrointestinal anastomosis in dogs. This was an experimental prospective study of 16 healthy mixed breed male and female dogs. Animals were randomly divided into 2 groups. Two-layer side-to-side hand-sewn laparoscopic gastrojejunostomies were performed in group A, so that simple interrupted sutures were placed in the outer layer and simple continuous suture was used in the inner layer. The 1-layer simple continuous anastomosis between the stomach and jejunum was done in group B precisely. Specimen were collected from the sites of anastomosis, and H&E statining was performed for light microscopic studies. All animals survived the surgery. There was no gross inflammation, ischemia, apparent granulation tissue, abscess or fistula formation, leakage or stricture formation, and all sites of anastomosis were patent. Several adhesion formations were found in the abdomen with the higher incidence in the control group. Mean scores of leukocyte infiltration and granulation tissue formation at the sites of anastomosis were statistically insignificant between groups (P>0.05). Gross and histopathologic findings revealed that hand-sewn laparoscopic gastrointestinal anastomosis with the 1-layer suture technique is comparable to the 2-layer suture technique.

  8. Application of 3A molecular sieve layer in dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Yan, Yuan; Wang, Jinzhong, E-mail: jinzhong-wang@hit.edu.cn, E-mail: qingjiang.yu@hit.edu.cn; Yu, Qingjiang, E-mail: jinzhong-wang@hit.edu.cn, E-mail: qingjiang.yu@hit.edu.cn; Huang, Yuewu; Chang, Quanhong; Hao, Chunlei; Jiao, Shujie; Gao, Shiyong; Li, Hongtao; Wang, Dongbo [Department of Opto-Electric Information Science, School of Materials Science and Engineering, Harbin Institute of Technology, 150001 Harbin (China)

    2014-08-25

    3A molecular sieve layer was used as dehydration and electronic-insulation layer on the TiO{sub 2} electrode of dye-sensitized solar cells. This layer diminished the effect of water in electrolyte efficiently and enhanced the performance of cells. The conversion efficiency increased from 9.58% to 10.2%. The good moisture resistance of cells was attributed to the three-dimensional interconnecting structure of 3A molecular sieve with strong adsorption of water molecule. While the performance enhancement benefited from the suppression of the charge recombination of electronic-insulation layer and scattering effect of large particles.

  9. Molecular beam epitaxy of single crystal colossal magnetoresistive material

    International Nuclear Information System (INIS)

    Eckstein, J.N.; Bozovic, I.; Rzchowski, M.; O'Donnell, J.; Hinaus, B.; Onellion, M.

    1996-01-01

    The authors have grown films of (LaSr)MnO 3 (LSMO) and (LaCa)MnO 3 (LCMO) using atomic layer-by-layer molecular beam epitaxy (ALL-MBE). Depending on growth conditions, substrate lattice constant and the exact cation stoichiometry, the films are either pseudomorphic or strain relaxed. The pseudomorphic films show atomically flat surfaces, with a unit cell terrace structure that is a replica of that observed on the slightly vicinal substrates, while the strain relaxed films show bumpy surfaces correlated with a dislocation network. All films show tetragonal structure and exhibit anisotropic magnetoresistance, with a low field response, (1/R)(dR/dH) as large as 5 T -1

  10. Water structure near single and multi-layer nanoscopic hydrophobic ...

    Indian Academy of Sciences (India)

    Wintec

    Abstract. We have performed a series of molecular dynamics simulations of water containing two nano- scopic hydrophobic plates to investigate the modifications of the density and hydrogen bond distributions of water in the vicinity of the surfaces. Our primary goal is to look at the effects of plate thickness, solute–.

  11. Ultra-thin, single-layer polarization rotator

    Energy Technology Data Exchange (ETDEWEB)

    Son, T. V.; Truong, V. V., E-mail: Truong.Vo-Van@Concordia.Ca [Department of Physics, Concordia University, Montreal, Quebec, H4B 1R6 (Canada); Do, P. A.; Haché, A. [Département de Physique et d’Astronomie, Université de Moncton, Moncton, New Brunswick, E1A 3E9 (Canada)

    2016-08-15

    We demonstrate light polarization control over a broad spectral range by a uniform layer of vanadium dioxide as it undergoes a phase transition from insulator to metal. Changes in refractive indices create unequal phase shifts on s- and p-polarization components of incident light, and rotation of linear polarization shows intensity modulation by a factor of 10{sup 3} when transmitted through polarizers. This makes possible polarization rotation devices as thin as 50 nm that would be activated thermally, optically or electrically.

  12. Probing single nanometer-scale pores with polymeric molecular rulers

    Science.gov (United States)

    Henrickson, Sarah E.; DiMarzio, Edmund A.; Wang, Qian; Stanford, Vincent M.; Kasianowicz, John J.

    2010-04-01

    We previously demonstrated that individual molecules of single-stranded DNA can be driven electrophoretically through a single Staphylococcus aureus α-hemolysin ion channel. Polynucleotides thread through the channel as extended chains and the polymer-induced ionic current blockades exhibit stable modes during the interactions. We show here that polynucleotides can be used to probe structural features of the α-hemolysin channel itself. Specifically, both the pore length and channel aperture profile can be estimated. The results are consistent with the channel crystal structure and suggest that polymer-based "molecular rulers" may prove useful in deducing the structures of nanometer-scale pores in general.

  13. Band Alignment at GaN/Single-Layer WSe2 Interface

    KAUST Repository

    Tangi, Malleswararao

    2017-02-21

    We study the band discontinuity at the GaN/single-layer (SL) WSe2 heterointerface. The GaN thin layer is epitaxially grown by molecular beam epitaxy on chemically vapor deposited SL-WSe2/c-sapphire. We confirm that the WSe2 was formed as an SL from structural and optical analyses using atomic force microscopy, scanning transmission electron microscopy, micro-Raman, absorbance, and microphotoluminescence spectra. The determination of band offset parameters at the GaN/SL-WSe2 heterojunction is obtained by high-resolution X-ray photoelectron spectroscopy, electron affinities, and the electronic bandgap values of SL-WSe2 and GaN. The valence band and conduction band offset values are determined to be 2.25 ± 0.15 and 0.80 ± 0.15 eV, respectively, with type II band alignment. The band alignment parameters determined here provide a route toward the integration of group III nitride semiconducting materials with transition metal dichalcogenides (TMDs) for designing and modeling of their heterojunction-based electronic and optoelectronic devices.

  14. Lattice Vibration of Layered GaTe Single Crystals

    Directory of Open Access Journals (Sweden)

    Tao Wang

    2018-02-01

    Full Text Available The effect of interlayer interaction on in-layer structure of laminar GaTe crystals was studied according to the lattice vibration using micro-Raman analysis. The results were also confirmed by the first principle calculations. Accordingly, the relationship between lattice vibration and crystal structure was established. Ten peaks were observed in the micro-Raman spectra from 100 cm−1 to 300 cm−1. Eight of them fit Raman-active vibration modes and the corresponding displacement vectors were calculated, which proved that the two modes situated at 128.7 cm−1 and 145.7 cm−1 were related to the lattice vibration of GaTe, instead of impurities or defects. Davydov splitting in GaTe was identified and confirmed by the existence of the other two modes, conjugate modes, at 110.7 cm−1 (∆ω = 33.1 cm−1 and 172.5 cm−1 (∆ω = 49.5 cm−1, indicates that the weak interlayer coupling has a significant effect on lattice vibrations in the two-layer monoclinic unit cell. Our results further proved the existence of two layers in each GaTe unit cell.

  15. Plasmon resonance in single- and double-layer CVD graphene nanoribbons

    DEFF Research Database (Denmark)

    Wang, Di; Emani, Naresh K.; Chung, Ting Fung

    2015-01-01

    Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015.......Dynamic tunability of the plasmonic resonance in graphene nanoribbons is desirable in the near-infrared. We demonstrated a constant blue shift of plasmonic resonances in double-layer graphene nanoribbons with respect to single-layer graphene nanoribbons. © OSA 2015....

  16. Probing the Molecular Ordering and Thermal Stability of Azopolymer Layer-by-Layer Films by Second-Harmonic Generation.

    Science.gov (United States)

    Silva, Heurison S; Miranda, Paulo B

    2016-10-04

    Polyelectrolyte layer-by-layer (LbL) films have many applications, but several parameters and procedures during film fabrication determine their morphology and molecular arrangement, with important practical consequences. Here we have used optical second-harmonic generation (SHG) to investigate the molecular ordering of LbL films containing the anionic azopolymer PS-119 and the cationic polyelectrolyte PAH. We show that spontaneous drying leads to laterally homogeneous and isotropic films, while the opposite occurs for nitrogen-flow drying. The effect of film thickness and pH of the assembling/rinsing solutions on the molecular ordering was also investigated. The optical nonlinearity tends to significantly decrease for thicker films (∼10 bilayers), and a slight alternation of SHG intensity for films with odd or even number of layers (complete vs incomplete bilayers) was also observed, which results from the reorientation of azopolymer groups in the last layer after adsorption of an additional PAH layer. We propose a qualitative electrostatic model to explain the pH dependence of film growth and azopolymer orientation, which is based on changes of the charge density of the substrate and PAH and on different ionic screening of electrostatic interactions at various pH values. We also found that the nonlinear response presents a gradual and significant reduction upon heating, which is inconsistent with a glass transition temperature for these ultrathin LbL films. The thermal stability is improved with a combination of low ionic strength and higher charge density of the polyelectrolytes and substrate, which promotes better interlayer complexation. The SHG signal is recovered upon cooling, although for some conditions the molecular arrangement became anisotropic after a heating/cooling cycle. Such detailed information about the structural order of thin nonlinear optical azopolymer LbL films demonstrates that SHG is a powerful technique to probe the film structure at

  17. Single layer of Ge quantum dots in HfO2for floating gate memory capacitors.

    Science.gov (United States)

    Lepadatu, A M; Palade, C; Slav, A; Maraloiu, A V; Lazanu, S; Stoica, T; Logofatu, C; Teodorescu, V S; Ciurea, M L

    2017-04-28

    High performance trilayer memory capacitors with a floating gate of a single layer of Ge quantum dots (QDs) in HfO 2 were fabricated using magnetron sputtering followed by rapid thermal annealing (RTA). The layer sequence of the capacitors is gate HfO 2 /floating gate of single layer of Ge QDs in HfO 2 /tunnel HfO 2 /p-Si wafers. Both Ge and HfO 2 are nanostructured by RTA at moderate temperatures of 600-700 °C. By nanostructuring at 600 °C, the formation of a single layer of well separated Ge QDs with diameters of 2-3 nm at a density of 4-5 × 10 15 m -2 is achieved in the floating gate (intermediate layer). The Ge QDs inside the intermediate layer are arranged in a single layer and are separated from each other by HfO 2 nanocrystals (NCs) about 8 nm in diameter with a tetragonal/orthorhombic structure. The Ge QDs in the single layer are located at the crossing of the HfO 2 NCs boundaries. In the intermediate layer, besides Ge QDs, a part of the Ge atoms is segregated by RTA at the HfO 2 NCs boundaries, while another part of the Ge atoms is present inside the HfO 2 lattice stabilizing the tetragonal/orthorhombic structure. The fabricated capacitors show a memory window of 3.8 ± 0.5 V and a capacitance-time characteristic with 14% capacitance decay in the first 3000-4000 s followed by a very slow capacitance decrease extrapolated to 50% after 10 years. This high performance is mainly due to the floating gate of a single layer of well separated Ge QDs in HfO 2 , distanced from the Si substrate by the tunnel oxide layer with a precise thickness.

  18. A COMPARATIVE STUDY OF SINGLE VERSUS DOUBLE LAYER CLOSURE ON LOWER SEGMENT CAESAREAN SCAR

    Directory of Open Access Journals (Sweden)

    Kirtirekha Mohapatra

    2016-10-01

    Full Text Available BACKGROUND There are few issues in modern obstetrics that have been as controversial as management of a woman with a prior caesarean delivery. Hence, it is required to have evidence based correct practice of this surgical procedure. Healing of the uterine incision and the strength of the scar should be the most important consideration. The aim of the study is to compare the effect of technique of uterine closure (Single Layer vs. Double Layer on subsequent pregnancies and to find out, which technique has a better maternal and neonatal outcome by strengthening the scar. MATERIALS AND METHODS 500 cases of previous caesarean section pregnancies were taken, 250 from single layer closure group and 250 from double layer closure group. The mode of delivery during present pregnancy was noted. Integrity of scar, thickness of scar, presence of adhesion were documented. The neonates were observed. Results were compared so as to draw an inference about the better method. RESULTS Mean age between the two groups were similar. Majority did not have history of premature rupture of membrane during previous pregnancy. Postoperative complications were more when double layer closure of uterine scar was done in index surgery. Interpregnancy gap of <3 years was more commonly present in double layer closure group (52.8% in double layer versus 34.8% in single layer. Single layer had more scar tenderness (21.2%, thinned out scars (34.6%, incomplete ruptures (7.1% and complete ruptures (2.8% than double layer closure group. Neonatal outcomes were not statistically different in both the groups. CONCLUSION Double layer uterine closure seems to have better impact on scar integrity as compared to single layer uterine closure.

  19. Single layer graphene electrodes for quantum dot-light emitting diodes

    Science.gov (United States)

    Yan, Long; Zhang, Yu; Zhang, Xiaoyu; Zhao, Jia; Wang, Yu; Zhang, Tieqiang; Jiang, Yongheng; Gao, Wenzhu; Yin, Jingzhi; Zhao, Jun; Yu, William W.

    2015-03-01

    Single layer graphene was employed as the electrode in quantum dot-light emitting diodes (QD-LEDs) to replace indium tin oxide (ITO). The graphene layer demonstrated low surface roughness, good hole injection ability, and proper work function matching with the poly (3,4-ethylenedioxythiophene):poly (styrenesulfonate) layer. Together with the hole transport layer and electron transport layer, the fabricated QD-LED showed good current efficiency and power efficiency, which were even higher than an ITO-based similar device under low current density. The result indicates that graphene can be used as anodes to replace ITO in QD-LEDs.

  20. Supramolecular Layer-by-Layer Assembly of 3D Multicomponent Nanostructures via Multivalent Molecular Recognition

    NARCIS (Netherlands)

    Ling, X.Y.; Phang, In Yee; Reinhoudt, David; Vancso, Gyula J.; Huskens, Jurriaan

    2008-01-01

    The supramolecular layer-by-layer assembly of 3D multicomponent nanostructures of nanoparticles is demonstrated. Nanoimprint lithography (NIL) was used as the patterning tool for making patterned β-cyclodextrin (CD) self-assembled monolayers (SAMs) and for the confinement of nanoparticles on the

  1. Ultra-thin, single-layer polarization rotator

    Directory of Open Access Journals (Sweden)

    T. V. Son

    2016-08-01

    Full Text Available We demonstrate light polarization control over a broad spectral range by a uniform layer of vanadium dioxide as it undergoes a phase transition from insulator to metal. Changes in refractive indices create unequal phase shifts on s- and p-polarization components of incident light, and rotation of linear polarization shows intensity modulation by a factor of 103 when transmitted through polarizers. This makes possible polarization rotation devices as thin as 50 nm that would be activated thermally, optically or electrically.

  2. Heat-resistant organic molecular layer as a joint interface for metal reduction on plastics surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Sang, Jing [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Aisawa, Sumio, E-mail: aisawa@iwate-u.ac.jp [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Hirahara, Hidetoshi [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Kudo, Takahiro [Sulfur Chemical Institute, 210, Collabo MIU, 4-3-5, Ueda, Morioka 020-0066 (Japan); Mori, Kunio [Department of Frontier Materials and Function Engineering, Graduate School of Engineering, Iwate University, 4-3-5 Ueda, Morioka 020-8551 (Japan); Sulfur Chemical Institute, 210, Collabo MIU, 4-3-5, Ueda, Morioka 020-0066 (Japan)

    2016-04-15

    Graphical abstract: - Highlights: • In situ adsorption behaviors of TES on PA6 surface were clarified by QCM. • Highest adsorption of TES on PA6 was obtained in pH 3 and 0.1 M solution. • Molecular layers of TES with uniform structures were prepared on PA6 surface. • TES layer improved PA6 local heat resistance from 150 °C to 230 °C. • TES molecular layer successfully reduced Ag ion to Ag{sup 0}. - Abstract: Heat-resistant organic molecular layers have been fabricated by triazine-based silane coupling agent for metal reduction on plastic surfaces using adsorption method. These molecular layers were used as an interfacial layer between polyamide (PA6) and metal solution to reduce Ag{sup +} ion to Ag{sup 0}. The interfacial behaviors of triazine molecular layer at the interfaces between PA6 and Ag solution were investigated using quartz crystal microbalance (QCM). The kinetics of molecular adsorption on PA6 was investigated by using triazine-based silane coupling agent solutions at different pH and concentration. X-ray photoelectron spectroscopy (XPS), atomic force microscope (AFM), and local nano thermal analysis were employed to characterize the surfaces and interfaces. The nano thermal analysis results show that molecular layers of triazine-based silane coupling agent greatly improved heat resistance of PA6 resin from 170 °C up to 230 °C. This research developed an in-depth insight for molecular behaviors of triazine-based silane coupling agent at the PA6 and Ag solution interfaces and should be of significant value for interfacial research between plastics and metal solution in plating industry.

  3. Fabrication of a single layer graphene by copper intercalation on a SiC(0001) surface

    International Nuclear Information System (INIS)

    Yagyu, Kazuma; Tochihara, Hiroshi; Tomokage, Hajime; Suzuki, Takayuki; Tajiri, Takayuki; Kohno, Atsushi; Takahashi, Kazutoshi

    2014-01-01

    Cu atoms deposited on a zero layer graphene grown on a SiC(0001) substrate, intercalate between the zero layer graphene and the SiC substrate after the thermal annealing above 600 °C, forming a Cu-intercalated single layer graphene. On the Cu-intercalated single layer graphene, a graphene lattice with superstructure due to moiré pattern is observed by scanning tunneling microscopy, and specific linear dispersion at the K ¯ point as well as a characteristic peak in a C 1s core level spectrum, which is originated from a free-standing graphene, is confirmed by photoemission spectroscopy. The Cu-intercalated single layer graphene is found to be n-doped

  4. Study of the mechanical properties of single- layer and multi-layer metallic coatings with protective-decorative applications

    Directory of Open Access Journals (Sweden)

    Cherneva Sabina

    2018-01-01

    Full Text Available Single thin coating of matt nickel (Nimat, a mirror bright copper (Cubright, a mirror bright nickel (Nibright and their combinations were electrochemically deposited on brass substrate with thickness 500 μm. The basic aim was electrodeposition of two-layer Cubright/Nimat and Nibright/Cubright systems, and three-layer Nibright Cubrigh/Nimat system, which are among the most widely applied protective and decorative systems in light and medium operating conditions of corrosion. The thicknesses of the obtained films varied from 1 μm to 3.25 μm. They were investigated via nanoindentation experiments, in order to characterize their basic physical and mechanical characteristics, related with their good adhesion and corrosion protective ability, as well as ensuring the integrity of the system “protective coating/substrate” to possible mechanical, dynamic and/or thermal stresses. As a result, load-displacement curves were obtained and indentation hardness and indentation modulus were calculated using the Oliver & Pharr approximation method. The dependence of the indentation modulus and the indentation hardness on the depth of the indentation, surface morphology and structure of the obtained coatings, their texture and surface roughness were investigated too. The obtained results showed that the three-layer Nibright/Cubright /Niimat/CuZn37 system has highest indentation modulus and indentation hardness, following by two-layer Nibright/Cubright system and single layer coatings.

  5. Single-layer Ultralight, Flexible, Shielding Tension Shell System for Extreme Heat and Radiation

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this project is to develop a flexible thermal protection system (FTPS) with a Boron Nitride Nanotube (BNNT)-based single-layer, lightweight,...

  6. Diverse and tunable electronic structures of single-layer metal phosphorus trichalcogenides for photocatalytic water splitting

    International Nuclear Information System (INIS)

    Liu, Jian; Li, Xi-Bo; Wang, Da; Liu, Li-Min; Lau, Woon-Ming; Peng, Ping

    2014-01-01

    The family of bulk metal phosphorus trichalcogenides (APX 3 , A = M II , M 0.5 I M 0.5 III ; X = S, Se; M I , M II , and M III represent Group-I, Group-II, and Group-III metals, respectively) has attracted great attentions because such materials not only own magnetic and ferroelectric properties, but also exhibit excellent properties in hydrogen storage and lithium battery because of the layered structures. Many layered materials have been exfoliated into two-dimensional (2D) materials, and they show distinct electronic properties compared with their bulks. Here we present a systematical study of single-layer metal phosphorus trichalcogenides by density functional theory calculations. The results show that the single layer metal phosphorus trichalcogenides have very low formation energies, which indicates that the exfoliation of single layer APX 3 should not be difficult. The family of single layer metal phosphorus trichalcogenides exhibits a large range of band gaps from 1.77 to 3.94 eV, and the electronic structures are greatly affected by the metal or the chalcogenide atoms. The calculated band edges of metal phosphorus trichalcogenides further reveal that single-layer ZnPSe 3 , CdPSe 3 , Ag 0.5 Sc 0.5 PSe 3 , and Ag 0.5 In 0.5 PX 3 (X = S and Se) have both suitable band gaps for visible-light driving and sufficient over-potentials for water splitting. More fascinatingly, single-layer Ag 0.5 Sc 0.5 PSe 3 is a direct band gap semiconductor, and the calculated optical absorption further convinces that such materials own outstanding properties for light absorption. Such results demonstrate that the single layer metal phosphorus trichalcogenides own high stability, versatile electronic properties, and high optical absorption, thus such materials have great chances to be high efficient photocatalysts for water-splitting

  7. Single-layer skull approximations perform well in transcranial direct current stimulation modeling

    NARCIS (Netherlands)

    Rampersad, S.M.; Stegeman, D.F.; Oostendorp, T.F.

    2013-01-01

    In modeling the effect of transcranial direct current stimulation, the representation of the skull is an important factor. In a spherical model, we compared a realistic skull modeling approach, in which the skull consisted of three isotropic layers, to anisotropic and isotropic single-layer

  8. A single molecular marker to distinguish between species of Dioscorea.

    Science.gov (United States)

    Techen, Natascha; Parveen, Iffat; Khan, Ikhlas A

    2017-03-01

    Yams are species of the genus Dioscorea (family Dioscoreaceae), which consists of approximately 630 species. The majority of the world production of yams occurs in Africa with 58.8 million t annually, but they are also produced in the Americas and Asia. The saponins in yams have been reported to possess various properties to improve health. The tuber and aerial parts of various species often share morphological similarities, which can cause problems in the proper identification of sample material. For example, the rootstocks and aerial parts of Dioscorea villosa L. share similarities with Dioscorea polystachia Turcz. Dioscorea bulbifera L. may be mistaken for Dioscorea alata L. owing to similar morphologies. Various molecular analyses have been published to help with the identification of species and varieties within the genus Dioscorea. The multi-loci or single-locus analysis has resulted in varying success, some with only a limited discrimination rate. In the present study, a single nuclear genomic region, biparentally inherited, was analyzed for its usefulness as a molecular marker for species identification and discrimination between D. bulbifera, D. villosa, D. nipponica, D. alata, D. caucasica, and D. deltoidea samples. The results of this study show that the LFY genomic region can be useful as a molecular marker to distinguish between samples.

  9. Simulation study on single event burnout in linear doping buffer layer engineered power VDMOSFET

    International Nuclear Information System (INIS)

    Jia Yunpeng; Su Hongyuan; Hu Dongqing; Wu Yu; Jin Rui

    2016-01-01

    The addition of a buffer layer can improve the device's secondary breakdown voltage, thus, improving the single event burnout (SEB) threshold voltage. In this paper, an N type linear doping buffer layer is proposed. According to quasi-stationary avalanche simulation and heavy ion beam simulation, the results show that an optimized linear doping buffer layer is critical. As SEB is induced by heavy ions impacting, the electric field of an optimized linear doping buffer device is much lower than that with an optimized constant doping buffer layer at a given buffer layer thickness and the same biasing voltages. Secondary breakdown voltage and the parasitic bipolar turn-on current are much higher than those with the optimized constant doping buffer layer. So the linear buffer layer is more advantageous to improving the device's SEB performance. (paper)

  10. High power laser interaction with single and double layer targets

    Czech Academy of Sciences Publication Activity Database

    Borodziuk, S.; Demchenko, N. N.; Gus'kov, S. Yu.; Jungwirth, Karel; Kálal, M.; Kasperczuk, A.; Kondrashov, V. N.; Králiková, Božena; Krouský, Eduard; Limpouch, Jiří; Mašek, Karel; Pisarczyk, P.; Pisarczyk, T.; Pfeifer, Miroslav; Rohlena, Karel; Rozanov, V. B.; Skála, Jiří; Ullschmied, Jiří

    2005-01-01

    Roč. 35, č. 2 (2005), s. 241-262 ISSN 0078-5466 R&D Projects: GA MŠk(CZ) LN00A100; GA AV ČR(CZ) KSK2043105 Grant - others:EU(XE) HPRI-CT-1999-00053; RFBR(RU) 02-02-16966; IAEA(XE) 11655/RBF; INTAS(XX) 01-0572 Institutional research plan: CEZ:AV0Z10100523; CEZ:AV0Z20430508 Keywords : laser produced plasma * three-frame interferometry * macroparticle * single and double targets * crater * shock wave * laser energy absorption Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.459, year: 2005

  11. Molecular single photon double K-shell ionization

    International Nuclear Information System (INIS)

    Penent, F.; Nakano, M.; Tashiro, M.; Grozdanov, T.P.; Žitnik, M.; Carniato, S.; Selles, P.; Andric, L.; Lablanquie, P.; Palaudoux, J.; Shigemasa, E.; Iwayama, H.; Hikosaka, Y.; Soejima, K.; Suzuki, I.H.; Kouchi, N.; Ito, K.

    2014-01-01

    We have studied single photon double K-shell ionization of small molecules (N 2 , CO, C 2 H 2n (n = 1–3), …) and the Auger decay of the resulting double core hole (DCH) molecular ions thanks to multi-electron coincidence spectroscopy using a magnetic bottle time-of-flight spectrometer. The relative cross-sections for single-site (K −2 ) and two-site (K −1 K −1 ) double K-shell ionization with respect to single K-shell (K −1 ) ionization have been measured that gives important information on the mechanisms of single photon double ionization. The spectroscopy of two-site (K −1 K −1 ) DCH states in the C 2 H 2n (n = 1–3) series shows important chemical shifts due to a strong dependence on the C-C bond length. In addition, the complete cascade Auger decay following single site (K −2 ) ionization has been obtained

  12. Device physics of single layer organic light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Crone, B.K.; Campbell, I.H.; Davids, P.S.; Smith, D.L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Neef, C.J.; Ferraris, J.P. [The University of Texas at Dallas, Richardson, Texas 75080 (United States)

    1999-11-01

    We present experimental and device model results for electron only, hole only, and bipolar organic light-emitting diodes fabricated using a soluble poly ({ital p}-phenylene vinylene) based polymer. Current{endash}voltage (I{endash}V) characteristics were measured for a series of electron only devices in which the polymer thickness was varied. The I{endash}V curves were described using a device model from which the electron mobility parameters were extracted. Similarly, the hole mobility parameters were extracted using a device model description of I{endash}V characteristics for a series of hole only devices where the barrier to hole injection was varied by appropriate choices of hole injecting electrode. The electron and hole mobilities extracted from the single carrier devices are then used, without additional adjustable parameters, to describe the measured current{endash}voltage characteristics of a series of bipolar devices where both the device thickness and contacts were varied. The model successfully describes the I{endash}V characteristics of single carrier and bipolar devices as a function of polymer thickness and for structures that are contact limited, space charge limited, and for cases in between. We find qualitative agreement between the device model and measured external luminance for a thickness series of devices. We investigate the sensitivity of the device model calculations to the magnitude of the bimolecular recombination rate prefactor. {copyright} {ital 1999 American Institute of Physics.}

  13. Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment

    Science.gov (United States)

    Shao, Yangfan; Pang, Rui; Pan, Hui; Shi, Xingqiang

    2018-03-01

    The interfaces between organic molecules and magnetic metals have gained increasing interest for both fundamental reasons and applications. Among them, the C60/layered antiferromagnetic (AFM) interfaces have been studied only for C60 bonded to the outermost ferromagnetic layer [S. L. Kawahara et al., Nano Lett. 12, 4558 (2012) and D. Li et al., Phys. Rev. B 93, 085425 (2016)]. Here, via density functional theory calculations combined with evidence from the literature, we demonstrate that C60 adsorption can reconstruct the layered-AFM Cr(001) surface at elevated annealing temperatures so that C60 bonds to both the outermost and the subsurface Cr layers in opposite spin directions. Surface reconstruction drastically changes the adsorbed molecule spintronic properties: (1) the spin-split p-d hybridization involves multi-orbitals of C60 and top two layers of Cr with opposite spin-polarization, (2) the subsurface Cr atom dominates the C60 electronic properties, and (3) the reconstruction induces a large magnetic moment of 0.58 μB in C60 as a synergistic effect of the top two Cr layers. The induced magnetic moment in C60 can be explained by the magnetic direct-exchange mechanism, which can be generalized to other C60/magnetic metal systems. Understanding these complex hybridization behaviors is a crucial step for molecular spintronic applications.

  14. Chemical etching of copper foils for single-layer graphene growth by chemical vapor deposition

    Science.gov (United States)

    Yoshihara, Naoki; Noda, Masaru

    2017-10-01

    Chemical etching on copper surface is essential as a pre-treatment for single-layer graphene growth by chemical vapor deposition (CVD). Here, we investigated the effect of chemical etching treatment on copper foils for single-layer graphene CVD growth. The chemical etching conditions, such as the type of chemical etchants and the treatment time, were found to strongly influence the graphene domain size. Moreover, a drastic change in the layer structure of graphene sheets, which was attributed to the surface morphology of the etched copper foil, was confirmed by graphene transmittance and Raman mapping measurements.

  15. DNA translocation through single-layer boron nitride nanopores.

    Science.gov (United States)

    Gu, Zonglin; Zhang, Yuanzhao; Luan, Binquan; Zhou, Ruhong

    2016-01-21

    Ultra-thin nanopores have become promising biological sensors because of their outstanding signal-to-noise ratio and spatial resolution. Here, we show that boron nitride (BN), which is a new two-dimensional (2D) material similar to graphene, could be utilized for making a nanopore with an atomic thickness. Using an all-atom molecular dynamics simulation, we investigated the dynamics of DNA translocation through the BN nanopore. The results of our simulations demonstrated that it is possible to detect different double-stranded DNA (dsDNA) sequences from the recording of ionic currents through the pore during the DNA translocation. Surprisingly, opposite to results for a graphene nanopore, we found the calculated blockage current for poly(A-T)40 in a BN nanopore to be less than that for poly(G-C)40. Also in contrast with the case of graphene nanopores, dsDNA models moved smoothly and in an unimpeded manner through the BN nanopores in the simulations, suggesting a potential advantage for using BN nanopores to design stall-free sequencing devices. BN nanopores, which display several properties (such as being hydrophilic and non-metallic) that are superior to those of graphene, are thus expected to find applications in the next generation of high-speed and low-cost biological sensors.

  16. Manipulating localized molecular orbitals by single-atom contacts.

    Science.gov (United States)

    Wang, Weihua; Shi, Xingqiang; Lin, Chensheng; Zhang, Rui Qin; Minot, Christian; Van Hove, Michel A; Hong, Yuning; Tang, Ben Zhong; Lin, Nian

    2010-09-17

    We have fabricated atom-molecule contacts by attachment of single Cu atoms to terpyridine side groups of bis-terpyridine tetra-phenyl ethylene molecules on a Cu(111) surface. By means of scanning tunneling microscopy, spectroscopy, and density functional calculations, we have found that, due to the localization characteristics of molecular orbitals, the Cu-atom contact modifies the state localized at the terpyridine side group which is in contact with the Cu atom but does not affect the states localized at other parts of the molecule. These results illustrate the contact effects at individual orbitals and offer possibilities to manipulate orbital alignments within molecules.

  17. Penetration of a Small Caliber Projectile into Single and Multi-layered Targets

    Directory of Open Access Journals (Sweden)

    Riad A.M.

    2010-06-01

    Full Text Available The normal penetration of armor-piercing projectiles into single and multi-layered steel plates has been investigated. An experimental program has been conducted to study the effect of spaced and in-contact layered targets on their ballistic resistance. Armor piercing projectiles with caliber of 7.62 mm were fired against a series of single and multi-layered steel targets. The projectile impact velocities were ranged from 300-600 m/s, whereas the total thicknesses of the tested single, spaced and in-contact layered steel targets were 3 mm. The penetration process of different tested target configurations has been simulated using Autodayn-2D hydrocode. The experimental measurements of the present work were used to discuss the effect of impact velocity, target configurations and number of layers of different spaced and in-contact layered steel targets on their ballistic resistance. In addition, the post-firing examination of the tested targets over the used impact velocity range showed that the single and each layer of spaced and in-contact laminated steel targets were failed by petalling. Finally, the obtained experimental measurements were compared with the corresponding numerical results of Autodyn-2D hydrocode, good agreement was generally obtained.

  18. Penetration of a Small Caliber Projectile into Single and Multi-layered Targets

    Science.gov (United States)

    Abdel-Wahed, M. A.; Salem, A. M.; Zidan, A. S.; Riad, A. M.

    2010-06-01

    The normal penetration of armor-piercing projectiles into single and multi-layered steel plates has been investigated. An experimental program has been conducted to study the effect of spaced and in-contact layered targets on their ballistic resistance. Armor piercing projectiles with caliber of 7.62 mm were fired against a series of single and multi-layered steel targets. The projectile impact velocities were ranged from 300-600 m/s, whereas the total thicknesses of the tested single, spaced and in-contact layered steel targets were 3 mm. The penetration process of different tested target configurations has been simulated using Autodayn-2D hydrocode. The experimental measurements of the present work were used to discuss the effect of impact velocity, target configurations and number of layers of different spaced and in-contact layered steel targets on their ballistic resistance. In addition, the post-firing examination of the tested targets over the used impact velocity range showed that the single and each layer of spaced and in-contact laminated steel targets were failed by petalling. Finally, the obtained experimental measurements were compared with the corresponding numerical results of Autodyn-2D hydrocode, good agreement was generally obtained.

  19. Geometry optimization of zirconium sulfophenylphosphonate layers by molecular simulation methods

    Czech Academy of Sciences Publication Activity Database

    Škoda, J.; Pospíšil, M.; Kovář, P.; Melánová, Klára; Svoboda, J.; Beneš, L.; Zima, Vítězslav

    2018-01-01

    Roč. 24, č. 1 (2018), s. 1-12, č. článku 10. ISSN 1610-2940 R&D Projects: GA ČR(CZ) GA14-13368S; GA ČR(CZ) GA17-10639S Institutional support: RVO:61389013 Keywords : zirconium sulfophenylphosphonate * intercalation * molecular simulation Subject RIV: CA - Inorganic Chemistry OBOR OECD: Inorganic and nuclear chemistry Impact factor: 1.425, year: 2016

  20. Selective exfoliation of single-layer graphene from non-uniform graphene grown on Cu

    International Nuclear Information System (INIS)

    Lim, Jae-Young; Lee, Jae-Hyun; Jang, Hyeon-Sik; Whang, Dongmok; Joo, Won-Jae; Hwang, SungWoo

    2015-01-01

    Graphene growth on a copper surface via metal-catalyzed chemical vapor deposition has several advantages in terms of providing high-quality graphene with the potential for scale-up, but the product is usually inhomogeneous due to the inability to control the graphene layer growth. The non-uniform regions strongly affect the reliability of the graphene in practical electronic applications. Herein, we report a novel graphene transfer method that allows for the selective exfoliation of single-layer graphene from non-uniform graphene grown on a Cu foil. Differences in the interlayer bonding energy are exploited to mechanically separate only the top single-layer graphene and transfer this to an arbitrary substrate. The dry-transferred single-layer graphene showed electrical characteristics that were more uniform than those of graphene transferred using conventional wet-etching transfer steps. (paper)

  1. White-light-emitting diode based on a single-layer polymer

    Science.gov (United States)

    Wang, B. Z.; Zhang, X. P.; Liu, H. M.

    2013-05-01

    A broad-band light-emitting diode was achieved in a single-layer device based on pure poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4-phenylenediamine) (PFB). Electromer emission was observed in the red with a center wavelength of about 620 nm in electroluminescence (EL) spectrum. This kind of emission exhibits strong dependence on the thickness of the PFB layer, so that the shape of the EL spectrum may be adjusted through changing the thickness of the active polymer layer to balance between the intrinsic PFB emission in the blue and the electromer emission in the red. Thus, white light emission may be achieved from such a single-layer single-material diode.

  2. Modeling of 1-D nitrate transport in single layer soils | Dike | Journal ...

    African Journals Online (AJOL)

    The transport of nitrate in laboratory single soil columns of sand, laterite and clay were investigated after 21 days. The 1-D contaminant transport model by Notodarmojo et al (1991) for single layer soils were calibrated and verified using field data collected from a refuse dump site at avu, owerri, Imo state. The experimental ...

  3. Pressure estimation from single-snapshot tomographic PIV in a turbulent boundary layer

    NARCIS (Netherlands)

    Schneiders, J.F.G.; Pröbsting, S.; Dwight, R.P.; Van Oudheusden, B.W.; Scarano, F.

    2016-01-01

    A method is proposed to determine the instantaneous pressure field from a single tomographic PIV velocity snapshot and is applied to a flat-plate turbulent boundary layer. The main concept behind the single-snapshot pressure evaluation method is to approximate the flow acceleration using the

  4. The Mechanical Robustness of Atomic-Layer- and Molecular-Layer-Deposited Coatings on Polymer Substrates

    Science.gov (United States)

    2009-01-01

    represent the ceramic and poly- merlike spacer layers, respectively. The numerical analysis ABAQUS , Dassault Systèmes Inc. was conducted using an automated...routine PYTHON , Python Software Foundation. Analysis here was solely limited to the linear elastic regime for all materials considered. IV. RESULTS

  5. Scattering of atomic and molecular ions from single crystal surfaces of Cu, Ag and Fe

    International Nuclear Information System (INIS)

    Zoest, J.M. van.

    1986-01-01

    This thesis deals with analysis of crystal surfaces of Cu, Ag and Fe with Low Energy Ion scattering Spectroscopy (LEIS). Different atomic and molecular ions with fixed energies below 7 keV are scattered by a metal single crystal (with adsorbates). The energy and direction of the scattered particles are analysed for different selected charge states. In that way information can be obtained concerning the composition and atomic and electronic structure of the single crystal surface. Energy spectra contain information on the composition of the surface, while structural atomic information is obtained by direction measurements (photograms). In Ch.1 a description is given of the experimental equipment, in Ch.2 a characterization of the LEIS method. Ch.3 deals with the neutralization of keV-ions in surface scattering. Two different ways of data interpretation are presented. First a model is treated in which the observed directional dependence of neutralization action of the first atom layer of the surface is presented by a laterally varying thickness of the neutralizing layer. Secondly it is shown that the data can be reproduced by a more realistic, physical model based on atomic transition matrix elements. In Ch.4 the low energy hydrogen scattering is described. The study of the dissociation of H 2 + at an Ag surface r0230ted in a model based on electronic dissociation, initialized by electron capture into a repulsive (molecular) state. In Ch.5 finally the method is applied to the investigation of the surface structure of oxidized Fe. (Auth.)

  6. Molecularly designed layer-by-layer (LbL) films to detect catechol using information visualization methods.

    Science.gov (United States)

    Aoki, Pedro H B; Alessio, Priscila; Furini, Leonardo N; Constantino, Carlos J L; Neves, Tácito T A T; Paulovich, Fernando V; de Oliveira, Maria Cristina F; Oliveira, Osvaldo N

    2013-06-18

    The control of molecular architectures has been exploited in layer-by-layer (LbL) films deposited on Au interdigitated electrodes, thus forming an electronic tongue (e-tongue) system that reached an unprecedented high sensitivity (down to 10(-12) M) in detecting catechol. Such high sensitivity was made possible upon using units containing the enzyme tyrosinase, which interacted specifically with catechol, and by processing impedance spectroscopy data with information visualization methods. These latter methods, including the parallel coordinates technique, were also useful for identifying the major contributors to the high distinguishing ability toward catechol. Among several film architectures tested, the most efficient had a tyrosinase layer deposited atop LbL films of alternating layers of dioctadecyldimethylammonium bromide (DODAB) and 1,2-dipalmitoyl-sn-3-glycero-fosfo-rac-(1-glycerol) (DPPG), viz., (DODAB/DPPG)5/DODAB/Tyr. The latter represents a more suitable medium for immobilizing tyrosinase when compared to conventional polyelectrolytes. Furthermore, the distinction was more effective at low frequencies where double-layer effects on the film/liquid sample dominate the electrical response. Because the optimization of film architectures based on information visualization is completely generic, the approach presented here may be extended to designing architectures for other types of applications in addition to sensing and biosensing.

  7. Molecular absorption and photodesorption in pristine and functionalized large-area graphene layers

    International Nuclear Information System (INIS)

    Lin Jian; Zhong Jiebin; Ozkan, Cengiz S; Reiber Kyle, Jennifer; Penchev, Miroslav; Ozkan, Mihri

    2011-01-01

    We studied the photodesorption behavior of pristine and nitric acid (HNO 3 ) treated graphene layers fabricated by chemical vapor deposition (CVD). The decrease in electrical conductivity and a negative shift of the Dirac point in graphene layers illuminated with ultraviolet light are caused by molecular photodesorption, while the UV illumination does not degrade the carrier mobility of graphene layers. When graphene layers were treated with concentrated HNO 3 , the photodesorption-induced current decrease became less significant than for pristine graphene layers. We suggest this is due to the passivation of oxygen-bearing functionalities to CVD grown graphene structural defects by HNO 3 functionalization, which prevents the further absorption of gas molecules. Our results provide a new strategy for stabilizing the electrical performance of CVD grown large-area graphene layers for applications ranging from nanoelectronics to optoelectronics.

  8. Morphology and atomic-scale structure of single-layer WS2 nanoclusters.

    Science.gov (United States)

    Füchtbauer, Henrik G; Tuxen, Anders K; Moses, Poul G; Topsøe, Henrik; Besenbacher, Flemming; Lauritsen, Jeppe V

    2013-10-14

    Two-dimensional sheets of transition metal (Mo and W) sulfides are attracting strong attention due to the unique electronic and optical properties associated with the material in its single-layer form. The single-layer MoS2 and WS2 are already in widespread commercial use in catalytic applications as both hydrotreating and hydrocracking catalysts. Consequently, characterization of the morphology and atomic structure of such particles is of utmost importance for the understanding of the catalytic active phase. However, in comparison with the related MoS2 system only little is known about the fundamental properties of single-layer WS2 (tungstenite). Here, we use an interplay of atom-resolved Scanning Tunneling Microscopy (STM) studies of Au(111)-supported WS2 nanoparticles and calculated edge structures using Density Functional Theory (DFT) to reveal the equilibrium morphology and prevalent edge structures of single-layer WS2. The STM results reveal that the single layer S-W-S sheets adopt a triangular equilibrium shape under the sulfiding conditions of the synthesis, with fully sulfided edges. The predominant edge structures are determined to be the (101[combining macron]0) W-edge, but for the smallest nanoclusters also the (1[combining macron]010) S-edges become important. DFT calculations are used to construct phase diagrams of the WS2 edges, and describe their sulfur and hydrogen coordination under different conditions, and in this way shed light on the catalytic role of WS2 edges.

  9. Electronic structure, transport, and collective effects in molecular layered systems

    Directory of Open Access Journals (Sweden)

    Torsten Hahn

    2017-10-01

    Full Text Available The great potential of organic heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc and a flourinated copper phthalocyanine–manganese phthalocyanine (F16CoPc/MnPc heterostructure, are investigated by means of density functional theory (DFT and the non-equilibrium Green’s function (NEGF approach. Furthermore, a master-equation-based approach is used to include electronic correlations beyond the mean-field-type approximation of DFT. We describe the essential theoretical tools to obtain the parameters needed for the master equation from DFT results. Finally, an interacting molecular monolayer is considered within a master-equation approach.

  10. Atomic and molecular layer activation of dielectric surfaces

    Science.gov (United States)

    Senkevich, John Joseph

    Strong interaction between the material deposit and substrate is critical to stable deposits and interfaces. The work presented here focuses on the surface activation of dielectric surfaces and oxidized metal surfaces to promote the chemisorption of palladium (II) hexafluoroacetylacetonate (PdII (hfac)2). The goal is to develop reliable, robust metallization protocols, which enable strong interactions between the metal and substrate. SiO2, air exposed Ta, Trikon, and SiLK were activated with sulfur or phosphorus. Two types of activations were developed; one based on self-assembled chemistry, and the other a plasma-assisted process. Activation of the surface using self-assembly techniques was carried out using mercaptan-terminated silane and tetrasulfide silane. The resulting films were characterized by variable angle spectroscopic ellipsometry, contact angle goniometry, and X-ray photoelectron spectroscopy. Tetrasulfide silane sources films exhibit self-limiting behavior, even in the presence of water vapor; whereas mercaptan-terminated silane sourced films tend to be thicker. The surface activations using atomic layers of sulfur and phosphorus were carried out in a rf plasma chamber using hydrogen sulfide and phosphine sources, respectively. The activations were studied as functions of rf power, system pressure, and substrate material. Results show that higher rf powers and lower system pressures promote greater surface coverages by sulfur with a reduced oxidation state. The activated dielectrics show evidence of PdII(hfac)2 chemisorption, in contrast to non-activated surfaces. The binding energy shift of the Pd3d 5/2 XPS peak towards elemental Pd provides evidence for the dissociative chemisorption of PdII(hfac)2. The extent of dissociation depends on the substrate temperature and the activation method used. The conclusions of the work presented here have implications for metallization using highly polarizable transition metals. Specifically, it can be applied to

  11. Single molecular biology: coming of age in DNA replication.

    Science.gov (United States)

    Liu, Xiao-Jing; Lou, Hui-Qiang

    2017-09-20

    DNA replication is an essential process of the living organisms. To achieve precise and reliable replication, DNA polymerases play a central role in DNA synthesis. Previous investigations have shown that the average rates of DNA synthesis on the leading and lagging strands in a replisome must be similar to avoid the formation of significant gaps in the nascent strands. The underlying mechanism has been assumed to be coordination between leading- and lagging-strand polymerases. However, Kowalczykowski's lab members recently performed single molecule techniques in E. coli and showed the real-time behavior of a replisome. The leading- and lagging-strand polymerases function stochastically and independently. Furthermore, when a DNA polymerase is paused, the helicase slows down in a self-regulating fail-safe mechanism, akin to a ''dead-man's switch''. Based on the real-time single-molecular observation, the authors propose that leading- and lagging-strand polymerases synthesize DNA stochastically within a Gaussian distribution. Along with the development and application of single-molecule techniques, we will witness a new age of DNA replication and other biological researches.

  12. Single layers and multilayers of GaN and AlN in square-octagon structure: Stability, electronic properties, and functionalization

    Science.gov (United States)

    Gürbüz, E.; Cahangirov, S.; Durgun, E.; Ciraci, S.

    2017-11-01

    Further to planar single-layer hexagonal structures, GaN and AlN can also form free-standing, single-layer structures constructed from squares and octagons. We performed an extensive analysis of dynamical and thermal stability of these structures in terms of ab initio finite-temperature molecular dynamics and phonon calculations together with the analysis of Raman and infrared active modes. These single-layer square-octagon structures of GaN and AlN display directional mechanical properties and have wide, indirect fundamental band gaps, which are smaller than their hexagonal counterparts. These density functional theory band gaps, however, increase and become wider upon correction. Under uniaxial and biaxial tensile strain, the fundamental band gaps decrease and can be closed. The electronic and magnetic properties of these single-layer structures can be modified by adsorption of various adatoms, or by creating neutral cation-anion vacancies. The single-layer structures attain magnetic moment by selected adatoms and neutral vacancies. In particular, localized gap states are strongly dependent on the type of vacancy. The energetics, binding, and resulting electronic structure of bilayer, trilayer, and three-dimensional (3D) layered structures constructed by stacking the single layers are affected by vertical chemical bonds between adjacent layers. In addition to van der Waals interaction, these weak vertical bonds induce buckling in planar geometry and enhance their binding, leading to the formation of stable 3D layered structures. In this respect, these multilayers are intermediate between van der Waals solids and wurtzite crystals, offering a wide range of tunability.

  13. On the approximation by single hidden layer feedforward neural networks with fixed weights

    OpenAIRE

    Guliyev, Namig J.; Ismailov, Vugar E.

    2017-01-01

    International audience; Feedforward neural networks have wide applicability in various disciplines of science due to their universal approximation property. Some authors have shown that single hidden layer feedforward neural networks (SLFNs) with fixed weights still possess the universal approximation property provided that approximated functions are univariate. But this phenomenon does not lay any restrictions on the number of neurons in the hidden layer. The more this number, the more the p...

  14. Tuning Electronic Structure of Single Layer MoS2through Defect and Interface Engineering.

    Science.gov (United States)

    Chen, Yan; Huang, Shengxi; Ji, Xiang; Adepalli, Kiran; Yin, Kedi; Ling, Xi; Wang, Xinwei; Xue, Jianmin; Dresselhaus, Mildred; Kong, Jing; Yildiz, Bilge

    2018-03-27

    Transition-metal dichalcogenides (TMDs) have emerged in recent years as a special group of two-dimensional materials and have attracted tremendous attention. Among these TMD materials, molybdenum disulfide (MoS 2 ) has shown promising applications in electronics, photonics, energy, and electrochemistry. In particular, the defects in MoS 2 play an essential role in altering the electronic, magnetic, optical, and catalytic properties of MoS 2 , presenting a useful way to engineer the performance of MoS 2 . The mechanisms by which lattice defects affect the MoS 2 properties are unsettled. In this work, we reveal systematically how lattice defects and substrate interface affect MoS 2 electronic structure. We fabricated single-layer MoS 2 by chemical vapor deposition and then transferred onto Au, single-layer graphene, hexagonal boron nitride, and CeO 2 as substrates and created defects in MoS 2 by ion irradiation. We assessed how these defects and substrates affect the electronic structure of MoS 2 by performing X-ray photoelectron spectroscopy, Raman and photoluminescence spectroscopies, and scanning tunneling microscopy/spectroscopy measurements. Molecular dynamics and first-principles based simulations allowed us to conclude the predominant lattice defects upon ion irradiation and associate those with the experimentally obtained electronic structure. We found that the substrates can tune the electronic energy levels in MoS 2 due to charge transfer at the interface. Furthermore, the reduction state of CeO 2 as an oxide substrate affects the interface charge transfer with MoS 2 . The irradiated MoS 2 had a faster hydrogen evolution kinetics compared to the as-prepared MoS 2 , demonstrating the concept of defect controlled reactivity in this phase. Our findings provide effective probes for energy band and defects in MoS 2 and show the importance of defect engineering in tuning the functionalities of MoS 2 and other TMDs in electronics, optoelectronics, and

  15. Exposure buildup factors for a cobalt-60 point isotropic source for single and two layer slabs

    International Nuclear Information System (INIS)

    Chakarova, R.

    1992-01-01

    Exposure buildup factors for point isotropic cobalt-60 sources are calculated by the Monte Carlo method with statistical errors ranging from 1.5 to 7% for 1-5 mean free paths (mfp) thick water and iron single slabs and for 1 and 2 mfp iron layers followed by water layers 1-5 mfp thick. The computations take into account Compton scattering. The Monte Carlo data for single slab geometries are approximated by Geometric Progression formula. Kalos's formula using the calculated single slab buildup factors may be applied to reproduce the data for two-layered slabs. The presented results and discussion may help when choosing the manner in which the radiation field gamma irradiation units will be described. (author)

  16. Spin models for the single molecular magnet Mn12-AC

    Science.gov (United States)

    Al-Saqer, Mohamad A.

    2005-11-01

    The single molecular magnet (SMM) Mn12-AC attracted the attention of scientists since the discovery of its magnetic hystereses which are accompanied by sudden jumps in magnetic moments at low temperature. Unlike conventional bulk magnets, hysteresis in SMMs is of molecular origin. This qualifies them as candidates for next generation of high density storage media where a molecule which is at most few nanometers in size can be used to store a bit of information. However, the jumps in these hystereses, due to spin tunneling, can lead to undesired loss of information. Mn12-AC molecule contains twelve magnetic ions antiferromagnetically coupled by exchanges leading to S = 10 ground state manifold. The magnetic ions are surrounded by ligands which isolate them magnetically from neighboring molecules. The lowest state of S = 9 manifold is believed to lie at about 40 K above the ground state. Therefore, at low temperatures, the molecule is considered as a single uncoupled moment of spin S = 10. Such model has been used widely to understand phenomena exhibited by the molecule at low temperatures including the tunneling of its spin, while a little attention has been paid for the multi-spin nature of the molecule. Using the 8-spin model, we demonstrate that in order to understand the phenomena of tunneling, a full spin description of the molecule is required. We utilized a calculation scheme where a fraction of energy levels are used in the calculations and the influence of levels having higher energy is neglected. From the dependence of tunnel splittings on the number of states include, we conclude that models based on restricting the number of energy levels (single-spin and 8-spin models) lead to unreliable results of tunnel splitting calculations. To attack the full 12-spin model, we employed the Davidson algorithm to calculated lowest energy levels produced by exchange interactions and single ion anisotropies. The model reproduces the anisotropy properties at low

  17. Synthesis of few layer single crystal graphene grains on platinum by chemical vapour deposition

    Directory of Open Access Journals (Sweden)

    S. Karamat

    2015-08-01

    Full Text Available The present competition of graphene electronics demands an efficient route which produces high quality and large area graphene. Chemical vapour deposition technique, where hydrocarbons dissociate in to active carbon species and form graphene layer on the desired metal catalyst via nucleation is considered as the most suitable method. In this study, single layer graphene with the presence of few layer single crystal graphene grains were grown on Pt foil via chemical vapour deposition. The higher growth temperature changes the surface morphology of the Pt foil so a delicate process of hydrogen bubbling was used to peel off graphene from Pt foil samples with the mechanical support of photoresist and further transferred to SiO2/Si substrates for analysis. Optical microscopy of the graphene transferred samples showed the regions of single layer along with different oriented graphene domains. Two type of interlayer stacking sequences, Bernal and twisted, were observed in the graphene grains. The presence of different stacking sequences in the graphene layers influence the electronic and optical properties; in Bernal stacking the band gap can be tunable and in twisted stacking the overall sheet resistance can be reduced. Grain boundaries of Pt provides low energy sites to the carbon species, therefore the nucleation of grains are more at the boundaries. The stacking order and the number of layers in grains were seen more clearly with scanning electron microscopy. Raman spectroscopy showed high quality graphene samples due to very small D peak. 2D Raman peak for single layer graphene showed full width half maximum (FWHM value of 30 cm−1. At points A, B and C, Bernal stacked grain showed FWHM values of 51.22, 58.45 and 64.72 cm−1, while twisted stacked grain showed the FWHM values of 27.26, 28.83 and 20.99 cm−1, respectively. FWHM values of 2D peak of Bernal stacked grain showed an increase of 20–30 cm−1 as compare to single layer graphene

  18. Nonlinear and Nonsymmetric Single-Molecule Electronic Properties Towards Molecular Information Processing.

    Science.gov (United States)

    Tamaki, Takashi; Ogawa, Takuji

    2017-09-05

    This review highlights molecular design for nonlinear and nonsymmetric single-molecule electronic properties such as rectification, negative differential resistance, and switching, which are important components of future single-molecule information processing devices. Perspectives on integrated "molecular circuits" are also provided. Nonlinear and nonsymmetric single-molecule electronics can be designed by utilizing (1) asymmetric molecular cores, (2) asymmetric anchoring groups, (3) an asymmetric junction environment, and (4) asymmetric electrode materials. This review mainly focuses on the design of molecular cores.

  19. Thermal vibration of a rectangular single-layered graphene sheet with quantum effects

    International Nuclear Information System (INIS)

    Wang, Lifeng; Hu, Haiyan

    2014-01-01

    The thermal vibration of a rectangular single-layered graphene sheet is investigated by using a rectangular nonlocal elastic plate model with quantum effects taken into account when the law of energy equipartition is unreliable. The relation between the temperature and the Root of Mean Squared (RMS) amplitude of vibration at any point of the rectangular single-layered graphene sheet in simply supported case is derived first from the rectangular nonlocal elastic plate model with the strain gradient of the second order taken into consideration so as to characterize the effect of microstructure of the graphene sheet. Then, the RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet simply supported on an elastic foundation is derived. The study shows that the RMS amplitude of the rectangular single-layered graphene sheet predicted from the quantum theory is lower than that predicted from the law of energy equipartition. The maximal relative difference of RMS amplitude of thermal vibration appears at the sheet corners. The microstructure of the graphene sheet has a little effect on the thermal vibrations of lower modes, but exhibits an obvious effect on the thermal vibrations of higher modes. The quantum effect is more important for the thermal vibration of higher modes in the case of smaller sides and lower temperature. The relative difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet decreases monotonically with an increase of temperature. The absolute difference of maximal RMS amplitude of thermal vibration of a rectangular single-layered graphene sheet increases slowly with the rising of Winkler foundation modulus.

  20. Growth of high-crystalline, single-layer hexagonal boron nitride on recyclable platinum foil.

    Science.gov (United States)

    Kim, Gwangwoo; Jang, A-Rang; Jeong, Hu Young; Lee, Zonghoon; Kang, Dae Joon; Shin, Hyeon Suk

    2013-04-10

    Hexagonal boron nitride (h-BN) is gaining significant attention as a two-dimensional dielectric material, along with graphene and other such materials. Herein, we demonstrate the growth of highly crystalline, single-layer h-BN on Pt foil through a low-pressure chemical vapor deposition method that allowed h-BN to be grown over a wide area (8 × 25 mm(2)). An electrochemical bubbling-based method was used to transfer the grown h-BN layer from the Pt foil onto an arbitrary substrate. This allowed the Pt foil, which was not consumed during the process, to be recycled repeatedly. The UV-visible absorption spectrum of the single-layer h-BN suggested an optical band gap of 6.06 eV, while a high-resolution transmission electron microscopy image of the same showed the presence of distinct hexagonal arrays of B and N atoms, which were indicative of the highly crystalline nature and single-atom thickness of the h-BN layer. This method of growing single-layer h-BN over large areas was also compatible with use of a sapphire substrate.

  1. An automated spin-assisted approach for molecular layer-by-layer assembly of crosslinked polymer thin films.

    Science.gov (United States)

    Chan, Edwin P; Lee, Jung-Hyun; Chung, Jun Young; Stafford, Christopher M

    2012-11-01

    We present the design of an automated spin-coater that facilitates fabrication of polymer films based on molecular layer-by-layer (mLbL) assembly. Specifically, we demonstrate the synthesis of ultrathin crosslinked fully-aromatic polyamide (PA) films that are chemically identical to polymer membranes used in water desalination applications as measured by X-ray photoelectron spectroscopy. X-ray reflectivity measurements indicate that the automated mLbL assembly creates films with a constant film growth rate and minimal roughness compared with the traditional interfacial polymerization of PA. This automated spin-coater improves the scalability and sample-to-sample consistency by reducing human involvement in the mLbL assembly.

  2. An automated spin-assisted approach for molecular layer-by-layer assembly of crosslinked polymer thin films

    Energy Technology Data Exchange (ETDEWEB)

    Chan, Edwin P.; Chung, Jun Young; Stafford, Christopher M. [Polymers Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States); Lee, Jung-Hyun [Center for Materials Architecturing, Korea Institute of Science and Technology, Seoul (Korea, Republic of)

    2012-11-15

    We present the design of an automated spin-coater that facilitates fabrication of polymer films based on molecular layer-by-layer (mLbL) assembly. Specifically, we demonstrate the synthesis of ultrathin crosslinked fully-aromatic polyamide (PA) films that are chemically identical to polymer membranes used in water desalination applications as measured by X-ray photoelectron spectroscopy. X-ray reflectivity measurements indicate that the automated mLbL assembly creates films with a constant film growth rate and minimal roughness compared with the traditional interfacial polymerization of PA. This automated spin-coater improves the scalability and sample-to-sample consistency by reducing human involvement in the mLbL assembly.

  3. Molecular Etiology of Hereditary Single-Side Deafness

    Science.gov (United States)

    Kim, Shin Hye; Kim, Ah Reum; Choi, Hyun Seok; Kim, Min Young; Chun, Eun Hi; Oh, Seung-Ha; Choi, Byung Yoon

    2015-01-01

    Abstract Unilateral sensorineural hearing loss (USNHL)/single-side deafness (SSD) is a frequently encountered disability in children. The etiology of a substantial portion of USNHL/SSD still remains unknown, and genetic causes have not been clearly elucidated. In this study, the authors evaluated the heritability of USNHL/SSD. The authors sequentially recruited 50 unrelated children with SSD. For an etiologic diagnosis, we performed a rigorous review on the phenotypes of family members of all children and conducted, if necessary, molecular genetic tests including targeted exome sequencing of 129 deafness genes. Among the 50 SSD children cohort, the authors identify 4 (8%) unrelated SSD probands from 4 families (SH136, SB173, SB177, and SB199) with another hearing impaired family members. Notably, all 4 probands in our cohort with a familial history of SSD also have pigmentary abnormalities such as brown freckles or premature gray hair within first degree relatives, which may indicate that genes whose products are involved with pigmentary disorder could be candidates for heritable SSD. Indeed, SH136 and SB199 turned out to segregate a mutation in MITF and PAX3, respectively, leading to a molecular diagnosis of Waardenburg syndrome (WS). We report, for the first time in the literature, a significant heritability of pediatric SSD. There is a strong association between the heritability of USNHL/SSD and the pigmentary abnormality, shedding a new light on the understanding of the molecular basis of heritable USNHL/SSD. In case of children with congenital SSD, it would be mandatory to rigorously screen pigmentary abnormalities. WS should also be included in the differential diagnosis of children with USNHL/SSD, especially in a familial form. PMID:26512583

  4. Atomically precise graphene nanoribbon heterojunctions from a single molecular precursor

    Science.gov (United States)

    Nguyen, Giang D.; Tsai, Hsin-Zon; Omrani, Arash A.; Marangoni, Tomas; Wu, Meng; Rizzo, Daniel J.; Rodgers, Griffin F.; Cloke, Ryan R.; Durr, Rebecca A.; Sakai, Yuki; Liou, Franklin; Aikawa, Andrew S.; Chelikowsky, James R.; Louie, Steven G.; Fischer, Felix R.; Crommie, Michael F.

    2017-11-01

    The rational bottom-up synthesis of atomically defined graphene nanoribbon (GNR) heterojunctions represents an enabling technology for the design of nanoscale electronic devices. Synthetic strategies used thus far have relied on the random copolymerization of two electronically distinct molecular precursors to yield GNR heterojunctions. Here we report the fabrication and electronic characterization of atomically precise GNR heterojunctions prepared through late-stage functionalization of chevron GNRs obtained from a single precursor. Post-growth excitation of fully cyclized GNRs induces cleavage of sacrificial carbonyl groups, resulting in atomically well-defined heterojunctions within a single GNR. The GNR heterojunction structure was characterized using bond-resolved scanning tunnelling microscopy, which enables chemical bond imaging at T = 4.5 K. Scanning tunnelling spectroscopy reveals that band alignment across the heterojunction interface yields a type II heterojunction, in agreement with first-principles calculations. GNR heterojunction band realignment proceeds over a distance less than 1 nm, leading to extremely large effective fields.

  5. Double-layer versus single-layer bone-patellar tendon-bone anterior cruciate ligament reconstruction: a prospective randomized study with 3-year follow-up.

    Science.gov (United States)

    Mei, Xiaoliang; Zhang, Zhenxiang; Yang, Jingwen

    2016-12-01

    To evaluate the clinical results of a randomized controlled trial of single-layer versus double-layer bone-patellar tendon-bone (BPTB) anterior cruciate ligament (ACL) reconstruction. Fifty-eight subjects who underwent primary ACL reconstruction with a BPTB allograft were prospectively randomized into two groups: single-layer reconstruction (n = 31) and double-layer reconstruction (n = 27). The following evaluation methods were used: clinical examination, KT-1000 arthrometer measurement, muscle strength, Tegner activity score, Lysholm score, subjective rating scale regarding patient satisfaction and sports performance level, graft retear, contralateral ACL tear, and additional meniscus surgery. Forty-eight subjects (24 in single-layer group and 24 in double-layer group) who were followed up for 3 years were evaluated. Preoperatively, there were no differences between the groups. At 3-year follow-up, the Lachman and pivot-shift test results were better in the double-layer group (P = 0.019 and P reconstruction, double-layer BPTB reconstruction was significantly better than single-layer reconstruction regarding anterior and rotational stability at 3-year follow-up. The results of KT measurements and the Lachman and pivot-shift tests were significantly better in the double-layer group, whereas there was no difference in the anterior drawer test results. The Tegner score was also better in the double-layer group; however, there were no differences in the other subjective findings.

  6. The thinnest molecular separation sheet by graphene gates of single-walled carbon nanohorns.

    Science.gov (United States)

    Ohba, Tomonori

    2014-11-25

    Graphene is possibly the thinnest membrane that could be used as a molecular separation gate. Several techniques including absorption, cryogenic distillation, adsorption, and membrane separation have been adopted for constructing separation systems. Molecular separation using graphene as the membrane has been studied because large area synthesis of graphene is possible by chemical vapor deposition. Control of the gate sizes is necessary to achieve high separation performances in graphene membranes. The separation of molecules and ions using graphene and graphene oxide layers could be achieved by the intrinsic defects and defect donation of graphene. However, the controllability of the graphene gates is still under debate because gate size control at the picometer level is inevitable for the fabrication of the thinnest graphene membranes. In this paper, the controlled gate size in the graphene sheets in single-walled carbon nanohorns (NHs) is studied and the molecular separation ability of the graphene sheets is assessed by molecular probing with CO2, O2, N2, CH4, and SF6. Graphene sheets in NHs with different sized gates of 310, 370, and >500 pm were prepared and assessed by molecular probing. The 310 pm-gates in the graphene sheets could separate the molecules tested, whereas weak separation properties were observed for 370 pm-gates. The amount of CO2 that penetrated the 310 pm-gates was more than 35 times larger than that of CH4. These results were supported by molecular dynamics simulations of the penetration of molecules through 300, 400, and 700 pm-gates in graphene sheets. Therefore, a gas separation membrane using a 340-pm-thick graphene sheet has high potential. These findings provide unambiguous evidence of the importance of graphene gates on the picometer level. Control of the gates is the primary challenge for high-performance separation membranes made of graphene.

  7. Layer-by-Layer Molecular Assemblies for Dye-Sensitized Photoelectrosynthesis Cells Prepared by Atomic Layer Deposition

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Degao [Department; Sheridan, Matthew V. [Department; Shan, Bing [Department; Farnum, Byron H. [Department; Marquard, Seth L. [Department; Sherman, Benjamin D. [Department; Eberhart, Michael S. [Department; Nayak, Animesh [Department; Dares, Christopher J. [Department; Das, Atanu K. [Center; Bullock, R. Morris [Center; Meyer, Thomas J. [Department

    2017-08-30

    In a Dye Sensitized Photoelectrosynthesis Cell (DSPEC) the relative orientation of catalyst and chromophore play important roles. Here we introduce a new, robust, Atomic Layer Deposition (ALD) procedure for the preparation of assemblies on wide bandgap semiconductors. In the procedure, phosphonated metal complex precursors react with metal ion bridging to an external chromophore or catalyst to give assemblies bridged by Al(III), Sn(IV), Ti(IV), or Zr(IV) metal oxide units as bridges. The procedure has been extended to chromophore-catalyst assemblies for water oxidation catalysis. A SnO2 bridged assembly on SnO2/TiO2 core/shell electrodes undergoes water splitting with an incident photon conversion efficiency (IPCE) of 17.1% at 440 nm. Reduction of water at a Ni(II)-based catalyst on NiO films has been shown to give H2. Compared to conventional solution-based procedures, the ALD approach offers significant advantages in scope and flexibility for the preparation of stable surface structures.

  8. Mg-Al layered double hydroxide intercalated with porphyrin anions: molecular simulations and experiments

    Czech Academy of Sciences Publication Activity Database

    Kovář, P.; Pospíšil, M.; Káfuňková, Eva; Lang, Kamil; Kovanda, F.

    2010-01-01

    Roč. 16, č. 2 (2010), s. 223-233 ISSN 1610-2940 R&D Projects: GA ČR(CZ) GA203/06/1244; GA AV ČR KAN100500651 Institutional research plan: CEZ:AV0Z40320502 Keywords : layered double hydroxide * porphyrin * molecular simulations Subject RIV: CA - Inorganic Chemistry Impact factor: 1.871, year: 2010

  9. Facile Doping and Work-Function Modification of Few-Layer Graphene Using Molecular Oxidants and Reductants

    KAUST Repository

    Mansour, Ahmed

    2017-01-03

    Doping of graphene is a viable route toward enhancing its electrical conductivity and modulating its work function for a wide range of technological applications. In this work, the authors demonstrate facile, solution-based, noncovalent surface doping of few-layer graphene (FLG) using a series of molecular metal-organic and organic species of varying n- and p-type doping strengths. In doing so, the authors tune the electronic, optical, and transport properties of FLG. The authors modulate the work function of graphene over a range of 2.4 eV (from 2.9 to 5.3 eV)-unprecedented for solution-based doping-via surface electron transfer. A substantial improvement of the conductivity of FLG is attributed to increasing carrier density, slightly offset by a minor reduction of mobility via Coulomb scattering. The mobility of single layer graphene has been reported to decrease significantly more via similar surface doping than FLG, which has the ability to screen buried layers. The dopant dosage influences the properties of FLG and reveals an optimal window of dopant coverage for the best transport properties, wherein dopant molecules aggregate into small and isolated clusters on the surface of FLG. This study shows how soluble molecular dopants can easily and effectively tune the work function and improve the optoelectronic properties of graphene.

  10. Seamless lamination of a concave-convex architecture with single-layer graphene

    Science.gov (United States)

    Park, Ji-Hoon; Lim, Taekyung; Baik, Jaeyoon; Seo, Keumyoung; Moon, Youngkwon; Park, Noejung; Shin, Hyun-Joon; Kyu Kwak, Sang; Ju, Sanghyun; Real Ahn, Joung

    2015-10-01

    Graphene has been used as an electrode and channel material in electronic devices because of its superior physical properties. Recently, electronic devices have changed from a planar to a complicated three-dimensional (3D) geometry to overcome the limitations of planar devices. The evolution of electronic devices requires that graphene be adaptable to a 3D substrate. Here, we demonstrate that chemical-vapor-deposited single-layer graphene can be transferred onto a silicon dioxide substrate with a 3D geometry, such as a concave-convex architecture. A variety of silicon dioxide concave-convex architectures were uniformly and seamlessly laminated with graphene using a thermal treatment. The planar graphene was stretched to cover the concave-convex architecture, and the resulting strain on the curved graphene was spatially resolved by confocal Raman spectroscopy; molecular dynamic simulations were also conducted and supported the observations. Changes in electrical resistivity caused by the spatially varying strain induced as the graphene-silicon dioxide laminate varies dimensionally from 2D to 3D were measured by using a four-point probe. The resistivity measurements suggest that the electrical resistivity can be systematically controlled by the 3D geometry of the graphene-silicon dioxide laminate. This 3D graphene-insulator laminate will broaden the range of graphene applications beyond planar structures to 3D materials.Graphene has been used as an electrode and channel material in electronic devices because of its superior physical properties. Recently, electronic devices have changed from a planar to a complicated three-dimensional (3D) geometry to overcome the limitations of planar devices. The evolution of electronic devices requires that graphene be adaptable to a 3D substrate. Here, we demonstrate that chemical-vapor-deposited single-layer graphene can be transferred onto a silicon dioxide substrate with a 3D geometry, such as a concave-convex architecture. A

  11. Composite Beam Cross-Section Analysis by a Single High-Order Element Layer

    DEFF Research Database (Denmark)

    Couturier, Philippe; Krenk, Steen

    2015-01-01

    An analysis procedure of general cross-section properties is presented. The formulation is based on the stress-strain states in the classic six equilibrium modes of a beam by considering a finite thickness slice modelled by a single layer of 3D finite elements. The theory is illustrated by applic...

  12. Electronic spin transport and spin precession in single graphene layers at room temperature

    NARCIS (Netherlands)

    Tombros, Nikolaos; Jozsa, Csaba; Popinciuc, Mihaita; Jonkman, Harry T.; van Wees, Bart J.

    2007-01-01

    Electronic transport in single or a few layers of graphene is the subject of intense interest at present. The specific band structure of graphene, with its unique valley structure and Dirac neutrality point separating hole states from electron states, has led to the observation of new electronic

  13. Quantum Hall states of atomic Bose gases: Density profiles in single-layer and multilayer geometries

    International Nuclear Information System (INIS)

    Cooper, N. R.; Lankvelt, F. J. M. van; Reijnders, J. W.; Schoutens, K.

    2005-01-01

    We describe the density profiles of confined atomic Bose gases in the high-rotation limit, in single-layer and multilayer geometries. We show that, in a local-density approximation, the density in a single layer shows a landscape of quantized steps due to the formation of incompressible liquids, which are analogous to fractional quantum Hall liquids for a two-dimensional electron gas in a strong magnetic field. In a multilayered setup we find different phases, depending on the strength of the interlayer tunneling t. We discuss the situation where a vortex lattice in the three-dimensional condensate (at large tunneling) undergoes quantum melting at a critical tunneling t c 1 . For tunneling well below t c 1 one expects weakly coupled or isolated layers, each exhibiting a landscape of quantum Hall liquids. After expansion, this gives a radial density distribution with characteristic features (cusps) that provide experimental signatures of the quantum Hall liquids

  14. Improvement of GaN epilayer by gradient layer method with molecular-beam epitaxy

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Yen-Liang [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Lo, Ikai, E-mail: ikailo@mail.phys.nsysu.edu.tw [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Gau, Ming-Hong; Hsieh, Chia-Ho; Sham, Meng-Wei; Pang, Wen-Yuan; Hsu, Yu-Chi [Department of Physics, Institute of Material Science and Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-Sen University, Kaohsiung 80424, Taiwan, ROC (China); Tsai, Jenn-Kai [Department of Electronics Engineering, National Formosa University, Hu-Wei, Yun-Lin County 63208, Taiwan, ROC (China); Schuber, Ralf; Schaadt, Daniel [Institute of Applied Physics/DFG-Center for Functional Nanostructures (CFN), Karlsruhe Institute of Technology (KIT), Karlsruhe (Germany)

    2012-07-31

    We demonstrated a molecular beam epitaxy method to resolve the dilemma between structural and morphological quality in growth of the GaN epilayer. A gradient buffer layer was grown in such a way that the N/Ga ratio was gradually changed from nitrogen-rich to gallium-rich. The GaN epitaxial layer was then grown on the gradient buffer layer. In the X-ray diffraction analysis of GaN(002) rocking curves, we found that the full width at half-maximum was improved from 531.69 Double-Prime to 59.43 Double-Prime for the sample with a gradient buffer layer as compared to a purely gallium-rich grown sample. Atomic force microscopy analysis showed that the root-mean-square roughness of the surface was improved from 18.28 nm to 1.62 nm over an area of 5 Multiplication-Sign 5 {mu}m{sup 2} with respect to a purely nitrogen-rich grown sample. Raman scattering showed the presence of a slightly tilted plane in the gradient layer. Furthermore we showed that the gradient layer can also slash the strain force caused by either Ga-rich GaN epitaxial layer or AlN buffer layer. - Highlights: Black-Right-Pointing-Pointer The samples were grown by plasma-assisted molecular beam epitaxy. Black-Right-Pointing-Pointer The GaN epilayer was grown on sapphire substrate. Black-Right-Pointing-Pointer The samples were characterized by X-ray diffraction and atomic force microscopy. Black-Right-Pointing-Pointer The sample quality was improved by gradient buffer layer.

  15. Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

    Science.gov (United States)

    Specht, Judith F.; Verdenhalven, Eike; Bieniek, Björn; Rinke, Patrick; Knorr, Andreas; Richter, Marten

    2018-04-01

    The geometry-dependent energy transfer rate from an electrically pumped inorganic semiconductor quantum well into an organic molecular layer is studied theoretically. We focus on Förster-type nonradiative excitation transfer between the organic and inorganic layers and include quasimomentum conservation and intermolecular coupling between the molecules in the organic film. (Transition) partial charges calculated from density-functional theory are used to calculate the coupling elements. The partial charges describe the spatial charge distribution and go beyond the common dipole-dipole interaction. We find that the transfer rates are highly sensitive to variations in the geometry of the hybrid inorganic-organic system. For instance, the transfer efficiency is improved by up to 2 orders of magnitude by tuning the spatial arrangement of the molecules on the surface: Parameters of importance are the molecular packing density along the effective molecular dipole axis and the distance between the molecules and the surface. We also observe that the device performance strongly depends on the orientation of the molecular dipole moments relative to the substrate dipole moments determined by the inorganic crystal structure. Moreover, the operating regime is identified where inscattering dominates over unwanted backscattering from the molecular layer into the substrate.

  16. The Comparison of Engineering Properties Between Single and Double Layer Porous Asphalt made of Packing Gradation

    Directory of Open Access Journals (Sweden)

    Hardiman M. Y

    2008-01-01

    Full Text Available is paper presents the comparison of engineering properties between single and double layer porous asphalt (SLPA and DLPA made of packing gradation. Three nominal maximum aggregate sizes (NMAS were tested each made up of 10, 14, and 20 mm for SLPA. While for the DLPA with 30, 20, and 15 mm top layer are made of 10 and 14 mm NMAS, with a base layer of 20 mm NMAS. Total thickness of all mixes is 70 mm. Binders used are 60/70 penetration base bitumen and polymer binder styrene-butadiene-styrene (SBS. The result shows that the properties of SLPA mix namely permeability and resistance to abrasion loss decreases when the NMAS in SLPA decreases. The abrasion loss of DLPA mixes increases when the porous asphalt top layer thickness decreases, while drainage time value decreases. However, SLPA with 20 mm NMAS exhibits higher abrasion loss compared to all DLPA mixes.

  17. Direct monolithic integration of vertical single crystalline octahedral molecular sieve nanowires on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Carretero-Genevrier, Adrian [Institut des Nanotechnologies de Lyon (INL), UMR-CNRS 5270, Ecole Central de Lyon, Ecully (France); Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Oro-Sole, Judith [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Gazquez, Jaume [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Magen, Cesar [Univ. de Zaragoza, Zaragoza (Spain); Miranda, Laura [Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Puig, Teresa [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Obradors, Xavier [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain); Ferain, Etienne [Univ. Catholique de Louvain, Louvain-la-Neuve (Belgium); Sanchez, Clement [Sorbonne Univ., UPMC Univ. Paris 06, CNRS, College de France, Paris (France); Rodriguez-Carvajal, Juan [Institut Laue-Langevin, Grenoble Cedex (France); Mestres, Narcis [Institut de Ciencia de Materials de Barcelona ICMAB, Catalonia (Spain)

    2013-12-13

    We developed an original strategy to produce vertical epitaxial single crystalline manganese oxide octahedral molecular sieve (OMS) nanowires with tunable pore sizes and compositions on silicon substrates by using a chemical solution deposition approach. The nanowire growth mechanism involves the use of track-etched nanoporous polymer templates combined with the controlled growth of quartz thin films at the silicon surface, which allowed OMS nanowires to stabilize and crystallize. α-quartz thin films were obtained after thermal activated crystallization of the native amorphous silica surface layer assisted by Sr2+- or Ba2+-mediated heterogeneous catalysis in the air at 800 °C. These α-quartz thin films work as a selective template for the epitaxial growth of randomly oriented vertical OMS nanowires. Furthermore, the combination of soft chemistry and epitaxial growth opens new opportunities for the effective integration of novel technological functional tunneled complex oxides nanomaterials on Si substrates.

  18. Polymorphic transitions in single crystals: A new molecular dynamics method

    Energy Technology Data Exchange (ETDEWEB)

    Parrinello, M.; Rahman, A.

    1981-12-01

    A new Lagrangian formulation is introduced. It can be used to make molecular dynamics (MD) calculations on systems under the most general, externally applied, conditions of stress. In this formulation the MD cell shape and size can change according to dynamical equations given by this Lagrangian. This new MD technique is well suited to the study of structural transformations in solids under external stress and at finite temperature. As an example of the use of this technique we show how a single crystal of Ni behaves under uniform uniaxial compressive and tensile loads. This work confirms some of the results of static (i.e., zero temperature) calculations reported in the literature. We also show that some results regarding the stress-strain relation obtained by static calculations are invalid at finite temperature. We find that, under compressive loading, our model of Ni shows a bifurcation in its stress-strain relation; this bifurcation provides a link in configuration space between cubic and hexagonal close packing. It is suggested that such a transformation could perhaps be observed experimentally under extreme conditions of shock.

  19. Strong piezoelectricity in single-layer graphene deposited on SiO2 grating substrates.

    Science.gov (United States)

    da Cunha Rodrigues, Gonçalo; Zelenovskiy, Pavel; Romanyuk, Konstantin; Luchkin, Sergey; Kopelevich, Yakov; Kholkin, Andrei

    2015-06-25

    Electromechanical response of materials is a key property for various applications ranging from actuators to sophisticated nanoelectromechanical systems. Here electromechanical properties of the single-layer graphene transferred onto SiO2 calibration grating substrates is studied via piezoresponse force microscopy and confocal Raman spectroscopy. The correlation of mechanical strains in graphene layer with the substrate morphology is established via Raman mapping. Apparent vertical piezoresponse from the single-layer graphene supported by underlying SiO2 structure is observed by piezoresponse force microscopy. The calculated vertical piezocoefficient is about 1.4 nm V(-1), that is, much higher than that of the conventional piezoelectric materials such as lead zirconate titanate and comparable to that of relaxor single crystals. The observed piezoresponse and achieved strain in graphene are associated with the chemical interaction of graphene's carbon atoms with the oxygen from underlying SiO2. The results provide a basis for future applications of graphene layers for sensing, actuating and energy harvesting.

  20. Hypersonic Boundary Layer Measurements with Variable Blowing Rates Using Molecular Tagging Velocimetry

    Science.gov (United States)

    Bathel, Brett F.; Danehy, Paul M.; Johansen, Craig T.; Jones, Stephen B.; Goyne, Christopher P.

    2012-01-01

    Measurements of mean and instantaneous streamwise velocity profiles in a hypersonic boundary layer with variable rates of mass injection (blowing) of nitrogen dioxide (NO2) were obtained over a 10-degree half-angle wedge model. The NO2 was seeded into the flow from a slot located 29.4 mm downstream of the sharp leading edge. The top surface of the wedge was oriented at a 20 degree angle in the Mach 10 flow, yielding an edge Mach number of approximately 4.2. The streamwise velocity profiles and streamwise fluctuating velocity component profiles were obtained using a three-laser NO2->NO photolysis molecular tagging velocimetry method. Observed trends in the mean streamwise velocity profiles and profiles of the fluctuating component of streamwise velocity as functions of the blowing rate are described. An effort is made to distinguish between the effect of blowing rate and wall temperature on the measured profiles. An analysis of the mean velocity profiles for a constant blowing rate is presented to determine the uncertainty in the measurement for different probe laser delay settings. Measurements of streamwise velocity were made to within approximately 120 gm of the model surface. The streamwise spatial resolution in this experiment ranged from 0.6 mm to 2.6 mm. An improvement in the spatial precision of the measurement technique has been made, with spatial uncertainties reduced by about a factor of 2 compared to previous measurements. For the quiescent flow calibration measurements presented, uncertainties as low as 2 m/s are obtained at 95% confidence for long delay times (25 gs). For the velocity measurements obtained with the wind tunnel operating, average single-shot uncertainties of less than 44 m/s are obtained at 95% confidence with a probe laser delay setting of 1 gs. The measurements were performed in the 31-inch Mach 10 Air Tunnel at the NASA Langley Research Center.

  1. Growth and electronic structure of single-layered transition metal dichalcogenides

    DEFF Research Database (Denmark)

    Dendzik, Maciej

    2016-01-01

    The discovery of graphene has opened a novel research direction focused on the properties of 2D materials. Transition metal dichalcogenides (TMDCs) were quickly identified as important materials due to the great variety of electronic properties that they manifest – properties that are markedly...... different from graphene’s. For example, semiconducting TMDCs undergo an indirectdirect band gap transition when thinned to a single layer (SL); this results in greatly enhanced photoluminescence, making those materials attractive for applications in optoelectronics. Furthermore, metallic TMDCs can host...... TMDCs is directly studied with angle-resolved photoemission spectroscopy (ARPES) and x-ray photoelectron spectroscopy (XPS) techniques. Experimental results are compared with density-functional theory calculations (DFT), both for a free-standing layer and for a layer adsorbed on a metallic substrate...

  2. Controlling the formation of wrinkles in a single layer graphene sheet subjected to in-plane shear

    KAUST Repository

    Duan, Wen Hui

    2011-08-01

    The initiation and development of wrinkles in a single layer graphene sheet subjected to in-plane shear displacements are investigated. The dependence of the wavelength and amplitude of wrinkles on the applied shear displacements is explicitly obtained with molecular mechanics simulations. A continuum model is developed for the characteristics of the wrinkles which show that the wrinkle wavelength decreases with an increase in shear loading, while the amplitude of the wrinkles is found to initially increase and then become stable. The propagation and growth process of the wrinkles in the sheet is elucidated. It is expected that the research could promote applications of graphenes in the transportation of biological systems, separation science, and the development of the fluidic electronics. © 2011 Elsevier Ltd. All rights reserved.

  3. Towards single photon generation using NV centers in diamond coupled to thin layer optical waveguides

    International Nuclear Information System (INIS)

    Toshiyuki Tashima

    2014-01-01

    Single photon emitters like the nitrogen-vacancy (NV) center in diamond are important for quantum communication such as quantum cryptography and quantum metrology. In this context, e.g. tapered optical nano-fibers are a promising approach as they allow efficient coupling of single photons into a single spatial mode. Yet, integration of such fibers in a compact integrated quantum circuit is demanding. Here we propose a NV defect center in diamond as a single photon emitter coupled to a thin layer photonic waveguide. The benefit is to allow smaller size devices while having a similar strong evanescent field like tapered nano-optical fibers. We present numerical simulations and fabrication steps of such structures. (author)

  4. High Throughput Characterization of Epitaxially Grown Single-Layer MoS2

    Directory of Open Access Journals (Sweden)

    Foad Ghasemi

    2017-03-01

    Full Text Available The growth of single-layer MoS2 with chemical vapor deposition is an established method that can produce large-area and high quality samples. In this article, we investigate the geometrical and optical properties of hundreds of individual single-layer MoS2 crystallites grown on a highly-polished sapphire substrate. Most of the crystallites are oriented along the terraces of the sapphire substrate and have an area comprised between 10 µm2 and 60 µm2. Differential reflectance measurements performed on these crystallites show that the area of the MoS2 crystallites has an influence on the position and broadening of the B exciton while the orientation does not influence the A and B excitons of MoS2. These measurements demonstrate that differential reflectance measurements have the potential to be used to characterize the homogeneity of large-area chemical vapor deposition (CVD-grown samples.

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

    KAUST Repository

    Gan, Li Yong

    2016-08-30

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

  6. Edge structures and properties of triangular antidots in single-layer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Gan, Li-Yong, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); Cheng, Yingchun, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa; Huang, Wei [Key Laboratory of Flexible Electronics (KLOFE) and Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials - SICAM, Nanjing Tech University - NanjingTech, 30 South Puzhu Road, Nanjing 211816 (China); Schwingenschlögl, Udo, E-mail: ganly@swjtu.edu.cn, E-mail: iamyccheng@njtech.edu.cn, E-mail: udo.schwingenschlogl@kaust.edu.sa [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Yao, Yingbang [Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); School of Materials and Energy, Guangdong University of Technology, Guangdong 510006 (China); Zhao, Yong [Key Laboratory of Advanced Technology of Materials (Ministry of Education), Superconductivity and New Energy R& D Center, Southwest Jiaotong University, Chengdu, Sichuan 610031 (China); School of Physical Science and Technology, Southwest Jiaotong University, Chengdu, 610031 Sichuan (China); Zhang, Xi-xiang [Physical Science and Engineering Division (PSE), King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia); Advanced Nanofabrication and Imaging Core Lab, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900 (Saudi Arabia)

    2016-08-29

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

  7. Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling.

    Science.gov (United States)

    Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki

    2016-01-07

    Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene.

  8. Identification of excitons, trions and biexcitons in single-layer WS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Plechinger, Gerd; Nagler, Philipp; Kraus, Julia; Paradiso, Nicola; Strunk, Christoph; Schueller, Christian; Korn, Tobias [Institut fuer Experimentelle und Angewandte Physik, Universitaet Regensburg, 93040, Regensburg (Germany)

    2015-08-15

    Single-layer WS{sub 2} is a direct-gap semiconductor showing strong excitonic photoluminescence features in the visible spectral range. Here, we present temperature-dependent photoluminescence measurements on mechanically exfoliated single-layer WS{sub 2}, revealing the existence of neutral and charged excitons at low temperatures as well as at room temperature. By applying a gate voltage, we can electrically control the ratio of excitons and trions and assert a residual n-type doping of our samples. At high excitation densities and low temperatures, an additional peak at energies below the trion dominates the photoluminescence, which we identify as biexciton emission. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  9. Phonon-limited mobility in n-type single-layer MoS2 from first principles

    DEFF Research Database (Denmark)

    Kaasbjerg, Kristen; Thygesen, Kristian S.; Jacobsen, Karsten W.

    2012-01-01

    We study the phonon-limited mobility in intrinsic n-type single-layer MoS2 for temperatures T > 100 K. The materials properties including the electron-phonon interaction are calculated from first principles and the deformation potentials and Frohlich interaction in single-layer MoS2 are establish...

  10. Initial experience with application of single layer modified Kugel mesh for inguinal hernia repair: Case series of 72 consecutive patients

    Directory of Open Access Journals (Sweden)

    Pao-Hwa Chen

    2017-03-01

    Conclusion: The postoperative complication and recurrence rates of single-layer MK mesh herniorrhaphy was comparable with previously reported tension-free repair. Single-layer application is safe and feasible. A longer follow-up period and larger study group with a control group are needed to verify our method.

  11. Nonlinear Localization due to a Double Negative Defect Layer in a One-Dimensional Photonic Crystal Containing Single Negative Material Layers

    International Nuclear Information System (INIS)

    Ali, Munazza Zulfiqar; Abdullah, Tariq

    2008-01-01

    We investigate the effects of introducing a defect layer in a one-dimensional photonic crystal containing single negative material layers on the transmission properties. The width of the defect layer is taken to be the same or smaller than the period of the structure. Different cases of the defect layer being linear or nonlinear and double positive or double negative are discussed. It is found that only a nonlinear double negative layer gives rises to a localized mode within the zero-φ eff gap in this kind of structure. It is also shown that the important characteristics of the nonlinear defect mode such as its frequency, its FWHM and the threshold of the associated bistability can be controlled by changing the widths of the defect layer and the host layers

  12. Two-band induced superconductivity in single-layer graphene and topological insulator bismuth selenide

    Science.gov (United States)

    Talantsev, E. F.; Crump, W. P.; Tallon, J. L.

    2018-01-01

    Proximity-induced superconductivity in single-layer graphene (SLG) and in topological insulators represent almost ideal examples of superconductivity in two dimensions. Fundamental mechanisms governing superconductivity in the 2D limit are of central interest for modern condensed-matter physics. To deduce fundamental parameters of superconductor/graphene/superconductor and superconductor/bismuth selenide/superconductor junctions we investigate the self-field critical currents in these devices using the formalism of the Ambegaokar–Baratoff model. Our central finding is that the induced superconducting state in SLG and bismuth selenide each exhibits gapping on two superconducting bands. Based on recent results obtained on ultra-thin films of natural superconductors, including single-atomic layer of iron selenide, double and triple atomic layers of gallium, and several atomic layer tantalum disulphide, we conclude that a two-band induced superconducting state in SLG and bismuth selenide is part of a wider, more general multiple-band phenomenology of currently unknown origin.

  13. Antifuse with a single silicon-rich silicon nitride insulating layer

    Science.gov (United States)

    Habermehl, Scott D.; Apodaca, Roger T.

    2013-01-22

    An antifuse is disclosed which has an electrically-insulating region sandwiched between two electrodes. The electrically-insulating region has a single layer of a non-hydrogenated silicon-rich (i.e. non-stoichiometric) silicon nitride SiN.sub.X with a nitrogen content X which is generally in the range of 0silicon. Arrays of antifuses can also be formed.

  14. Model for a collimated spin wave beam generated by a single layer, spin torque nanocontact

    OpenAIRE

    Hoefer, M. A.; Silva, T. J.; Stiles, M. D.

    2007-01-01

    A model of spin torque induced magnetization dynamics based upon semi-classical spin diffusion theory for a single layer nanocontact is presented. The model incorporates effects due to the current induced Oersted field and predicts the generation of a variety of spatially dependent, coherent, precessional magnetic wave structures. Directionally controllable collimated spin wave beams, vortex spiral waves, and localized standing waves are found to be excited by the interplay of the Oersted fie...

  15. Doping-controlled phase transitions in single-layer MoS2

    Science.gov (United States)

    Zhuang, Houlong L.; Johannes, Michelle D.; Singh, Arunima K.; Hennig, Richard G.

    2017-10-01

    The electronic properties of single-layer MoS2 make it an ideal two-dimensional (2D) material for application in electronic devices. Experiments show that MoS2 can undergo structural phase transitions. Applications of single-layer MoS2 will require firm laboratory control over the phase formation. Here we compare the stability and electronic structure of the three experimentally observed single-layer MoS2 phases, 2 H ,1 T , and 1 T' , and an in-plane metal/semiconductor heterostructure. We reveal by density-functional theory calculations that charge doping can induce the phase transition of single-layer MoS2 from the 2 H to the 1 T structure. Further, the 1 T structure undergoes a second phase transition due to the occurrence of a charge-density wave (CDW). By comparing the energies of several possible resulting CDW structures, we find that the 1 T' orthorhombic structure is the most stable one, consistent with experimental observations and previous theoretical studies. We show that the underlying CDW transition mechanism is not due to Fermi surface nesting, but nonetheless, can be controlled by charge doping. In addition, the stability landscape is highly sensitive to charge doping, which can be used as a practical phase selector. We also provide a prescription for obtaining the 1 T' structure via growth or deposition of MoS2 on a Hf substrate, which transfers electrons uniformly and with minimal structural distortion. Finally, we show that lateral heterostructures formed by the 2 H and 1 T' structures exhibit a low interfacial energy of 0.17 eV/Å, a small Schottky barrier of 0.3 eV for holes, and a large barrier of 1.6 eV for electrons.

  16. Molecular Beam Epitaxy Growth and Characterization of Thin Layers of Semiconductor Tin

    Science.gov (United States)

    2016-09-01

    Semiconductor Tin by P Folkes, P Taylor, C Rong, B Nichols, H Hier, and M Neupane Approved for public release; distribution...Laboratory Molecular Beam Epitaxy Growth and Characterization of Thin Layers of Semiconductor Tin by P Folkes, P Taylor, C Rong, B Nichols... Semiconductor Tin 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) P Folkes, P Taylor, C Rong, B Nichols, H Hier, and M

  17. Molecular dynamics study of ice - vapolar interactions via the quasi-liquid layer

    Czech Academy of Sciences Publication Activity Database

    Neshyba, S.; Nugent, E.; Roeselová, Martina; Jungwirth, Pavel

    2009-01-01

    Roč. 113, č. 11 (2009), s. 4597-4604 ISSN 1932-7447 R&D Projects: GA MŠk LC512; GA MŠk 1P05ME798; GA MŠk(CZ) MEB020715 Institutional research plan: CEZ:AV0Z40550506 Keywords : ice * quasi-liquid layer * molecular dynamics Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.224, year: 2009

  18. Anisotropic carrier mobility in single- and bi-layer C3N sheets

    Science.gov (United States)

    Wang, Xueyan; Li, Qingfang; Wang, Haifeng; Gao, Yan; Hou, Juan; Shao, Jianxin

    2018-05-01

    Based on the density functional theory combined with the Boltzmann transport equation with relaxation time approximation, we investigate the electronic structure and predict the carrier mobility of single- and bi-layer newly fabricated 2D carbon nitrides C3N. Although C3N sheets possess graphene-like planar hexagonal structure, the calculated carrier mobility is remarkably anisotropic, which is found mainly induced by the anisotropic effective masses and deformation potential constants. Importantly, we find that both the electron and hole mobilities are considerable high, for example, the hole mobility along the armchair direction of single-layer C3N sheets can arrive as high as 1.08 ×104 cm2 V-1 s-1, greatly larger than that of C2N-h2D and many other typical 2D materials. Owing to the high and anisotropic carrier mobility and appropriate band gap, single- and bi-layer semiconducting C3N sheets may have great potential applications in high performance electronic and optoelectronic devices.

  19. Learning rate and attractor size of the single-layer perceptron

    International Nuclear Information System (INIS)

    Singleton, Martin S.; Huebler, Alfred W.

    2007-01-01

    We study the simplest possible order one single-layer perceptron with two inputs, using the delta rule with online learning, in order to derive closed form expressions for the mean convergence rates. We investigate the rate of convergence in weight space of the weight vectors corresponding to each of the 14 out of 16 linearly separable rules. These vectors follow zigzagging lines through the piecewise constant vector field to their respective attractors. Based on our studies, we conclude that a single-layer perceptron with N inputs will converge in an average number of steps given by an Nth order polynomial in (t/l), where t is the threshold, and l is the size of the initial weight distribution. Exact values for these averages are provided for the five linearly separable classes with N=2. We also demonstrate that the learning rate is determined by the attractor size, and that the attractors of a single-layer perceptron with N inputs partition R N +R N

  20. Laser-assisted fabrication of single-layer flexible touch sensor

    Science.gov (United States)

    Son, Seokwoo; Park, Jong Eun; Lee, Joohyung; Yang, Minyang; Kang, Bongchul

    2016-10-01

    Single-layer flexible touch sensor that is designed for the indium-tin-oxide (ITO)-free, bendable, durable, multi-sensible, and single layer transparent touch sensor was developed via a low-cost and one-step laser-induced fabrication technology. To this end, an entirely novel approach involving material, device structure, and even fabrication method was adopted. Conventional metal oxides based multilayer touch structure was substituted by the single layer structure composed of integrated silver wire networks of sensors and bezel interconnections. This structure is concurrently fabricated on a glass substitutive plastic film via the laser-induced fabrication method using the low-cost organometallic/nanoparticle hybrid complex. In addition, this study addresses practical solutions to heterochromia and interference problem with a color display unit. As a result, a practical touch sensor is successfully demonstrated through resolving the heterochromia and interference problems with color display unit. This study could provide the breakthrough for early realization of wearable device.

  1. Inhomogeneous Relaxation of a Molecular Layer on an Insulator due to Compressive Stress

    Science.gov (United States)

    Bocquet, F.; Nony, L.; Mannsfeld, S. C. B.; Oison, V.; Pawlak, R.; Porte, L.; Loppacher, Ch.

    2012-05-01

    We discuss the inhomogeneous stress relaxation of a monolayer of hexahydroxytriphenylene (HHTP) which adopts the rare line-on-line (LOL) coincidence on KCl(001) and forms moiré patterns. The fact that the hexagonal HHTP layer is uniaxially compressed along the LOL makes this system an ideal candidate to discuss the influence of inhomogeneous stress relaxation. Our work is a combination of noncontact atomic force microscopy experiments, density functional theory and potential energy calculations, and a thorough interpretation by means of the Frenkel-Kontorova model. We show that the assumption of a homogeneous molecular layer is not valid for this organic-inorganic heteroepitaxial system since the best calculated energy configuration correlates with the experimental data only if inhomogeneous relaxations of the layer are taken into account.

  2. Sidewall GaAs tunnel junctions fabricated using molecular layer epitaxy

    Directory of Open Access Journals (Sweden)

    Takeo Ohno and Yutaka Oyama

    2012-01-01

    Full Text Available In this article we review the fundamental properties and applications of sidewall GaAs tunnel junctions. Heavily impurity-doped GaAs epitaxial layers were prepared using molecular layer epitaxy (MLE, in which intermittent injections of precursors in ultrahigh vacuum were applied, and sidewall tunnel junctions were fabricated using a combination of device mesa wet etching of the GaAs MLE layer and low-temperature area-selective regrowth. The fabricated tunnel junctions on the GaAs sidewall with normal mesa orientation showed a record peak current density of 35 000 A cm-2. They can potentially be used as terahertz devices such as a tunnel injection transit time effect diode or an ideal static induction transistor.

  3. Photoluminescence characteristics of Pb-doped, molecular-beam-epitaxy grown ZnSe crystal layers

    International Nuclear Information System (INIS)

    Mita, Yoh; Kuronuma, Ryoichi; Inoue, Masanori; Sasaki, Shoichiro; Miyamoto, Yoshinobu

    2004-01-01

    The characteristic green photoluminescence emission and related phenomena in Pb-doped, molecular-beam-epitaxy (MBE)-grown ZnSe crystal layers were investigated to explore the nature of the center responsible for the green emission. The intensity of the green emission showed a distinct nonlinear dependence on excitation intensity. Pb-diffused polycrystalline ZnSe was similarly examined for comparison. The characteristic green emission has been observed only in MBE-grown ZnSe crystal layers with moderate Pb doping. The results of the investigations on the growth conditions, luminescence, and related properties of the ZnSe crystal layers suggest that the green emission is due to isolated Pb replacing Zn and surrounded with regular ZnSe lattice with a high perfection

  4. Molecular epidemiology of a reproductive tract-associated colibacillosis outbreak in a layer breeder flock associated with atypical avian pathogenic Escherichia coli

    OpenAIRE

    Wigley, Paul

    2008-01-01

    Abstract The molecular epidemiology of 70 Escherichia coli isolates from an infection outbreak in a layer breeder flock was examined by pulsed field gel electrophoresis (PFGE) and for a range of virulence factors by PCR. PFGE showed 35 of 45 isolates from eight disease cases was associated with a single clonal group that was the exclusive strain associated with reproductive tract. A second unrelated group was found in environmental isolates and healthy birds. Remaining isolates wer...

  5. Molecular beam epitaxy of InN layers on Sapphire, GaN and indium tin oxide

    Energy Technology Data Exchange (ETDEWEB)

    Denker, Christian; Landgraf, Boris; Schuhmann, Henning; Malindretos, Joerg; Seibt, Michael; Rizzi, Angela [IV. Physikalisches Institut, Georg-August-Universitaet Goettingen (Germany); Segura-Ruiz, Jaime; Gomez-Gomez, Maribel; Cantarero, Andres [Materials Science Institute, University of Valencia, Paterna (Spain)

    2009-07-01

    Among the group-III nitrides semiconductors, InN is the one with the narrowest gap (0.67 eV), lowest effective electron mass and highest peak drift velocity. It is therefore a very interesting material for several applications, in particular semiconductor solar cells. Furthermore, the high electron affinity makes it suitable also as electrode material for organic solar cells. InN layers were grown by molecular beam epitaxy on MOCVD GaN templates, on bare c-plane sapphire and on polycrystalline indium tin oxide. On all substrates the III-V ratio as well as the substrate temperature was varied. A RHEED analysis of InN growth on GaN showed a relatively sharp transition from N-rich and columnar growth to In-rich growth with droplet formation by increasing the In flux impinging on the surface. The InN layers on single crystalline substrates were characterized by SEM, AFM, XRD, PL and Raman. The InN layers on ITO were mainly analyzed with respect to the surface morphology with SEM. HRTEM in cross section gives insight into the structure of the interface to the ITO substrate.

  6. Secretion of wound healing mediators by single and bi-layer skin substitutes.

    Science.gov (United States)

    Maarof, Manira; Law, Jia Xian; Chowdhury, Shiplu Roy; Khairoji, Khairul Anuar; Saim, Aminuddin Bin; Idrus, Ruszymah Bt Hj

    2016-10-01

    Limitations of current treatments for skin loss caused by major injuries leads to the use of skin substitutes. It is assumed that secretion of wound healing mediators by these skin substitutes plays a role in treating skin loss. In our previous study, single layer keratinocytes (SK), single layer fibroblast (SF) and bilayer (BL; containing keratinocytes and fibroblasts layers) skin substitutes were fabricated using fibrin that had shown potential to heal wounds in preclinical studies. This study aimed to quantify the secretion of wound healing mediators, and compare between single and bi-layer skin substitutes. Skin samples were digested to harvest fibroblasts and keratinocytes, and expanded to obtain sufficient cells for the construction of skin substitutes. Acellular fibrin (AF) construct was used as control. Substitutes i.e. AF, SK, SF and BL were cultured for 2 days, and culture supernatant was collected to analyze secretion of wound healing mediators via multiplex ELISA. Among 19 wound healing mediators tested, BL substitute secreted significantly higher amounts of CXCL1 and GCSF compared to SF and AF substitute but this was not significant with respect to SK substitute. The BL substitute also secreted significantly higher amounts of CXCL5 and IL-6 compared to other substitutes. In contrast, the SK substitute secreted significantly higher amounts of VCAM-1 compared to other substitutes. However, all three skin substitutes also secreted CCL2, CCL5, CCL11, GM-CSF, IL8, IL-1α, TNF-α, ICAM-1, FGF-β, TGF-β, HGF, VEGF-α and PDGF-BB factors, but no significant difference was seen. Secretion of these mediators after transplantation may play a significant role in promoting wound healing process for the treatment of skin loss.

  7. Improving the light-emitting properties of single-layered polyfluorene light-emitting devices by simple ionic liquid blending

    Science.gov (United States)

    Horike, Shohei; Nagaki, Hiroto; Misaki, Masahiro; Koshiba, Yasuko; Morimoto, Masahiro; Fukushima, Tatsuya; Ishida, Kenji

    2018-03-01

    This paper describes an evaluation of ionic liquids (ILs) as potential electrolytes for single-layered light-emitting devices with good emission performance. As optoelectronic devices continue to grow in abundance, high-performance light-emitting devices with a single emission layer are becoming increasingly important for low-cost production. We show that a simple technique of osmosing IL into the polymer layer can result in high luminous efficiency and good response times of single-layered light-emitting polymers, even without the additional stacking of charge carrier injection and transport layers. The IL contributions to the light-emission of the polymer are discussed from the perspectives of energy diagrams and of the electric double layers on the electrodes. Our findings enable a faster, cheaper, and lower-in-waste production of light-emitting devices.

  8. Molecular electronics: the single molecule switch and transistor

    NARCIS (Netherlands)

    Sotthewes, Kai; Geskin, Victor; Heimbuch, Rene; Kumar, Avijit; Zandvliet, Henricus J.W.

    2014-01-01

    In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected

  9. Single layered flexible photo-detector based on perylene/graphene composite through printed technology

    Science.gov (United States)

    Ali, Shawkat; Bae, Jinho; Lee, Chong Hyun

    2015-07-01

    In this paper, a single layered passive photo sensor based on perylene/graphene composite is proposed, which is deposited in comb type silver electrodes separated as 50 μm spacing. To increase an electrical conductivity of the proposed sensor, perylene and graphene are blended. Photo sensing layer (120nm thick) and Silver electrodes (50 μm width, 350 nm thick) are deposited on poly(ethylene terephthalate) (PET) substrate through electro-hydrodynamic (EHD) system. The proposed photo sensor detects a terminal resistance inversely varied by an incident light in the range between 78 GΩ in dark and 25 GΩ at light intensity of 400lux. The device response is maximum at 465 nm ~ 535 nm wavelength range at blue light. The device exhibited bendability up to 4mm diameter for 1000 endurance cycles. The surface morphology analysis is carried out with FE-SEM and microscope.

  10. Pattern formation in single-phase FAC. A stability analysis of an oxide layer

    Energy Technology Data Exchange (ETDEWEB)

    Zinemanas, Daniel [The Israel Electric Corp., Haifa (Israel). Dept. of Chemistry; Herszage, Amiel [The Israel Electric Corp., Haifa (Israel). Dept. of Energy Technologies Development

    2013-03-15

    Pattern formation is a salient characteristic of the flow-accelerated corrosion process, particularly in single-phase flow, where a typical ''orange peel'' surface texture is normally formed. The process of such pattern formation is, however, not well understood. In order to gain some insight into the role of the various processes and parameters involved in this process, a linear stability analysis of an oxide layer based on the Sanchez-Caldera model was performed. According to the results obtained in this study, it follows that the oxide layer is stable regarding perturbations of the oxide thickness or the reaction constant, but it is unstable in respect to perturbations of the mass transfer coefficient. These results suggest therefore that the flow, and not local surface in homogeneities, plays a central role in the pattern formation process. (orig.)

  11. Conceptual Design of a Single-Aisle Turboelectric Commercial Transport With Fuselage Boundary Layer Ingestion

    Science.gov (United States)

    Welstead, Jason R.; Felder, James L.

    2016-01-01

    A single-aisle commercial transport concept with a turboelectric propulsion system architecture was developed assuming entry into service in 2035 and compared to a similar technology conventional configuration. The turboelectric architecture consisted of two underwing turbofans with generators extracting power from the fan shaft and sending it to a rear fuselage, axisymmetric, boundary layer ingesting fan. Results indicate that the turbo- electric concept has an economic mission fuel burn reduction of 7%, and a design mission fuel burn reduction of 12% compared to the conventional configuration. An exploration of the design space was performed to better understand how the turboelectric architecture changes the design space, and system sensitivities were run to determine the sensitivity of thrust specific fuel consumption at top of climb and propulsion system weight to the motor power, fan pressure ratio, and electrical transmission efficiency of the aft boundary layer ingesting fan.

  12. An optical, electrical and ultrasonic layered single sensor for ingredient measurement in liquid

    International Nuclear Information System (INIS)

    Kimoto, A; Kitajima, T

    2010-01-01

    In this paper, an optical, electrical and ultrasonic layered single sensor is proposed as a new, non-invasive sensing method for the measurement of ingredients in liquid, particularly in the food industry. In the proposed sensor, the photo sensors and the PVDF films with the transparent conductive electrode are layered and the optical properties of the liquid are measured by a light emitting diode (LED) and a phototransistor (PT). In addition, the electrical properties are measured by indium tin oxide (ITO) film electrodes as the transparent conductive electrodes of PVDF films arranged on the surfaces of the LED and PT. Moreover, the ultrasonic properties are measured by PVDF films. Thus, the optical, electrical and ultrasonic properties in the same space of the liquid can be simultaneously measured at a single sensor. To test the sensor experimentally, three parameters of the liquid—such as concentrations of yellow color, sodium chloride (NaCl) and ethanol in distilled water—were estimated using the measurement values of the optical, electrical and ultrasonic properties obtained with the proposed sensor. The results suggested that it is possible to estimate the three ingredient concentrations in the same space of the liquid from the optical, electrical and ultrasonic properties measured by the proposed single sensor, although there are still some problems such as measurement accuracy that must be solved

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

    Science.gov (United States)

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

    2014-10-23

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

  14. On-Chip Waveguide Coupling of a Layered Semiconductor Single-Photon Source.

    Science.gov (United States)

    Tonndorf, Philipp; Del Pozo-Zamudio, Osvaldo; Gruhler, Nico; Kern, Johannes; Schmidt, Robert; Dmitriev, Alexander I; Bakhtinov, Anatoly P; Tartakovskii, Alexander I; Pernice, Wolfram; Michaelis de Vasconcellos, Steffen; Bratschitsch, Rudolf

    2017-09-13

    Fully integrated quantum technology based on photons is in the focus of current research, because of its immense potential concerning performance and scalability. Ideally, the single-photon sources, the processing units, and the photon detectors are all combined on a single chip. Impressive progress has been made for on-chip quantum circuits and on-chip single-photon detection. In contrast, nonclassical light is commonly coupled onto the photonic chip from the outside, because presently only few integrated single-photon sources exist. Here, we present waveguide-coupled single-photon emitters in the layered semiconductor gallium selenide as promising on-chip sources. GaSe crystals with a thickness below 100 nm are placed on Si 3 N 4 rib or slot waveguides, resulting in a modified mode structure efficient for light coupling. Using optical excitation from within the Si 3 N 4 waveguide, we find nonclassicality of generated photons routed on the photonic chip. Thus, our work provides an easy-to-implement and robust light source for integrated quantum technology.

  15. Single-layer centrifugation through colloid selects improved quality of epididymal cat sperm.

    Science.gov (United States)

    Chatdarong, K; Thuwanut, P; Morrell, J M

    2010-06-01

    The objectives were to determine the: 1) extent of epithelial and red blood cell contamination in epididymal cat sperm samples recovered by the cutting method; 2) efficacy of simple washing, single-layer centrifugation (SLC), and swim-up for selecting epididymal cat sperm; and 3) effects of freezing and thawing on cat sperm selected by various techniques. Ten unit samples were studied; each contained sperm from the cauda epididymides of four cats (total, approximately 200 x 10(6) sperm) and was equally allocated into four treatments: 1) simple washing, 2) single-layer centrifugation through colloid prior to cryopreservation (SLC-PC), 3) single-layer centrifugation through colloid after cryopreservation (SLC-AC), and 4) swim-up. Centrifugation (300 x g for 20 min) was done for all methods. The SLC-PC had a better recovery rate than the SLC-AC and swim-up methods (mean+/-SD of 16.4+/-8.7, 10.7+/-8.9, and 2.3+/-1.7%, respectively; Pblood cell contamination than simple washed samples (0.02+/-0.01, 0.02+/-0.04, 0.03+/-0.04, and 0.44+/-0.22 x 10(6) cells/mL, respectively; P0.05), SLC-PC yielded the highest percentage of sperm with normal midpieces and tails (P0.05). In conclusion, both SLC-PC and swim-up improved the quality of epididymal cat sperm, including better morphology, membrane and DNA integrity, and removal of cellular contamination. However, SLC had a better sperm recovery rate than swim-up. 2010 Elsevier Inc. All rights reserved.

  16. Spin effects in MoS{sub 2} and WS{sub 2} single layers

    Energy Technology Data Exchange (ETDEWEB)

    Kioseoglou, G. [Department of Materials Science and Technology, University of Crete, Heraklion (Greece); Institute of Electronic Structure and Laser (IESL), Foundation for Research and Technology Hellas (FORTH), Heraklion, Crete (Greece); Korkusinski, M. [Quantum Theory Group, Emerging Technologies Division, National Research Council, Ottawa, ON (Canada); Scrace, T. [University at Buffalo, SUNY, Buffalo, NY (United States); Hanbicki, A.T.; Currie, M.; Jonker, B.T.; Petrou, A. [Naval Research Laboratory, Washington, DC (United States); Hawrylak, P. [Quantum Theory Group, Emerging Technologies Division, National Research Council, Ottawa, ON (Canada); Department of Physics, University of Ottawa, ON (Canada)

    2016-01-15

    Replacing the two sublattices of carbon atoms in graphene with transition metal atoms and chalcogenide dimers results in single layers of transition metal dichalcogenides (TMDCs). TMDCs are promising new materials for light and energy harvesting, transistors, sensors and quantum information processing. One way to access the distinctive functionality of these materials is via their optical selection rules. In particular, light with positive or negative helicity is absorbed differently, therefore, understanding the interaction of circularly polarized light with various TMDCs should enable future applications. Using the examples of MoS{sub 2} and WS{sub 2} we summarize some recent results that illustrate the potential of these materials. First, when optically excited with circularly polarized light, single layers of MoS{sub 2} can emit light with an appreciable polarization. Depolarization mechanisms can be subsequently explored by monitoring the polarization of emitted photoluminescence as a function of the excess energy supplied to the system. As the energy of the pumping light increases further from the emission channel, the emission quickly becomes depolarized. The dominant relaxation mechanism is identified as phonon-assisted intervalley scattering. In single layers of WS{sub 2} containing electron gas, the main emission channel is from negatively charged excitons, or trions. In the presence of a two-dimensional electron gas this trion emission is circularly polarized at zero magnetic field, even when excited with linearly polarized light. This spontaneous circular polarization of the trion has a linear dependence on magnetic field and can be attributed to the existence of a valley polarized state of the two-dimensional electron gas. (copyright 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Exploring single-layered SnSe honeycomb polymorphs for optoelectronic and photovoltaic applications

    Science.gov (United States)

    Ul Haq, Bakhtiar; AlFaify, S.; Ahmed, R.; Butt, Faheem K.; Laref, A.; Shkir, Mohd.

    2018-02-01

    Single-layered tin selenide that shares the same structure with phosphorene and possesses intriguing optoelectronic properties has received great interest as a two-dimensional material beyond graphene and phosphorene. Herein, we explore the optoelectronic response of the newly discovered stable honeycomb derivatives (such as α , β , γ , δ , and ɛ ) of single-layered SnSe in the framework of density functional theory. The α , β , γ , and δ derivatives of a SnSe monolayer have been found to exhibit an indirect band gap, however, the dispersion of their band-gap edges demonstrates multiple direct band gaps at a relatively high energy. The ɛ -SnSe, however, features an intrinsic direct band gap at the high-symmetry Γ point. Their energy band gaps (0.53, 2.32, 1.52, 1.56, and 1.76 eV for α -, β -, γ -, δ -, and ɛ -SnSe, respectively), calculated at the level of the Tran-Blaha modified Becke-Johnson approach, mostly fall right in the visible range of the electromagnetic spectrum and are in good agreement with the available literature. The optical spectra of these two-dimensional (2D) SnSe polymorphs (besides β -SnSe) are highly anisotropic and possess strictly different optical band gaps along independent diagonal components. They show high absorption in the visible and UV ranges. Similarly, the reflectivity, refraction, and optical conductivities inherit strong anisotropy from the dielectric functions as well and are highly visible-UV polarized along the cartesian coordinates, showing them to be suitable for optical filters, polarizers, and shields against UV radiation. Our investigations suggest these single-layered SnSe allotropes as a promising 2D material for next-generation nanoscale optoelectronic and photovoltaic applications beyond graphene and phosphorene.

  18. A learning rule for very simple universal approximators consisting of a single layer of perceptrons.

    Science.gov (United States)

    Auer, Peter; Burgsteiner, Harald; Maass, Wolfgang

    2008-06-01

    One may argue that the simplest type of neural networks beyond a single perceptron is an array of several perceptrons in parallel. In spite of their simplicity, such circuits can compute any Boolean function if one views the majority of the binary perceptron outputs as the binary output of the parallel perceptron, and they are universal approximators for arbitrary continuous functions with values in [0,1] if one views the fraction of perceptrons that output 1 as the analog output of the parallel perceptron. Note that in contrast to the familiar model of a "multi-layer perceptron" the parallel perceptron that we consider here has just binary values as outputs of gates on the hidden layer. For a long time one has thought that there exists no competitive learning algorithm for these extremely simple neural networks, which also came to be known as committee machines. It is commonly assumed that one has to replace the hard threshold gates on the hidden layer by sigmoidal gates (or RBF-gates) and that one has to tune the weights on at least two successive layers in order to achieve satisfactory learning results for any class of neural networks that yield universal approximators. We show that this assumption is not true, by exhibiting a simple learning algorithm for parallel perceptrons - the parallel delta rule (p-delta rule). In contrast to backprop for multi-layer perceptrons, the p-delta rule only has to tune a single layer of weights, and it does not require the computation and communication of analog values with high precision. Reduced communication also distinguishes our new learning rule from other learning rules for parallel perceptrons such as MADALINE. Obviously these features make the p-delta rule attractive as a biologically more realistic alternative to backprop in biological neural circuits, but also for implementations in special purpose hardware. We show that the p-delta rule also implements gradient descent-with regard to a suitable error measure

  19. Attractive mechanical properties of a lightweight highly sensitive bi layer thermistor: polycarbonate/organic molecular conductor

    International Nuclear Information System (INIS)

    Laukhina, E; Lebedev, V; Rovira, C; Laukhin, V; Veciana, J

    2016-01-01

    The paper covers some of the basic mechanical characteristics of a recently developed bi layer thermistor: polycarbonate/(001) oriented layer of organic molecular conductor α’-(BEDT-TTF) 2 I x Br 3-x , were BEDT-TTF=bis(ethylenedithio)tetrathiafulvalen. The nano and macro mechanical properties have been studied in order to use this flexible, low cost thermistor in sensing applications by proper way. The nano-mechanical properties of the temperature sensitive semiconducting layer of α’-(BEDT-TTF) 2 I x Br 3-x were tested using nanoindentation method. The value of Young's modulus in direction being perpendicular to the layer plan was found as 9.0 ±1.4 GPa. The macro mechanical properties of the thermistor were studied using a 5848 MicroTester. The tensile tests showed that basic mechanical characteristics of the thermistor are close to those of polycarbonate films. This indicates a good mechanical strength of the developed sensor. Therefore, the thermistor can be used in technologies that need to be instrumented with highly robustness lightweight low cost temperature sensors. The paper also reports synthetic details on fabricating temperature sensing e-textile. As the temperature control is becoming more and more important in biomedical technologies like healthcare monitoring, this work strongly contributes on the ongoing research on engineering sensitive conducting materials for biomedical applications. (paper)

  20. Valley polarization in magnetically doped single-layer transition-metal dichalcogenides

    KAUST Repository

    Cheng, Yingchun

    2014-04-28

    We demonstrate that valley polarization can be induced and controlled in semiconducting single-layer transition-metal dichalcogenides by magnetic doping, which is important for spintronics, valleytronics, and photonics devices. As an example, we investigate Mn-doped MoS2 by first-principles calculations. We study how the valley polarization depends on the strength of the spin orbit coupling and the exchange interaction and discuss how it can be controlled by magnetic doping. Valley polarization by magnetic doping is also expected for other honeycomb materials with strong spin orbit coupling and the absence of inversion symmetry.

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

    DEFF Research Database (Denmark)

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

    2000-01-01

    We have studied using scanning tunneling microscopy (STM) the atomic-scale realm of molybdenum disulfide (MoS2) nanoclusters, which are of interest as a model system in hydrodesulfurization catalysis. The STM gives the first real space images of the shape and edge structure of single-layer MoS2 n...... nanoparticles synthesized on Au(lll), and establishes a new picture of the active edge sires of the nanoclusters. The results demonstrate a way to get detailed atomic-scale information on catalysts in general....

  2. Subattoampere current induced by single ions in silicon oxide layers of nonvolatile memory cells

    International Nuclear Information System (INIS)

    Cellere, G.; Paccagnella, A.; Larcher, L.; Visconti, A.; Bonanomi, M.

    2006-01-01

    A single ion impinging on a thin silicon dioxide layer generates a number of electron/hole pairs proportional to its linear energy transfer coefficient. Defects generated by recombination can act as a conductive path for electrons that cross the oxide barrier, thanks to a multitrap-assisted mechanism. We present data on the dependence of this phenomenon on the oxide thickness by using floating gate memory arrays. The tiny number of excess electrons stored in these devices allows for extremely high sensitivity, impossible with any direct measurement of oxide leakage current. Results are of particular interest for next generation devices

  3. Self-Assembly of Single-Layer CoAl-Layered Double Hydroxide Nanosheets on 3D Graphene Network Used as Highly Efficient Electrocatalyst for Oxygen Evolution Reaction.

    Science.gov (United States)

    Ping, Jianfeng; Wang, Yixian; Lu, Qipeng; Chen, Bo; Chen, Junze; Huang, Ying; Ma, Qinglang; Tan, Chaoliang; Yang, Jian; Cao, Xiehong; Wang, Zhijuan; Wu, Jian; Ying, Yibin; Zhang, Hua

    2016-09-01

    A non-noble metal based 3D porous electrocatalyst is prepared by self-assembly of the liquid-exfoliated single-layer CoAl-layered double hydroxide nanosheets (CoAl-NSs) onto 3D graphene network, which exhibits higher catalytic activity and better stability for electrochemical oxygen evolution reaction compared to the commercial IrO2 nanoparticle-based 3D porous electrocatalyst. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Molecular analysis of desmoid tumors with a high-density single-nucleotide polymorphism array identifies new molecular candidate lesions

    OpenAIRE

    Erben, Philipp; Nowak, Daniel; Sauer, Christian; Ströbel, Philipp; Hofmann, Wolf-Karsten; Hofheinz, Ralf-Dieter; Hohenberger, Peter; Kasper, Bernd

    2012-01-01

    Background: Desmoid tumors are neoplastic proliferations of connective tissues. The mutation status of the gene coding for catenin (cadherin-associated protein) beta 1 (CTNNB1) and trisomy 8 on the chromosomal level have been described to have prognostic relevance. Patients and Methods: In order to elucidate new molecular mechanisms underlying these tumors, we carried out a molecular analysis with a genome-wide human high-density single-nucleotide polymorphism (SNP) array, in 9 patients. Resu...

  5. Effect of physicochemical factors on the microplasticity of the surface layer of molybdenum single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Savenko, V.I.; Kuchumova, V.M.; Kochanova, L.A.; Shchukin, E.D.

    1984-07-01

    The microplastic properties of the surface layer of molybdenum single crystals produced by electron-beam zone melting have been investigated experimentaly using ultramicrosclerometry and microindentation techniques. It is found that the 111 plane has the highest susceptibility to plastic damage, while the 100 plane is the hardest. An analysis of the stressed state of the material under an indenter shows that the dislocation density along the loading paths, which characterizes the microplasticity of the material, is largely determined by the crystallography of the lattice, i.e., by the arrangement and the number of effective slip systems in specimens of different orientations. The effect of a monolayer octadecylamine film on the microplastic behavior of molybdenum single crystals is discussed.

  6. Growth of bi- and tri-layered graphene on silicon carbide substrate via molecular dynamics simulation

    Energy Technology Data Exchange (ETDEWEB)

    Min, Tjun Kit; Yoon, Tiem Leong [School of Physics, Universiti Sains Malaysia, 11800 USM, Penang (Malaysia); Lim, Thong Leng [Faculty of Engineering and Technology, Multimedia University, Melaka Campus, 75450 Melaka (Malaysia)

    2015-04-24

    Molecular dynamics (MD) simulation with simulated annealing method is used to study the growth process of bi- and tri-layered graphene on a 6H-SiC (0001) substrate via molecular dynamics simulation. Tersoff-Albe-Erhart (TEA) potential is used to describe the inter-atomic interactions among the atoms in the system. The formation temperature, averaged carbon-carbon bond length, pair correlation function, binding energy and the distance between the graphene formed and the SiC substrate are quantified. The growth mechanism, graphitization of graphene on the SiC substrate and characteristics of the surface morphology of the graphene sheet obtained in our MD simulation compare well to that observed in epitaxially grown graphene experiments and other simulation works.

  7. A retrospective study comparing the outcome of horses undergoing small intestinal resection and anastomosis with a single layer (Lembert) or double layer (simple continuous and Cushing) technique.

    Science.gov (United States)

    Close, Kristyn; Epstein, Kira L; Sherlock, Ceri E

    2014-05-01

    To (1) compare postoperative complications and survival in horses after small intestinal resection and anastomosis using 2 anastomosis techniques (single layer Lembert; double layer simple continuous oversewn with Cushing), and (2) to compare outcome by anastomosis type (jejunoileostomy; jejunojejunostomy). Retrospective case series. Horses (n = 53). Medical records (July 2006-July 2010) of all horses that had small intestinal resection and anastomosis. Horses were divided into groups based on technique and type of anastomosis. Comparisons of pre- and intraoperative findings (disease severity), postoperative complications, and survival rates were made between groups. There were no differences in disease severity, postoperative complications, or survival between single layer (n = 23) or double layer (n = 31) anastomoses. There were no differences in disease severity or survival between jejunoileostomy (n = 16) or jejunojejunostomy (n = 38). There was a higher incidence of postoperative colic in hospital after jejunoileostomy (13/16) compared with jejunojejunostomy (18/38) (P = .0127). Postoperative complications and survival are comparable between horses undergoing single layer and double layer small intestinal end-to-end anastomoses. With the exception of increased postoperative colic in the hospital, postoperative complications and survival after jejunoileostomy and jejunojejunostomy are also comparable. © Copyright 2014 by The American College of Veterinary Surgeons.

  8. Strength Comparison of Flawed Single-Layer and Multilayer AISI 301 Stainless Steel Pressure Vessels at Cryogenic Temperatures

    National Research Council Canada - National Science Library

    Pierce, William

    1965-01-01

    An experimental investigation was conducted to determine the strengths of single-layer and multilayer scale model tanks of AISI 301 stainless steel containing sharp notches and having the same total wall thickness...

  9. Effect of Substrate Permittivity and Thickness on Performance of Single-Layer, Wideband, U-Slot Antennas on Microwave Substrates

    National Research Council Canada - National Science Library

    Natarajan, V; Chatterjee, D

    2004-01-01

    This paper presents effects of substrate permittivity and thickness on the performance characteristics like impedance bandwidth, radiation efficiency and gain of a single-layer, wideband, U-slot antenna...

  10. Toward Molecular 4f Single-Ion Magnet Qubits.

    Science.gov (United States)

    Pedersen, Kasper S; Ariciu, Ana-Maria; McAdams, Simon; Weihe, Høgni; Bendix, Jesper; Tuna, Floriana; Piligkos, Stergios

    2016-05-11

    Quantum coherence is detected in the 4f single-ion magnet (SIM) Yb(trensal), by isotope selective pulsed EPR spectroscopy on an oriented single crystal. At X-band, the spin-lattice relaxation (T1) and phase memory (Tm) times are found to be independent of the nuclei bearing, or not, a nuclear spin. The observation of Rabi oscillations of the spin echo demonstrates the possibility to coherently manipulate the system for more than 70 rotations. This renders Yb(trensal), a sublimable and chemically modifiable SIM, an excellent candidate for quantum information processing.

  11. Electronic origin of high-temperature superconductivity in single-layer FeSe superconductor.

    Science.gov (United States)

    Liu, Defa; Zhang, Wenhao; Mou, Daixiang; He, Junfeng; Ou, Yun-Bo; Wang, Qing-Yan; Li, Zhi; Wang, Lili; Zhao, Lin; He, Shaolong; Peng, Yingying; Liu, Xu; Chen, Chaoyu; Yu, Li; Liu, Guodong; Dong, Xiaoli; Zhang, Jun; Chen, Chuangtian; Xu, Zuyan; Hu, Jiangping; Chen, Xi; Ma, Xucun; Xue, Qikun; Zhou, X J

    2012-07-03

    The recent discovery of high-temperature superconductivity in iron-based compounds has attracted much attention. How to further increase the superconducting transition temperature (T(c)) and how to understand the superconductivity mechanism are two prominent issues facing the current study of iron-based superconductors. The latest report of high-T(c) superconductivity in a single-layer FeSe is therefore both surprising and significant. Here we present investigations of the electronic structure and superconducting gap of the single-layer FeSe superconductor. Its Fermi surface is distinct from other iron-based superconductors, consisting only of electron-like pockets near the zone corner without indication of any Fermi surface around the zone centre. Nearly isotropic superconducting gap is observed in this strictly two-dimensional system. The temperature dependence of the superconducting gap gives a transition temperature T(c)~ 55 K. These results have established a clear case that such a simple electronic structure is compatible with high-T(c) superconductivity in iron-based superconductors.

  12. Retrieving 4-dimensional atmospheric boundary layer structure from surface observations and profiles over a single station

    Energy Technology Data Exchange (ETDEWEB)

    Pu, Zhaoxia [Univ. of Utah, Salt Lake City, UT (United States)

    2015-10-06

    Most routine measurements from climate study facilities, such as the Department of Energy’s ARM SGP site, come from individual sites over a long period of time. While single-station data are very useful for many studies, it is challenging to obtain 3-dimensional spatial structures of atmospheric boundary layers that include prominent signatures of deep convection from these data. The principal objective of this project is to create realistic estimates of high-resolution (~ 1km × 1km horizontal grids) atmospheric boundary layer structure and the characteristics of precipitating convection. These characteristics include updraft and downdraft cumulus mass fluxes and cold pool properties over a region the size of a GCM grid column from analyses that assimilate surface mesonet observations of wind, temperature, and water vapor mixing ratio and available profiling data from single or multiple surface stations. The ultimate goal of the project is to enhance our understanding of the properties of mesoscale convective systems and also to improve their representation in analysis and numerical simulations. During the proposed period (09/15/2011–09/14/2014) and the no-cost extension period (09/15/2014–09/14/2015), significant accomplishments have been achieved relating to the stated goals. Efforts have been extended to various research and applications. Results have been published in professional journals and presented in related science team meetings and conferences. These are summarized in the report.

  13. Single layer porous media with entrapped minerals for microscale studies of multiphase flow.

    Science.gov (United States)

    Liefferink, R W; Naillon, A; Bonn, D; Prat, M; Shahidzadeh, N

    2018-03-27

    The behaviour of minerals (i.e. salts) such as sodium chloride and calcite in porous media is very important in various applications such as weathering of artworks, oil recovery and CO2 sequestration. We report a novel method for manufacturing single layer porous media in which minerals can be entrapped in a controlled way in order to study their dissolution and recrystallization. In addition, our manufacturing method is a versatile tool for creating monomodal, bimodal or multimodal pore size microporous media with controlled porosity ranging from 25% to 50%. These micromodels allow multiphase flows to be quantitatively studied with different microscopy techniques and can serve to validate numerical models that can subsequently be extended to the 3D situation where visualization is experimentally difficult. As an example of their use, deliquescence (dissolution by moisture absorption) of entrapped NaCl crystals is studied; our results show that the invasion of the resulting salt solution is controlled by the capillary pressure within the porous network. For hydrophilic porous media, the liquid preferentially invades the small pores whereas in a hydrophobic network the large pores are filled. Consequently, after several deliquescence/drying cycles in the hydrophilic system, the salt is transported towards the outside of the porous network via small pores; in hydrophobic micromodels, no salt migration is observed. Numerical simulations based on the characteristics of our single layer pore network agree very well with the experimental results and give more insight into the dynamics of salt transport through porous media.

  14. Charge transferred doping of single layer graphene by mono-dispersed manganese-oxide nanoparticles adsorption

    Science.gov (United States)

    Phan, Thanh Luan; Kang, Myunggoo; Choi, Soo Ho; Kim, You Joong; Jung, Hyun; Yoon, Im Taek; Yang, Woochul

    2017-10-01

    We report an efficient and controllable method to introduce p-type doping in graphene by decoration with Mn3O4 nanoparticles (NPs) on mechanically exfoliated single layer graphene. A monolayer of Mn3O4 NPs, with a diameter in the range of 5-10 nm, was decorated on a graphene film using an ex-situ method, whereas by controlling the coverage of the NPs on the graphene surface, the carrier concentration could be continually adjusted. The p-type of the NP-decorated single layer graphene was confirmed by the Raman G-band. It was found that the carrier concentration could be gradually adjusted up to 26.09 × 1012 cm-2, with 90% coverage of Mn3O4 NPs. The Dirac point of the pristine graphene at the gate bias of 27 V shifted to 150 V for Mn3O4 NP decorated graphene. The p-type graphene doped with Mn3O4 NPs demonstrated significant high air-stability, even under an oxygen atmosphere for 60 days. This approach allows for the opportunity for simple, scalable, and highly stable doping of graphene for future high-performance electronic device applications.

  15. 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.

  16. Gold Dispersion and Activation on the Basal Plane of Single-Layer MoS2

    KAUST Repository

    Merida, Cindy S.

    2017-12-09

    Gold islands are typically associated with high binding affinity to adsorbates and catalytic activity. Here we present the growth of such dispersed nanoscale gold islands on single layer MoS2, prepared on an inert SiO2/Si support by chemical vapor deposition (CVD). This study offers a combination of growth process development, optical characterization, photoelectron spectroscopy at sub-micron spatial resolution, and advanced density functional theory modeling for detailed insight into the electronic interaction between gold and single-layer MoS2. In particular, we find the gold density of states in Au/MoS2/SiO2/Si to be far less well-defined than Au islands on other 2-dimensional materials such as graphene, for which we also provide data. We attribute this effect to the presence of heterogeneous Au adatom/MoS2-support interactions within the nanometer-scale gold cluster. As a consequence, theory predicts that CO will exhibit adsorption energies in excess of 1 eV at the Au cluster edges, where the local density of states is dominated by Au 5dz2 symmetry.

  17. Quality of bull spermatozoa after preparation by single-layer centrifugation.

    Science.gov (United States)

    Goodla, Lavanya; Morrell, Jane M; Yusnizar, Yulnawati; Stålhammar, Hans; Johannisson, Anders

    2014-01-01

    The present study aimed to evaluate the effect of single-layer centrifugation (SLC) through a species-specific colloid (Androcoll-B; patent pending, J. M. Morrell) on bull sperm quality. Computer-assisted sperm analysis of motility and flow cytometric analysis of sperm viability (SYBR-14/propidium iodide staining), chromatin integrity (acridine orange staining), reactive oxygen species production [Hoechst 33258-hydroethidine-2',7'-dichlorodihydrofluorescein diacetate (HO-HE-DCFDA) staining], mitochondrial membrane potential (staining with JC-1 probe), and protein tyrosine phosphorylation (specific antibody staining) were performed on unselected and SLC-selected sperm samples. Single-layer centrifugation of bull spermatozoa resulted in the selection of a sperm population that had high mitochondrial membrane potential, a higher content of phosphorylated protein, and more reactive oxygen species than control samples. Sperm chromatin damage was lower in the SLC samples although sperm viability and motility did not differ between SLC samples and controls. These observations suggest that SLC of bull semen in a soybean-containing extender improved some, but not all, parameters of sperm quality. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  18. Single Layer Nanomaterials: The Chemical Vapor Deposition Synthesis and Atomic Scale Characterization of Hexagonal Boron Nitride and Graphene

    OpenAIRE

    Gibb, Ashley L

    2015-01-01

    The design of novel nanomaterials with tunable geometries and properties has transformed chemistry and physics in recent years. In particular, recent advances in the isolation of two-dimensional films have inspired the exploration and development of stable, self-supporting single layer systems. Most notably graphene, a single layer of hexagonal sp2 carbon, has attracted interest due to intriguing electronic, optical, and mechanical properties. Hexagonal boron nitride (h-BN) is a closely relat...

  19. Magneto-transport in the zero-energy Landau level of single-layer and bilayer graphene

    International Nuclear Information System (INIS)

    Zeitler, U; Giesbers, A J M; Elferen, H J van; Kurganova, E V; McCollam, A; Maan, J C

    2011-01-01

    We present recent low-temperature magnetotransport experiments on single-layer and bilayer graphene in high magnetic field up to 33 T. In single layer graphene the fourfold degeneracy of the zero-energy Landau level is lifted by a gap opening at filling factor ν = 0. In bilayer graphene, we observe a partial lifting of the degeneracy of the eightfold degenerate zero-energy Landau level.

  20. Electronic spin transport and spin precession in single graphene layers at room temperature.

    Science.gov (United States)

    Tombros, Nikolaos; Jozsa, Csaba; Popinciuc, Mihaita; Jonkman, Harry T; van Wees, Bart J

    2007-08-02

    Electronic transport in single or a few layers of graphene is the subject of intense interest at present. The specific band structure of graphene, with its unique valley structure and Dirac neutrality point separating hole states from electron states, has led to the observation of new electronic transport phenomena such as anomalously quantized Hall effects, absence of weak localization and the existence of a minimum conductivity. In addition to dissipative transport, supercurrent transport has also been observed. Graphene might also be a promising material for spintronics and related applications, such as the realization of spin qubits, owing to the low intrinsic spin orbit interaction, as well as the low hyperfine interaction of the electron spins with the carbon nuclei. Here we report the observation of spin transport, as well as Larmor spin precession, over micrometre-scale distances in single graphene layers. The 'non-local' spin valve geometry was used in these experiments, employing four-terminal contact geometries with ferromagnetic cobalt electrodes making contact with the graphene sheet through a thin oxide layer. We observe clear bipolar (changing from positive to negative sign) spin signals that reflect the magnetization direction of all four electrodes, indicating that spin coherence extends underneath all of the contacts. No significant changes in the spin signals occur between 4.2 K, 77 K and room temperature. We extract a spin relaxation length between 1.5 and 2 mum at room temperature, only weakly dependent on charge density. The spin polarization of the ferromagnetic contacts is calculated from the measurements to be around ten per cent.

  1. Single-Layer Plication for Repair of Diastasis Recti: The Most Rapid and Efficient Technique.

    Science.gov (United States)

    Gama, Luiz José Muaccad; Barbosa, Marcus Vinicius Jardini; Czapkowski, Adriano; Ajzen, Sergio; Ferreira, Lydia Masako; Nahas, Fábio Xerfan

    2017-06-01

    Plication of the anterior rectus sheath is the most commonly used technique for repair of diastasis recti, but is also a time-consuming procedure. The aim of this study was to compare the efficacy and time required to repair diastasis recti using different plication techniques. Thirty women with similar abdominal deformities, who had had at least one pregnancy, were randomized into three groups to undergo abdominoplasty. Plication of the anterior rectus sheath was performed in two layers with 2-0 monofilament nylon suture (control group) or in a single layer with either a continuous 2-0 monofilament nylon suture (group I) or using a continuous barbed suture (group II). Operative time was recorded. All patients underwent ultrasound examination preoperatively and at 3 weeks and 6 months postoperatively to monitor for diastasis recurrence. The force required to bring the anterior rectus sheath to the midline was measured at the supraumbilical and infraumbilical levels. Patient age ranged from 26 to 50 years and body mass index from 20.56 to 29.17 kg/m2. A significant difference in mean operative time was found between the control and study groups (control group, 35 min:22 s; group I, 14 min:22 s; group II, 15 min:23 s; P < 0.001). Three patients in group II had recurrence of diastasis. There were no significant within- and between-group differences in tensile force on the aponeurosis. Plication of the anterior rectus sheath in a single-layer with a continuous suture showed to be an efficient and rapid technique for repair of diastasis recti. © 2017 The American Society for Aesthetic Plastic Surgery, Inc. Reprints and permission: journals.permissions@oup.com

  2. Single-Column Model Simulations of Subtropical Marine Boundary-Layer Cloud Transitions Under Weakening Inversions

    Science.gov (United States)

    Neggers, R. A. J.; Ackerman, A. S.; Angevine, W. M.; Bazile, E.; Beau, I.; Blossey, P. N.; Boutle, I. A.; de Bruijn, C.; Cheng, A.; van der Dussen, J.; Fletcher, J.; Dal Gesso, S.; Jam, A.; Kawai, H.; Cheedela, S. K.; Larson, V. E.; Lefebvre, M.-P.; Lock, A. P.; Meyer, N. R.; de Roode, S. R.; de Rooy, W.; Sandu, I.; Xiao, H.; Xu, K.-M.

    2017-10-01

    Results are presented of the GASS/EUCLIPSE single-column model intercomparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pacific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple metrics to establish the model performance. Using this method, some longstanding problems in low-level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure, and the associated impact on radiative transfer. The sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median exhibits the well-known "too few too bright" problem. The boundary-layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular, the vertical structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid parameterization.

  3. Electrochemistry of single molecules and biomolecules, molecular scale nanostructures, and low-dimensional systems

    DEFF Research Database (Denmark)

    Nazmutdinov, Renat R.; Zinkicheva, Tamara T.; Zinkicheva, Tamara T.

    2018-01-01

    Electrochemistry at ultra-small scales, where even the single molecule or biomolecule can be characterized and manipulated, is on the way to a consolidated status. At the same time molecular electrochemistry is expanding into other areas of sophisticated nano- and molecular scale systems including...

  4. Transparent Flash Memory using Single Ta2O5 Layer for both Charge Trapping and Tunneling Dielectrics

    KAUST Repository

    Hota, Mrinal Kanti

    2017-06-08

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta2O5 layer is used simultaneously as charge trapping and tunneling layer. This is different from conventional flash cells, where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ~10 V. Moreover, the flash memory device shows a stable 2-bit memory performance, good reliability, including data retention for more than 104 sec and endurance performance for more than 100 cycles. The use of a common charge trapping and tunneling layer can simplify advanced flash memory fabrication.

  5. Formation of a Molecular Wire Using the Chemically Adsorbed Monomolecular Layer Having Pyrrolyl Groups

    Directory of Open Access Journals (Sweden)

    Kazufumi Ogawa

    2011-01-01

    Full Text Available A molecular wire containing polypyrrolyl conjugate bonds has been prepared by a chemical adsorption technique using 1,1,1-trichloro-12-pyrrolyl-1-siladodecane (PNN and an electrooxidative polymerization technique, and the conductivity of the molecular wire without any dopant has been measured by using AFM/STM at room temperature. When sample dimension measured was about 0.3 nm (thickness of the conductive portion in the PNN monomolecular layer ×100 μm (the average width of an electric path ×2 mm (the distance between Pt positive electrode and the AFM tip covered with Au, the conductivity of the polymerized PNN molecular wire at room temperature was larger than 1.6 × 105 S/cm both in an atmosphere and in a vacuum chamber of 10−5 Torr. The activation energy obtained by Arrhenius' plots was almost zero in the temperature range between 320 and 450 K.

  6. Giant magnetoimpedance effect in sputtered single layered NiFe film and meander NiFe/Cu/NiFe film

    International Nuclear Information System (INIS)

    Chen, L.; Zhou, Y.; Lei, C.; Zhou, Z.M.; Ding, W.

    2010-01-01

    Giant magnetoimpedance (GMI) effect on NiFe thin film is very promising due to its application in developing the magnetic field sensors with highly sensitivity and low cost. In this paper, the single layered NiFe thin film and NiFe/Cu/NiFe thin film with a meander structure are prepared by the MEMS technology. The influences of sputtering parameters, film structure and conductor layer width on GMI effect in NiFe single layer and meander NiFe/Cu/NiFe film are investigated. Maximum of the GMI ratio in single layer and sandwich film is 5% and 64%, respectively. The results obtained are useful for developing the high-performance magnetic sensors based on NiFe thin film.

  7. Trip-Induced Transition Measurements in a Hypersonic Boundary Layer Using Molecular Tagging Velocimetry

    Science.gov (United States)

    Bathel, Brett F.; Danehy, Paul M.; Jones, Stephen B.; Johansen, Craig T.; Goyne, Christopher P.

    2013-01-01

    Measurements of mean streamwise velocity, fluctuating streamwise velocity, and instantaneous streamwise velocity profiles in a hypersonic boundary layer were obtained over a 10-degree half-angle wedge model. A laser-induced fluorescence-based molecular tagging velocimetry technique was used to make the measurements. The nominal edge Mach number was 4.2. Velocity profiles were measured both in an untripped boundary layer and in the wake of a 4-mm diameter cylindrical tripping element centered 75.4 mm downstream of the sharp leading edge. Three different trip heights were investigated: k = 0.53 mm, k = 1.0 mm and k = 2.0 mm. The laminar boundary layer thickness at the position of the measurements was approximately 1 mm, though the exact thickness was dependent on Reynolds number and wall temperature. All of the measurements were made starting from a streamwise location approximately 18 mm downstream of the tripping element. This measurement region continued approximately 30 mm in the streamwise direction. Additionally, measurements were made at several spanwise locations. An analysis of flow features show how the magnitude, spatial location, and spatial growth of streamwise velocity instabilities are affected by parameters such as the ratio of trip height to boundary layer thickness and roughness Reynolds number. The fluctuating component of streamwise velocity measured along the centerline of the model increased from approximately 75 m/s with no trip to +/-225 m/s with a 0.53-mm trip, and to +/-240 m/s with a 1-mm trip, while holding the freestream Reynolds number constant. These measurements were performed in the 31-inch Mach 10 Air Tunnel at the NASA Langley Research Center.

  8. Evaluation of molecular dynamics simulation methods for ionic liquid electric double layers.

    Science.gov (United States)

    Haskins, Justin B; Lawson, John W

    2016-05-14

    We investigate how systematically increasing the accuracy of various molecular dynamics modeling techniques influences the structure and capacitance of ionic liquid electric double layers (EDLs). The techniques probed concern long-range electrostatic interactions, electrode charging (constant charge versus constant potential conditions), and electrolyte polarizability. Our simulations are performed on a quasi-two-dimensional, or slab-like, model capacitor, which is composed of a polarizable ionic liquid electrolyte, [EMIM][BF4], interfaced between two graphite electrodes. To ensure an accurate representation of EDL differential capacitance, we derive new fluctuation formulas that resolve the differential capacitance as a function of electrode charge or electrode potential. The magnitude of differential capacitance shows sensitivity to different long-range electrostatic summation techniques, while the shape of differential capacitance is affected by charging technique and the polarizability of the electrolyte. For long-range summation techniques, errors in magnitude can be mitigated by employing two-dimensional or corrected three dimensional electrostatic summations, which led to electric fields that conform to those of a classical electrostatic parallel plate capacitor. With respect to charging, the changes in shape are a result of ions in the Stern layer (i.e., ions at the electrode surface) having a higher electrostatic affinity to constant potential electrodes than to constant charge electrodes. For electrolyte polarizability, shape changes originate from induced dipoles that soften the interaction of Stern layer ions with the electrode. The softening is traced to ion correlations vertical to the electrode surface that induce dipoles that oppose double layer formation. In general, our analysis indicates an accuracy dependent differential capacitance profile that transitions from the characteristic camel shape with coarser representations to a more diffuse

  9. Imaging and Force Recognition of Single Molecular Behaviors Using Atomic Force Microscopy

    Directory of Open Access Journals (Sweden)

    Mi Li

    2017-01-01

    Full Text Available The advent of atomic force microscopy (AFM has provided a powerful tool for investigating the behaviors of single native biological molecules under physiological conditions. AFM can not only image the conformational changes of single biological molecules at work with sub-nanometer resolution, but also sense the specific interactions of individual molecular pair with piconewton force sensitivity. In the past decade, the performance of AFM has been greatly improved, which makes it widely used in biology to address diverse biomedical issues. Characterizing the behaviors of single molecules by AFM provides considerable novel insights into the underlying mechanisms guiding life activities, contributing much to cell and molecular biology. In this article, we review the recent developments of AFM studies in single-molecule assay. The related techniques involved in AFM single-molecule assay were firstly presented, and then the progress in several aspects (including molecular imaging, molecular mechanics, molecular recognition, and molecular activities on cell surface was summarized. The challenges and future directions were also discussed.

  10. Novel tailor-made externally triggerable single-molecular switches for molecular electronics

    OpenAIRE

    Harzmann, Gero

    2015-01-01

    Molecular electronics marks a highly interdisciplinary scientific field, in which physicists, chemists, and biologist jointly investigate electronic phenomena on a molecular level. Herein, the foremost task of the chemist is the design and synthesis of novel, tailor-made model compounds bearing externally addressable or controllable functions, which are predominantly of electronic nature. This present PhD thesis mainly focusses on the synthetic aspects towards innovative metalorga...

  11. Negative quantum capacitance induced by midgap states in single-layer graphene.

    Science.gov (United States)

    Wang, Lin; Wang, Yang; Chen, Xiaolong; Zhu, Wei; Zhu, Chao; Wu, Zefei; Han, Yu; Zhang, Mingwei; Li, Wei; He, Yuheng; Xiong, Wei; Law, Kam Tuen; Su, Dangsheng; Wang, Ning

    2013-01-01

    We demonstrate that single-layer graphene (SLG) decorated with a high density of Ag adatoms displays the unconventional phenomenon of negative quantum capacitance. The Ag adatoms act as resonant impurities and form nearly dispersionless resonant impurity bands near the charge neutrality point (CNP). Resonant impurities quench the kinetic energy and drive the electrons to the Coulomb energy dominated regime with negative compressibility. In the absence of a magnetic field, negative quantum capacitance is observed near the CNP. In the quantum Hall regime, negative quantum capacitance behavior at several Landau level positions is displayed, which is associated with the quenching of kinetic energy by the formation of Landau levels. The negative quantum capacitance effect near the CNP is further enhanced in the presence of Landau levels due to the magnetic-field-enhanced Coulomb interactions.

  12. Optical Properties and Band Gap of Single- and Few-Layer MoTe2 Crystals

    Science.gov (United States)

    Aslan, Ozgur Burak; Ruppert, Claudia; Heinz, Tony

    2015-03-01

    Single- and few-layer crystals of exfoliated MoTe2 have been characterized spectroscopically by photoluminescence, Raman scattering, and optical absorption measurements. We find that MoTe2 in the monolayer limit displays strong photoluminescence. On the basis of complementary optical absorption results, we conclude that monolayer MoTe2 is a direct-gap semiconductor with an optical band gap of 1.10 eV. This new monolayer material extends the spectral range of atomically thin direct-gap materials from the visible to the near-infrared. Supported by the NSF through Grant DMR-1124894 for sample preparation and characterization by the O?ce of Naval Research for analysis. C.R. acknowledges support from the Alexander von Humboldt Foundation.

  13. Effect of humid-thermal environment on wave dispersion characteristics of single-layered graphene sheets

    Science.gov (United States)

    Ebrahimi, Farzad; Dabbagh, Ali

    2018-04-01

    In the present article, the hygro-thermal wave propagation properties of single-layered graphene sheets (SLGSs) are investigated for the first time employing a nonlocal strain gradient theory. A refined higher-order two-variable plate theory is utilized to derive the kinematic relations of graphene sheets. Here, nonlocal strain gradient theory is used to achieve a more precise analysis of small-scale plates. In the framework of the Hamilton's principle, the final governing equations are developed. Moreover, these obtained equations are deemed to be solved analytically and the wave frequency values are achieved. Some parametric studies are organized to investigate the influence of different variants such as nonlocal parameter, length scale parameter, wave number, temperature gradient and moisture concentration on the wave frequency of graphene sheets.

  14. Large theoretical thermoelectric power factor of suspended single-layer MoS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Babaei, Hasan, E-mail: babaei@illinois.edu, E-mail: babaei@auburn.edu [Mechanical Science and Engineering Department, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-2906 (United States); Mechanical Engineering Department, Auburn University, Auburn, Alabama 36849-5341 (United States); Khodadadi, J. M. [Mechanical Engineering Department, Auburn University, Auburn, Alabama 36849-5341 (United States); Sinha, Sanjiv [Mechanical Science and Engineering Department, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801-2906 (United States)

    2014-11-10

    We have calculated the semi-classical thermoelectric power factor of suspended single-layer (SL)- MoS{sub 2} utilizing electron relaxation times derived from ab initio calculations. Measurements of the thermoelectric power factor of SL-MoS{sub 2} on substrates reveal poor power factors. In contrast, we find the thermoelectric power factor of suspended SL-MoS{sub 2} to peak at ∼2.8 × 10{sup 4} μW/m K{sup 2} at 300 K, at an electron concentration of 10{sup 12} cm{sup −2}. This figure is higher than that in bulk Bi{sub 2}Te{sub 3}, for example. Given its relatively high thermal conductivity, suspended SL-MoS{sub 2} may hold promise for in-plane thin-film Peltier coolers, provided reasonable mobilities can be realized.

  15. Moisture barrier properties of single-layer graphene deposited on Cu films for Cu metallization

    Science.gov (United States)

    Gomasang, Ploybussara; Abe, Takumi; Kawahara, Kenji; Wasai, Yoko; Nabatova-Gabain, Nataliya; Thanh Cuong, Nguyen; Ago, Hiroki; Okada, Susumu; Ueno, Kazuyoshi

    2018-04-01

    The moisture barrier properties of large-grain single-layer graphene (SLG) deposited on a Cu(111)/sapphire substrate are demonstrated by comparing with the bare Cu(111) surface under an accelerated degradation test (ADT) at 85 °C and 85% relative humidity (RH) for various durations. The change in surface color and the formation of Cu oxide are investigated by optical microscopy (OM) and X-ray photoelectron spectroscopy (XPS), respectively. First-principle simulation is performed to understand the mechanisms underlying the barrier properties of SLG against O diffusion. The correlation between Cu oxide thickness and SLG quality are also analyzed by spectroscopic ellipsometry (SE) measured on a non-uniform SLG film. SLG with large grains shows high performance in preventing the Cu oxidation due to moisture during ADT.

  16. Probing Critical Point Energies of Transition Metal Dichalcogenides: Surprising Indirect Gap of Single Layer WSe 2

    KAUST Repository

    Zhang, Chendong

    2015-09-21

    By using a comprehensive form of scanning tunneling spectroscopy, we have revealed detailed quasi-particle electronic structures in transition metal dichalcogenides, including the quasi-particle gaps, critical point energy locations, and their origins in the Brillouin zones. We show that single layer WSe surprisingly has an indirect quasi-particle gap with the conduction band minimum located at the Q-point (instead of K), albeit the two states are nearly degenerate. We have further observed rich quasi-particle electronic structures of transition metal dichalcogenides as a function of atomic structures and spin-orbit couplings. Such a local probe for detailed electronic structures in conduction and valence bands will be ideal to investigate how electronic structures of transition metal dichalcogenides are influenced by variations of local environment.

  17. Polarized dependence of nonlinear susceptibility in a single layer graphene system in infrared region

    Energy Technology Data Exchange (ETDEWEB)

    Solookinejad, G., E-mail: ghsolooki@gmail.com

    2016-09-15

    In this study, the linear and nonlinear susceptibility of a single-layer graphene nanostructure driven by a weak probe light and an elliptical polarized coupling field is discussed theoretically. The Landau levels of graphene can be separated in infrared or terahertz regions under the strong magnetic field. Therefore, by using the density matrix formalism in quantum optic, the linear and nonlinear susceptibility of the medium can be derived. It is demonstrated that by adjusting the elliptical parameter, one can manipulate the linear and nonlinear absorption as well as Kerr nonlinearity of the medium. It is realized that the enhanced Kerr nonlinearity can be possible with zero linear absorption and nonlinear amplification at some values of elliptical parameter. Our results may be having potential applications in quantum information science based on Nano scales devices.

  18. Effect of quenched disorder on charge-orbital-spin ordering in single-layer manganites

    International Nuclear Information System (INIS)

    Uchida, Masaya; Mathieu, Roland; He, Jinping; Kaneko, Yoshio; Tokura, Yoshinori; Asamitsu, Atsushi; Kumai, Reiji; Tomioka, Yasuhide; Matsui, Yoshio

    2006-01-01

    Structural and magnetic properties have been investigated for half-doped single-layer manganites RE 0.5 Sr 1.5 MnO 4 [RE=La, (La, Pr), Pr, Nd, Sm, and Eu]. Analyses of electron diffraction and ac susceptibility measurements have revealed that the long-range charge-orbital ordering (CO-OO) state as observed in La 0.5 Sr 1.5 MnO 4 is suppressed for the other materials: the CO-OO transition temperature, as well as the correlation length decreases with a decrease in the cation size of RE. Such a short-range CO-OO state shows a spin-glass behavior at low temperatures. A new electronic phase diagram is established with quenched disorder as the control parameter. (author)

  19. Biomimetic plasmonic color generated by the single-layer coaxial honeycomb nanostructure arrays

    Science.gov (United States)

    Zhao, Jiancun; Gao, Bo; Li, Haoyong; Yu, Xiaochang; Yang, Xiaoming; Yu, Yiting

    2017-07-01

    We proposed a periodic coaxial honeycomb nanostructure array patterned in a silver film to realize the plasmonic structural color, which was inspired from natural honeybee hives. The spectral characteristics of the structure with variant geometrical parameters are investigated by employing a finite-difference time-domain method, and the corresponding colors are thus derived by calculating XYZ tristimulus values corresponding with the transmission spectra. The study demonstrates that the suggested structure with only a single layer has high transmission, narrow full-width at half-maximum, and wide color tunability by changing geometrical parameters. Therefore, the plasmonic colors realized possess a high color brightness, saturation, as well as a wide color gamut. In addition, the strong polarization independence makes it more attractive for practical applications. These results indicate that the recommended color-generating plasmonic structure has various potential applications in highly integrated optoelectronic devices, such as color filters and high-definition displays.

  20. Large theoretical thermoelectric power factor of suspended single-layer MoS2

    International Nuclear Information System (INIS)

    Babaei, Hasan; Khodadadi, J. M.; Sinha, Sanjiv

    2014-01-01

    We have calculated the semi-classical thermoelectric power factor of suspended single-layer (SL)- MoS 2 utilizing electron relaxation times derived from ab initio calculations. Measurements of the thermoelectric power factor of SL-MoS 2 on substrates reveal poor power factors. In contrast, we find the thermoelectric power factor of suspended SL-MoS 2 to peak at ∼2.8 × 10 4 μW/m K 2 at 300 K, at an electron concentration of 10 12 cm −2 . This figure is higher than that in bulk Bi 2 Te 3 , for example. Given its relatively high thermal conductivity, suspended SL-MoS 2 may hold promise for in-plane thin-film Peltier coolers, provided reasonable mobilities can be realized

  1. Field electron emission characteristics and physical mechanism of individual single-layer graphene.

    Science.gov (United States)

    Xiao, Zhiming; She, Juncong; Deng, Shaozhi; Tang, Zikang; Li, Zhibing; Lu, Jianming; Xu, Ningsheng

    2010-11-23

    Due to its difficulty, experimental measurement of field emission from a single-layer graphene has not been reported, although field emission from a two-dimensional (2D) regime has been an attractive topic. The open surface and sharp edge of graphene are beneficial for field electron emission. A 2D geometrical effect, such as massless Dirac fermion, can lead to new mechanisms in field emission. Here, we report our findings from in situ field electron emission characterization on an individual singe-layer graphene and the understanding of the related mechanism. The measurement of field emission from the edges was done using a microanode probe equipped in a scanning electron microscope. We show that repeatable stable field emission current can be obtained after a careful conditioning process. This enables us to examine experimentally the typical features of the field emission from a 2D regime. We plot current versus applied field data, respectively, in ln(I/E(3/2)) ∼ 1/E and ln(I/E(3)) ∼ 1/E(2) coordinates, which have recently been proposed for field emission from graphene in high- and low-field regimes. It is observed that the plots all exhibit an upward bending feature, revealing that the field emission processes undergo from a low- to high-field transition. We discuss with theoretical analysis the physical mechanism responsible for the new phenomena.

  2. Single Layer Bismuth Iodide: Computational Exploration of Structural, Electrical, Mechanical and Optical Properties

    Science.gov (United States)

    Ma, Fengxian; Zhou, Mei; Jiao, Yalong; Gao, Guoping; Gu, Yuantong; Bilic, Ante; Chen, Zhongfang; Du, Aijun

    2015-12-01

    Layered graphitic materials exhibit new intriguing electronic structure and the search for new types of two-dimensional (2D) monolayer is of importance for the fabrication of next generation miniature electronic and optoelectronic devices. By means of density functional theory (DFT) computations, we investigated in detail the structural, electronic, mechanical and optical properties of the single-layer bismuth iodide (BiI3) nanosheet. Monolayer BiI3 is dynamically stable as confirmed by the computed phonon spectrum. The cleavage energy (Ecl) and interlayer coupling strength of bulk BiI3 are comparable to the experimental values of graphite, which indicates that the exfoliation of BiI3 is highly feasible. The obtained stress-strain curve shows that the BiI3 nanosheet is a brittle material with a breaking strain of 13%. The BiI3 monolayer has an indirect band gap of 1.57 eV with spin orbit coupling (SOC), indicating its potential application for solar cells. Furthermore, the band gap of BiI3 monolayer can be modulated by biaxial strain. Most interestingly, interfacing electrically active graphene with monolayer BiI3 nanosheet leads to enhanced light absorption compared to that in pure monolayer BiI3 nanosheet, highlighting its great potential applications in photonics and photovoltaic solar cells.

  3. 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).

  4. Engineering of electronic properties of single layer graphene by swift heavy ion irradiation

    Science.gov (United States)

    Kumar, Sunil; Kumar, Ashish; Tripathi, Ambuj; Tyagi, Chetna; Avasthi, D. K.

    2018-04-01

    In this work, swift heavy ion irradiation induced effects on the electrical properties of single layer graphene are reported. The modulation in minimum conductivity point in graphene with in-situ electrical measurement during ion irradiation was studied. It is found that the resistance of graphene layer decreases at lower fluences up to 3 × 1011 ions/cm2, which is accompanied by the five-fold increase in electron and hole mobilities. The ion irradiation induced increase in electron and hole mobilities at lower fluence up to 1 × 1011 ions/cm2 is verified by separate Hall measurements on another irradiated graphene sample at the selected fluence. In contrast to the adverse effects of irradiation on the electrical properties of materials, we have found improvement in electrical mobility after irradiation. The increment in mobility is explained by considering the defect annealing in graphene after irradiation at a lower fluence regime. The modification in carrier density after irradiation is also observed. Based on findings of the present work, we suggest ion beam irradiation as a useful tool for tuning of the electrical properties of graphene.

  5. Microcavity single virus detection and sizing with molecular sensitivity

    Science.gov (United States)

    Dantham, V. R.; Holler, S.; Kolchenko, V.; Wan, Z.; Arnold, S.

    2013-02-01

    We report the label-free detection and sizing of the smallest individual RNA virus, MS2 by a spherical microcavity. Mass of this virus is ~6 ag and produces a theoretical resonance shift ~0.25 fm upon adsorbing an individual virus at the equator of the bare microcavity, which is well below the r.m.s background noise of 2 fm. However, detection was accomplished with ease (S/N = 8, Q = 4x105) using a single dipole stimulated plasmonic-nanoshell as a microcavity wavelength shift enhancer. Analytical expressions based on the "reactive sensing principle" are developed to extract the radius of the virus from the measured signals. Estimated limit of detection for these experiments was ~0.4 ag or 240 kDa below the size of all known viruses, largest globular and elongated proteins [Phosphofructokinase (345 kDa) and Fibrinogen (390 kDa), respectively].

  6. Single-cell technologies in molecular marine studies

    KAUST Repository

    Kodzius, Rimantas

    2015-01-24

    Middle Eastern countries are experiencing a renaissance, with heavy investment in both in infrastructure and science. King Abdullah University of Science and Technology (KAUST) is a new and modern university in Saudi Arabia. At the Computational Bioscience Research Center (CBRC) we are working on exploring the Red Sea and beyond, collaborating with Japanese and other research centers. We are using the environment to collect and analyze the microorganisms present. The platform being established at CBRC allows to process samples in a pipeline. The pipeline components consist of sample collection, processing and sequencing, following the in silico analysis, determining the gene functions, identifying the organisms. The genomes of microorganisms of interest are targeted modified by genome editing technology such as CRISPR and desired properties are selected by single cell instrumentation. The final output is to identify valuable microorganisms with production of bio-energy, nutrients, the food and fine chemicals.

  7. Replacement of asymmetric synaptic profiles in the molecular layer of dentate gyrus following cycloheximide in the pilocarpine model in rats.

    Directory of Open Access Journals (Sweden)

    Simone eBittencourt

    2015-11-01

    Full Text Available Mossy fiber sprouting is among the best-studied forms of post-lesional synaptic plasticity and is regarded by many as contributory to seizures in both humans and animal models of epilepsy. It is not known whether mossy fiber sprouting increases the number of synapses in the molecular layer or merely replaces lost contacts. Using the pilocarpine model of status epilepticus to induce mossy fiber sprouting, and cycloheximide to block this sprouting, we evaluated at the ultrastructural level the number and type of asymmetric synaptic contacts in the molecular layer of the dentate gyrus. As expected, whereas pilocarpine-treated rats had dense silver grain deposits in the inner molecular layer (reflecting mossy fiber sprouting, pilocarpine+cycloheximide-treated animals did not differ from controls. Both groups of treated rats (Pilo group and CHX+Pilo group had reduced density of asymmetric synaptic profiles (putative excitatory synaptic contacts, which was greater for cycloheximide-treated animals. For both treated groups the loss of excitatory synaptic contacts was even greater in the outer molecular layer than in the best studied inner molecular layer (in which mossy fiber sprouting occurs. These results indicate that mossy fiber sprouting tends to replace lost synaptic contacts rather than increase the absolute number of contacts. We speculate that the overall result is more consistent with restored rather than with increased excitability.

  8. Density functional theory study of chemical sensing on surfaces of single-layer MoS2 and graphene

    International Nuclear Information System (INIS)

    Mehmood, F.; Pachter, R.

    2014-01-01

    In this work, density functional theory (DFT) calculations have been used to investigate chemical sensing on surfaces of single-layer MoS 2 and graphene, considering the adsorption of the chemical compounds triethylamine, acetone, tetrahydrofuran, methanol, 2,4,6-trinitrotoluene, o-nitrotoluene, o-dichlorobenzene, and 1,5-dicholoropentane. Physisorption of the adsorbates on free-standing surfaces was analyzed in detail for optimized material structures, considering various possible adsorption sites. Similar adsorption characteristics for the two surface types were demonstrated, where inclusion of a correction to the DFT functional for London dispersion was shown to be important to capture interactions at the interface of molecular adsorbate and surface. Charge transfer analyses for adsorbed free-standing surfaces generally demonstrated very small effects. However, charge transfer upon inclusion of the underlying SiO 2 substrate rationalized experimental observations for some of the adsorbates considered. A larger intrinsic response for the electron-donor triethylamine adsorbed on MoS 2 as compared to graphene was demonstrated, which may assist in devising chemical sensors for improved sensitivity

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

    Science.gov (United States)

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

    2016-01-01

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

  10. Molecular Simulations of Graphene-Based Electric Double-Layer Capacitors

    Science.gov (United States)

    Kalluri, Raja K.; Konatham, Deepthi; Striolo, Alberto

    2011-03-01

    Towards deploying renewable energy sources it is crucial to develop efficient and cost-effective technologies to store electricity. Traditional batteries are plagued by a number of practical problems that at present limit their widespread applicability. One possible solution is represented by electric double-layer capacitors (EDLCs). To deploy EDLCs at the large scale it is necessary to better understand how electrolytes pack and diffuse within narrow charged pores. We present here simulation results for the concentrated aqueous solutions of NaCl, CsCl, and NaI confined within charged graphene-based porous materials. We discuss how the structure of confined water, the salt concentration, the ions size, and the surface charge density determine the accumulation of electrolytes within the porous network. Our results, compared to data available for bulk systems, are critical for relating macroscopic observations to molecular-level properties of the confined working fluids. Research supported by the Department of Energy.

  11. Alveolar ridge preservation with an open-healing approach using single-layer or double-layer coverage with collagen membranes.

    Science.gov (United States)

    Choi, Ho-Keun; Cho, Hag-Yeon; Lee, Sung-Jo; Cho, In-Woo; Shin, Hyun-Seung; Koo, Ki-Tae; Lim, Hyun-Chang; Park, Jung-Chul

    2017-12-01

    The aim of this prospective pilot study was to compare alveolar ridge preservation (ARP) procedures with open-healing approach using a single-layer and a double-layer coverage with collagen membranes using radiographic and clinical analyses. Eleven molars from 9 healthy patients requiring extraction of the maxillary or mandibular posterior teeth were included and allocated into 2 groups. After tooth extraction, deproteinized bovine bone mineral mixed with 10% collagen was grafted into the socket and covered either with a double-layer of resorbable non-cross-linked collagen membranes (DL group, n=6) or with a single-layer (SL group, n=5). Primary closure was not obtained. Cone-beam computed tomography images were taken immediately after the ARP procedure and after a healing period of 4 months before implant placement. Radiographic measurements were made of the width and height changes of the alveolar ridge. All sites healed without any complications, and dental implants were placed at all operated sites with acceptable initial stability. The measurements showed that the reductions in width at the level 1 mm apical from the alveolar crest (including the bone graft) were -1.7±0.5 mm in the SL group and -1.8±0.4 mm in the DL group, and the horizontal changes in the other areas were also similar in the DL and SL groups. The reductions in height were also comparable between groups. Within the limitations of this study, single-layer and double-layer coverage with collagen membranes after ARP failed to show substantial differences in the preservation of horizontal or vertical dimensions or in clinical healing. Thus, both approaches seem to be suitable for open-healing ridge preservation procedures.

  12. Comparative study of hand sewn single layer anastomosis of dog's bowel Estudo comparativo das anastomoses manuais em plano único do intestino delgado de cães

    OpenAIRE

    João Luiz Moreira Coutinho Azevedo; Octávio Hypólito; Otávio Cansanção Azevedo; Otávio Monteiro Becker Jr.; Dalmer Faria Freire

    2008-01-01

    BACKGROUND: Two-layer intestinal anastomosis increases the inflammatory response while single-layer anastomosis results in a better wound healing. However the four main kinds of stitches which may be chosen in performing single layer intestinal sutures never before had been comparatively studied. AIM: To compare the four more commonly used types of single layer surgical anastomosis sutures of the digestive tract. METHODS: Six mongrel dogs were operated, each one receiving two anastomosis: one...

  13. A single-layer, planar, optofluidic Mach–Zehnder interferometer for label-free detection†

    Science.gov (United States)

    Lapsley, Michael Ian; Chiang, I.-Kao; Zheng, Yue Bing; Ding, Xiaoyun; Mao, Xiaole

    2014-01-01

    We have developed a planar, optofluidic Mach–Zehnder interferometer for the label-free detection of liquid samples. In contrast to most on-chip interferometers which require complex fabrication, our design was realized via a simple, single-layer soft lithography fabrication process. In addition, a single-wavelength laser source and a silicon photodetector were the only optical equipment used for data collection. The device was calibrated using published data for the refractive index of calcium chloride (CaCl2) in solution, and the biosensing capabilities of the device were tested by detecting bovine serum albumin (BSA). Our design enables a refractometer with a low limit of detection (1.24 × 10−4 refractive index units (RIU)), low variability (1 × 10−4 RIU), and high sensitivity (927.88 oscillations per RIU). This performance is comparable to state-of-the-art optofluidic refractometers that involve complex fabrication processes and/or expensive, bulky optics. The advantages of our device (i.e. simple fabrication process, straightforward optical equipment, low cost, and high detection sensitivity) make it a promising candidate for future mass-producible, inexpensive, highly sensitive, label-free optical detection systems. PMID:21479332

  14. A single-layer, planar, optofluidic Mach-Zehnder interferometer for label-free detection.

    Science.gov (United States)

    Lapsley, Michael Ian; Chiang, I-Kao; Zheng, Yue Bing; Ding, Xiaoyun; Mao, Xiaole; Huang, Tony Jun

    2011-05-21

    We have developed a planar, optofluidic Mach-Zehnder interferometer for the label-free detection of liquid samples. In contrast to most on-chip interferometers which require complex fabrication, our design was realized via a simple, single-layer soft lithography fabrication process. In addition, a single-wavelength laser source and a silicon photodetector were the only optical equipment used for data collection. The device was calibrated using published data for the refractive index of calcium chloride (CaCl(2)) in solution, and the biosensing capabilities of the device were tested by detecting bovine serum albumin (BSA). Our design enables a refractometer with a low limit of detection (1.24 × 10(-4) refractive index units (RIU)), low variability (1 × 10(-4) RIU), and high sensitivity (927.88 oscillations per RIU). This performance is comparable to state-of-the-art optofluidic refractometers that involve complex fabrication processes and/or expensive, bulky optics. The advantages of our device (i.e. simple fabrication process, straightforward optical equipment, low cost, and high detection sensitivity) make it a promising candidate for future mass-producible, inexpensive, highly sensitive, label-free optical detection systems. © The Royal Society of Chemistry 2011

  15. Adhesion and migration of CHO cells on micropatterned single layer graphene

    Science.gov (United States)

    Keshavan, S.; Oropesa-Nuñez, R.; Diaspro, A.; Canale, C.; Dante, S.

    2017-06-01

    Cell patterning technology on single layer graphene (SLG) is a fairly new field that can find applications in tissue engineering and biomaterial/biosensors development. Recently, we have developed a simple and effective approach for the fabrication of patterned SLG substrates by laser micromachining, and we have successfully applied it for the obtainment of geometrically ordered neural networks. Here, we exploit the same approach to investigate the generalization of the cell response to the surface cues of the fabricated substrates and, contextually, to quantify cell adhesion on the different areas of the patterns. To attain this goal, we tested Chinese hamster ovary (CHO) cells on PDL-coated micropatterned SLG substrates and quantified the adhesion by using single cell force spectroscopy (SCFS). Our results indicate higher cell adhesion on PDL-SLG, and, consequently, an initial CHO cell accumulation on the graphene areas, confirming the neuronal behaviour observed previously; interestingly, at later time point in culture, cell migration was observed towards the adjacent SLG ablated regions, which resulted more favourable for cell proliferation. Therefore, our findings indicate that the mechanism of interaction with the surface cues offered by the micropatterned substrates is strictly cell-type dependent.

  16. Nonequilibrium excitation of internal molecular degrees of freedom in the shock layer during hypersonic flight

    Science.gov (United States)

    Doroshenko, V. M.; Kudriavtsev, N. N.; Smetanin, V. V.

    1992-09-01

    A kinetic scheme of processes including the formation and quenching of electronically and vibrationally excited particles is proposed for the shock layer adjacent to the surface of a body flying at hypersonic speed. We present results of a numerical calculations for the stagnation point obtained under the thin viscous shock layer approximation for space shuttle flight conditions. We show that the release of atom recombination energy into the internal molecular degrees of freedom and the finite rate of relaxation reduce the calculated heat flux by 20 percent. Proceedings of the 29th International Conference on the Applications of the Mössbauer Effect (ICAME 2007) held in Kanpur, India, 14-19 October 2007, PART IV/VII 30 2008 11 19 2008 11 18 2008 7 2008 Springer Science+Business Media B.V. 2008 9832 10.1007/s10751-008-9832-4 24 Mössbauer study of [Fe(Dioximato) n L2] mixed coordination compounds 159 165 2008 9 17 2008 11 1

  17. Breakthrough to Non-Vacuum Deposition of Single-Crystal, Ultra-Thin, Homogeneous Nanoparticle Layers: A Better Alternative to Chemical Bath Deposition and Atomic Layer Deposition

    Directory of Open Access Journals (Sweden)

    Yu-Kuang Liao

    2017-04-01

    Full Text Available Most thin-film techniques require a multiple vacuum process, and cannot produce high-coverage continuous thin films with the thickness of a few nanometers on rough surfaces. We present a new ”paradigm shift” non-vacuum process to deposit high-quality, ultra-thin, single-crystal layers of coalesced sulfide nanoparticles (NPs with controllable thickness down to a few nanometers, based on thermal decomposition. This provides high-coverage, homogeneous thickness, and large-area deposition over a rough surface, with little material loss or liquid chemical waste, and deposition rates of 10 nm/min. This technique can potentially replace conventional thin-film deposition methods, such as atomic layer deposition (ALD and chemical bath deposition (CBD as used by the Cu(In,GaSe2 (CIGS thin-film solar cell industry for decades. We demonstrate 32% improvement of CIGS thin-film solar cell efficiency in comparison to reference devices prepared by conventional CBD deposition method by depositing the ZnS NPs buffer layer using the new process. The new ZnS NPs layer allows reduction of an intrinsic ZnO layer, which can lead to severe shunt leakage in case of a CBD buffer layer. This leads to a 65% relative efficiency increase.

  18. Breakthrough to Non-Vacuum Deposition of Single-Crystal, Ultra-Thin, Homogeneous Nanoparticle Layers: A Better Alternative to Chemical Bath Deposition and Atomic Layer Deposition.

    Science.gov (United States)

    Liao, Yu-Kuang; Liu, Yung-Tsung; Hsieh, Dan-Hua; Shen, Tien-Lin; Hsieh, Ming-Yang; Tzou, An-Jye; Chen, Shih-Chen; Tsai, Yu-Lin; Lin, Wei-Sheng; Chan, Sheng-Wen; Shen, Yen-Ping; Cheng, Shun-Jen; Chen, Chyong-Hua; Wu, Kaung-Hsiung; Chen, Hao-Ming; Kuo, Shou-Yi; Charlton, Martin D B; Hsieh, Tung-Po; Kuo, Hao-Chung

    2017-04-06

    Most thin-film techniques require a multiple vacuum process, and cannot produce high-coverage continuous thin films with the thickness of a few nanometers on rough surfaces. We present a new "paradigm shift" non-vacuum process to deposit high-quality, ultra-thin, single-crystal layers of coalesced sulfide nanoparticles (NPs) with controllable thickness down to a few nanometers, based on thermal decomposition. This provides high-coverage, homogeneous thickness, and large-area deposition over a rough surface, with little material loss or liquid chemical waste, and deposition rates of 10 nm/min. This technique can potentially replace conventional thin-film deposition methods, such as atomic layer deposition (ALD) and chemical bath deposition (CBD) as used by the Cu(In,Ga)Se₂ (CIGS) thin-film solar cell industry for decades. We demonstrate 32% improvement of CIGS thin-film solar cell efficiency in comparison to reference devices prepared by conventional CBD deposition method by depositing the ZnS NPs buffer layer using the new process. The new ZnS NPs layer allows reduction of an intrinsic ZnO layer, which can lead to severe shunt leakage in case of a CBD buffer layer. This leads to a 65% relative efficiency increase.

  19. PropBase Query Layer: a single portal to UK subsurface physical property databases

    Science.gov (United States)

    Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

    2013-04-01

    Until recently, the delivery of geological information for industry and public was achieved by geological mapping. Now pervasively available computers mean that 3D geological models can deliver realistic representations of the geometric location of geological units, represented as shells or volumes. The next phase of this process is to populate these with physical properties data that describe subsurface heterogeneity and its associated uncertainty. Achieving this requires capture and serving of physical, hydrological and other property information from diverse sources to populate these models. The British Geological Survey (BGS) holds large volumes of subsurface property data, derived both from their own research data collection and also other, often commercially derived data sources. This can be voxelated to incorporate this data into the models to demonstrate property variation within the subsurface geometry. All property data held by BGS has for many years been stored in relational databases to ensure their long-term continuity. However these have, by necessity, complex structures; each database contains positional reference data and model information, and also metadata such as sample identification information and attributes that define the source and processing. Whilst this is critical to assessing these analyses, it also hugely complicates the understanding of variability of the property under assessment and requires multiple queries to study related datasets making extracting physical properties from these databases difficult. Therefore the PropBase Query Layer has been created to allow simplified aggregation and extraction of all related data and its presentation of complex data in simple, mostly denormalized, tables which combine information from multiple databases into a single system. The structure from each relational database is denormalized in a generalised structure, so that each dataset can be viewed together in a common format using a simple

  20. Molecular studies of Cs adsorption sites in inorganic layered materials: the influence of solution concentration.

    Science.gov (United States)

    Sato, Kiminori; Hunger, Michael

    2017-07-19

    Radioactive Cs released into a soil environment migrates along with groundwater in a manner dependent on Cs concentration. Data on the variation of Cs adsorption as a function of solution concentration are an essential prerequisite to successful decontamination work in Fukushima. To aid the ongoing decontamination work, the adsorption of Cs in aqueous solution across a wide Cs + molarity range is studied for the case of saponite clay as adsorbent, an inorganic layered material that is an abundant mineral in the soil environment. The local molecular structures, i.e. nanosheet surfaces, nanosheet edges, and oncoming hexagonal cavities, participating in Cs adsorption are qualitatively highlighted by means of a recently developed analytical method using data from a conventional elution test, 133 Cs magic-angle-spinning nuclear magnetic resonance (MAS NMR), and the radiocesium interception potential (RIP) [K. Sato, et al., J. Phys. Chem. C, 2016, 120, 1270]. The concentrations of nanosheet edges amount to between 100 and 400 mmol kg -1 , which are not substantially different from those of the nanosheet surfaces, generally regarded as the main decontamination sites. This unambiguously implies that the nanosheet edges should be targeted as the molecular sites for decontaminating radioactive Cs, in addition to the nanosheet surfaces.

  1. Dependence of the structure of ion-modified NiTi single crystal layers on the orientation of irradiated surface

    Science.gov (United States)

    Poletika, T. M.; Meisner, L. L.; Girsova, S. L.; Tverdokhlebova, A. V.; Meisner, S. N.

    2017-07-01

    The composition and structure of Si layers implanted into titanium nickelide single crystals with different orientations relative to the ion beam propagation direction have been studied using Auger electron spectroscopy and transmission electron microscopy. The role of the "soft" [111]B2 and "hard" [001]B2 NiTi orientations in the formation of the structure of ion-modified surface layer, as well as the defect structure of the surface layers of the single crystals, has been revealed. Orientation effects of selective sputtering and channeling of ions, which control the composition and thickness of the oxide and amorphous layers being formed, ion and impurity penetration depth, as well as the concentration profile of the Ni distribution over the surface, have been detected.

  2. Remote N2 plasma treatment to deposit ultrathin high-k dielectric as tunneling contact layer for single-layer MoS2 MOSFET

    Science.gov (United States)

    Qian, Qingkai; Zhang, Zhaofu; Hua, Mengyuan; Wei, Jin; Lei, Jiacheng; Chen, Kevin J.

    2017-12-01

    Remote N2 plasma treatment is explored as a surface functionalization technique to deposit ultrathin high-k dielectric on single-layer MoS2. The ultrathin dielectric is used as a tunneling contact layer, which also serves as an interfacial layer below the gate region for fabricating top-gate MoS2 metal–oxide–semiconductor field-effect transistors (MOSFETs). The fabricated devices exhibited small hysteresis and mobility as high as 14 cm2·V‑1·s‑1. The contact resistance was significantly reduced, which resulted in the increase of drain current from 20 to 56 µA/µm. The contact resistance reduction can be attributed to the alleviated metal–MoS2 interface reaction and the preserved conductivity of MoS2 below the source/drain metal contact.

  3. Transparent Flash Memory Using Single Ta2O5Layer for Both Charge-Trapping and Tunneling Dielectrics.

    Science.gov (United States)

    Hota, Mrinal K; Alshammari, Fwzah H; Salama, Khaled N; Alshareef, Husam N

    2017-07-05

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta 2 O 5 layer is used simultaneously as a charge-trapping layer and a tunneling layer. This is different from conventional flash memory cells where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ∼10.7 V. Moreover, the flash memory device shows a stable 2-bit memory performance and good reliability, including data retention for more than 10 4 s and endurance performance for more than 100 cycles. The use of a common charge-trapping and tunneling layer can simplify the fabrication of advanced flash memories.

  4. Controlling single and few-layer graphene crystals growth in a solid carbon source based chemical vapor deposition

    International Nuclear Information System (INIS)

    Papon, Remi; Sharma, Subash; Shinde, Sachin M.; Vishwakarma, Riteshkumar; Tanemura, Masaki; Kalita, Golap

    2014-01-01

    Here, we reveal the growth process of single and few-layer graphene crystals in the solid carbon source based chemical vapor deposition (CVD) technique. Nucleation and growth of graphene crystals on a polycrystalline Cu foil are significantly affected by the injection of carbon atoms with pyrolysis rate of the carbon source. We observe micron length ribbons like growth front as well as saturated growth edges of graphene crystals depending on growth conditions. Controlling the pyrolysis rate of carbon source, monolayer and few-layer crystals and corresponding continuous films are obtained. In a controlled process, we observed growth of large monolayer graphene crystals, which interconnect and merge together to form a continuous film. On the other hand, adlayer growth is observed with an increased pyrolysis rate, resulting few-layer graphene crystal structure and merged continuous film. The understanding of monolayer and few-layer crystals growth in the developed CVD process can be significant to grow graphene with controlled layer numbers.

  5. Surface-enhanced Raman scattering from a single molecularly bridged silver nanoparticle aggregate

    Czech Academy of Sciences Publication Activity Database

    Sládková, M.; Vlčková, B.; Pavel, I.; Šišková, Karolína; Šlouf, Miroslav

    924-26, SI (2009), s. 567-570 ISSN 0022-2860. [European Congress on Molecular Spectroscopy /29./. Opatija, 31.08.2008-05.09.2008] R&D Projects: GA ČR GA203/07/0717; GA AV ČR KAN100500652 Institutional research plan: CEZ:AV0Z40500505 Keywords : single molecule SERS * 4,4"-diaminoterphenyl * molecularly bridget Ag nanoparticle aggregates Subject RIV: CD - Macromolecular Chemistry Impact factor: 1.551, year: 2009

  6. Gigantic swelling of inorganic layered materials: a bridge to molecularly thin two-dimensional nanosheets.

    Science.gov (United States)

    Geng, Fengxia; Ma, Renzhi; Ebina, Yasuo; Yamauchi, Yusuke; Miyamoto, Nobuyoshi; Sasaki, Takayoshi

    2014-04-09

    Platy microcrystals of a typical layered material, protonated titanate, have been shown to undergo an enormous degree of swelling in aqueous solutions of various amines, including tertiary amines, quaternary ammonium hydroxides, and primary amines. Introducing these solutions expanded the crystal gallery height by up to ~100-fold. Through systematic analysis, we determined that ammonium ion intercalation is predominantly affected by the acid-base equilibrium and that the degree of swelling or inflow of H2O is controlled by the osmotic pressure balance between the gallery and the solution environment, both of which are relatively independent of electrolyte identity but substantially dependent on molarity. In solutions of tertiary amines and quaternary ammonium hydroxides, the uptake of ammonium ions increases nearly linearly with increasing external concentration before reaching a saturation plateau, i.e., ~40% relative to the cation-exchange capacity of the crystals used. The only exception is tetrabutylammonium ions, which yield a lower saturation value, ~30%, owing to steric effects. The swelling behaviors in some primary amine solutions differ as a result of the effect of attractive forces between amine solute molecules on the solution osmotic pressure. Although the swelling is essentially colligative in nature, the stability of the resultant swollen structure is heavily dependent on the chemical nature of the guest ions. Intercalated ions of higher polarity and smaller size help stabilize the swollen structure, whereas ions of lower polarity and larger size lead readily to exfoliation. The insight gained from this study sheds new light on both the incorporation of guest molecules into a gallery of layered structures in general and the exfoliation of materials into elementary single-layer nanosheets.

  7. Single layer and multilayer wear resistant coatings of (Ti,Al)N: a review

    International Nuclear Information System (INIS)

    PalDey, S.; Deevi, S.C.

    2003-01-01

    periodicity of 5-10 nm allow creation of coatings with different properties than PVD deposited single layered thick coatings with columnar grain structure. A range of (Ti,Al)N based multilayers containing layers of (Ti,Al)CN, (Ti,Nb)N, TiN, AlN/TiN, CrN, Mo and WC are also reviewed. It is now possible to design new wear resistant or functional coatings based on a multilayer or a multicomponent system to meet the demanding applications of advanced materials

  8. On the layer structure of vanadium pentoxide gels. Comment on `molecular dynamic simulation of the vanadium pentoxide gel host`

    Energy Technology Data Exchange (ETDEWEB)

    Yao, Takeshi [Department of Fundamental Energy Science, Graduate School of Energy Sciences, Kyoto University, Kyoto (Japan); Oka, Yoshio [Department of Natural Environment Sciences, Faculty of Integrated Human Studies, Kyoto University, Kyoto (Japan)

    1997-04-16

    A comment on the article entitled `molecular dynamic simulation of the vanadium pentoxide gel host` [J. Linde and J.O. Thomas, Solid State Ionics 85 (1996) 1] is presented concerning the model structure of the V{sub 2}O{sub 5} layer of vanadium pentoxide gels. The double-layer structure used in the simulation was derived from the crystalline V{sub 2}O{sub 5}. This model structure significantly differs from the double-sheet type determined by the X-ray Rietvelt method. The simulation should be recalculated based on the double-sheet type V{sub 2}O{sub 5} layer

  9. Cleavage and formation of molecular dinitrogen in a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine.

    Science.gov (United States)

    Miyazaki, Takamasa; Tanaka, Hiromasa; Tanabe, Yoshiaki; Yuki, Masahiro; Nakajima, Kazunari; Yoshizawa, Kazunari; Nishibayashi, Yoshiaki

    2014-10-20

    The N≡N bond of molecular dinitrogen bridging two molybdenum atoms in the pentamethylcyclopentadienyl molybdenum complexes that bear ferrocenyldiphosphine as an auxiliary ligand is homolytically cleaved under visible light irradiation at room temperature to afford two molar molybdenum nitride complexes. Conversely, the bridging molecular dinitrogen is reformed by the oxidation of the molybdenum nitride complex at room temperature. This result provides a successful example of the cleavage and formation of molecular dinitrogen induced by a pair of two different external stimuli using a single system assisted by molybdenum complexes bearing ferrocenyldiphosphine under ambient conditions. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Enhancement of the superconducting transition temperature of FeSe by intercalation of a molecular spacer layer.

    Science.gov (United States)

    Burrard-Lucas, Matthew; Free, David G; Sedlmaier, Stefan J; Wright, Jack D; Cassidy, Simon J; Hara, Yoshiaki; Corkett, Alex J; Lancaster, Tom; Baker, Peter J; Blundell, Stephen J; Clarke, Simon J

    2013-01-01

    The discovery of high-temperature superconductivity in a layered iron arsenide has led to an intensive search to optimize the superconducting properties of iron-based superconductors by changing the chemical composition of the spacer layer between adjacent anionic iron arsenide layers. Superconductivity has been found in iron arsenides with cationic spacer layers consisting of metal ions (for example, Li(+), Na(+), K(+), Ba(2+)) or PbO- or perovskite-type oxide layers, and also in Fe(1.01)Se (ref. 8) with neutral layers similar in structure to those found in the iron arsenides and no spacer layer. Here we demonstrate the synthesis of Li(x)(NH(2))(y)(NH(3))(1-y)Fe(2)Se(2) (x~0.6; y~0.2), with lithium ions, lithium amide and ammonia acting as the spacer layer between FeSe layers, which exhibits superconductivity at 43(1) K, higher than in any FeSe-derived compound reported so far. We have determined the crystal structure using neutron powder diffraction and used magnetometry and muon-spin rotation data to determine the superconducting properties. This new synthetic route opens up the possibility of further exploitation of related molecular intercalations in this and other systems to greatly optimize the superconducting properties in this family.

  11. Atomically-thin molecular layers for electrode modification of organic transistors

    Science.gov (United States)

    Gim, Yuseong; Kang, Boseok; Kim, Bongsoo; Kim, Sun-Guk; Lee, Joong-Hee; Cho, Kilwon; Ku, Bon-Cheol; Cho, Jeong Ho

    2015-08-01

    Atomically-thin molecular layers of aryl-functionalized graphene oxides (GOs) were used to modify the surface characteristics of source-drain electrodes to improve the performances of organic field-effect transistor (OFET) devices. The GOs were functionalized with various aryl diazonium salts, including 4-nitroaniline, 4-fluoroaniline, or 4-methoxyaniline, to produce several types of GOs with different surface functional groups (NO2-Ph-GO, F-Ph-GO, or CH3O-Ph-GO, respectively). The deposition of aryl-functionalized GOs or their reduced derivatives onto metal electrode surfaces dramatically enhanced the electrical performances of both p-type and n-type OFETs relative to the performances of OFETs prepared without the GO modification layer. Among the functionalized rGOs, CH3O-Ph-rGO yielded the highest hole mobility of 0.55 cm2 V-1 s-1 and electron mobility of 0.17 cm2 V-1 s-1 in p-type and n-type FETs, respectively. Two governing factors: (1) the work function of the modified electrodes and (2) the crystalline microstructures of the benchmark semiconductors grown on the modified electrode surface were systematically investigated to reveal the origin of the performance improvements. Our simple, inexpensive, and scalable electrode modification technique provides a significant step toward optimizing the device performance by engineering the semiconductor-electrode interfaces in OFETs.Atomically-thin molecular layers of aryl-functionalized graphene oxides (GOs) were used to modify the surface characteristics of source-drain electrodes to improve the performances of organic field-effect transistor (OFET) devices. The GOs were functionalized with various aryl diazonium salts, including 4-nitroaniline, 4-fluoroaniline, or 4-methoxyaniline, to produce several types of GOs with different surface functional groups (NO2-Ph-GO, F-Ph-GO, or CH3O-Ph-GO, respectively). The deposition of aryl-functionalized GOs or their reduced derivatives onto metal electrode surfaces dramatically

  12. Monolithic-Structured Single-Layered Textile-Based Dye-Sensitized Solar Cells

    Science.gov (United States)

    Yun, Min Ju; Cha, Seung I.; Kim, Han Seong; Seo, Seon Hee; Lee, Dong Y.

    2016-10-01

    Textile-structured solar cells are frequently discussed in the literature due to their prospective applications in wearable devices and in building integrated solar cells that utilize their flexibility, mechanical robustness, and aesthetic appearance, but the current approaches for textile-based solar cells—including the preparation of fibre-type solar cells woven into textiles—face several difficulties from high friction and tension during the weaving process. This study proposes a new structural concept and fabrication process for monolithic-structured textile-based dye-sensitized solar cells that are fabricated by a process similar to the cloth-making process, including the preparation of wires and yarns that are woven for use in textiles, printed, dyed, and packaged. The fabricated single-layered textile-based dye-sensitized solar cells successfully act as solar cells in our study, even under bending conditions. By controlling the inter-weft spacing and the number of Ti wires for the photoelectrode conductor, we have found that the performance of this type of dye-sensitized solar cell was notably affected by the spacing between photoelectrodes and counter-electrodes, the exposed areas of Ti wires to photoelectrodes, and photoelectrodes’ surface morphology. We believe that this study provides a process and concept for improved textile-based solar cells that can form the basis for further research.

  13. Pregnancy rates after artificial insemination with cooled stallion spermatozoa either with or without single layer centrifugation.

    Science.gov (United States)

    Morrell, J M; Richter, J; Martinsson, G; Stuhtmann, G; Hoogewijs, M; Roels, K; Dalin, A-M

    2014-11-01

    A successful outcome after artificial insemination with cooled semen is dependent on many factors, the sperm quality of the ejaculate being one. Previous studies have shown that spermatozoa with good motility, normal morphology, and good chromatin integrity can be selected by means of colloid centrifugation, particularly single layer centrifugation (SLC) using species-specific colloids. The purpose of the present study was to conduct an insemination trial with spermatozoa from "normal" ejaculates, i.e., from stallions with no known fertility problem, to determine whether the improvements in sperm quality seen in SLC-selected sperm samples compared with uncentrifuged controls in laboratory tests are reflected in an increased pregnancy rate after artificial insemination. In a multicentre study, SLC-selected sperm samples and uncentrifuged controls from eight stallions were inseminated into approximately 10 mares per treatment per stallion. Ultrasound examination was carried out approximately 16 days after insemination to detect an embryonic vesicle. The pregnancy rates per cycle were 45% for controls and 69% for SLC-selected sperm samples, which is statistically significant (P < 0.0018). Thus, the improvement in sperm quality reported previously for SLC-selected sperm samples is associated with an increase in pregnancy rate, even for ejaculates from stallions with no known fertility problem. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Monolithic-Structured Single-Layered Textile-Based Dye-Sensitized Solar Cells

    Science.gov (United States)

    Yun, Min Ju; Cha, Seung I.; Kim, Han Seong; Seo, Seon Hee; Lee, Dong Y.

    2016-01-01

    Textile-structured solar cells are frequently discussed in the literature due to their prospective applications in wearable devices and in building integrated solar cells that utilize their flexibility, mechanical robustness, and aesthetic appearance, but the current approaches for textile-based solar cells—including the preparation of fibre-type solar cells woven into textiles—face several difficulties from high friction and tension during the weaving process. This study proposes a new structural concept and fabrication process for monolithic-structured textile-based dye-sensitized solar cells that are fabricated by a process similar to the cloth-making process, including the preparation of wires and yarns that are woven for use in textiles, printed, dyed, and packaged. The fabricated single-layered textile-based dye-sensitized solar cells successfully act as solar cells in our study, even under bending conditions. By controlling the inter-weft spacing and the number of Ti wires for the photoelectrode conductor, we have found that the performance of this type of dye-sensitized solar cell was notably affected by the spacing between photoelectrodes and counter-electrodes, the exposed areas of Ti wires to photoelectrodes, and photoelectrodes’ surface morphology. We believe that this study provides a process and concept for improved textile-based solar cells that can form the basis for further research. PMID:27708359

  15. Investigating change of properties in gallium ion irradiation patterned single-layer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Quan, E-mail: wangq@mail.ujs.edu.cn [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Key Laboratory of Nanodevices and Applications, Suzhou Institute of Nano-Tech and Nano-Bionics, Chinese Academy of Sciences (China); Dong, Jinyao; Bai, Bing [School of Mechanical Engineering, Jiangsu University, Zhenjiang 212013 (China); Xie, Guoxin [State Key Laboratory of Tribology, Tsinghua University, Beijing 100084 (China)

    2016-10-14

    Besides its excellent physical properties, graphene promises to play a significant role in electronics with superior properties, which requires patterning of graphene for device integration. Here, we presented the changes in properties of single-layer graphene before and after patterning using gallium ion beam. Combined with Raman spectra of graphene, the scanning capacitance microscopy (SCM) image confirmed that a metal–insulator transition occurred after large doses of gallium ion irradiation. The changes in work function and Raman spectra of graphene indicated that the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. The patterning width of graphene presented an increasing trend due to the scattering influence of the impurities and the substrate. - Highlights: • The scanning capacitance microscopy image confirmed a metal–insulator transition occurred after large doses of gallium ion irradiation. • The changes indicated the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. • The patterning width of graphene presented a increasing trend due to the scattering influence of the impurities and the substrate.

  16. First-principles study of single-layer C-terminated BN quantum dots

    Science.gov (United States)

    Qu, Li-Hua; Zhang, Jian-Min; Xu, Ke-Wei

    2013-09-01

    We present a first-principles study of the structural, electronic and magnetic properties of single-layer C-terminated BN quantum dots (QDs) under different hydrotreating conditions. The morphologies of QDs with fully hydrogenated edges change slightly. For the fully bared cases, the edged C-C bonds become short and protrudent edged C atoms relax inwards therefore edged zigzag C chain tends to a straight line. The cases of the partially passivated by hydrogen atom at apex, the apex C atom is not relaxed inwards and a new C-C bond is formed. The fully hydrogenated QDs especially N-rich cases are energetically more favorable than those with bared or partially hydrogenated ones. The C-terminated BN-QDs have no magnetic moment when their protrudent edged C atoms are fully passivated by hydrogen atoms, while those with bared or partially hydrogenated edges possess magnetic moments and especially for N-rich cases their magnetic moments increase with increasing QD size n for either bared or partially hydrogenated edges. The band gap of the fully hydrogenated QDs decreases oscillatorily with increasing QD size n. Moreover, for the same size n, the energy gap is wider under N-rich condition than under B-rich condition.

  17. Structure of a single whisker representation in layer 2 of mouse somatosensory cortex.

    Science.gov (United States)

    Clancy, Kelly B; Schnepel, Philipp; Rao, Antara T; Feldman, Daniel E

    2015-03-04

    Layer (L)2 is a major output of primary sensory cortex that exhibits very sparse spiking, but the structure of sensory representation in L2 is not well understood. We combined two-photon calcium imaging with deflection of many whiskers to map whisker receptive fields, characterize sparse coding, and quantitatively define the point representation in L2 of mouse somatosensory cortex. Neurons within a column-sized imaging field showed surprisingly heterogeneous, salt-and-pepper tuning to many different whiskers. Single whisker deflection elicited low-probability spikes in highly distributed, shifting neural ensembles spanning multiple cortical columns. Whisker-evoked response probability correlated strongly with spontaneous firing rate, but weakly with tuning properties, indicating a spectrum of inherent responsiveness across pyramidal cells. L2 neurons projecting to motor and secondary somatosensory cortex differed in whisker tuning and responsiveness, and carried different amounts of information about columnar whisker deflection. From these data, we derive a quantitative, fine-scale picture of the distributed point representation in L2. Copyright © 2015 the authors 0270-6474/15/353946-13$15.00/0.

  18. Broadband photodetector based on carbon nanotube thin film/single layer graphene Schottky junction

    Science.gov (United States)

    Zhang, Teng-Fei; Li, Zhi-Peng; Wang, Jiu-Zhen; Kong, Wei-Yu; Wu, Guo-An; Zheng, Yu-Zhen; Zhao, Yuan-Wei; Yao, En-Xu; Zhuang, Nai-Xi; Luo, Lin-Bao

    2016-12-01

    In this study, we present a broadband nano-photodetector based on single-layer graphene (SLG)-carbon nanotube thin film (CNTF) Schottky junction. It was found that the as-fabricated device exhibited obvious sensitivity to a wide range of illumination, with peak sensitivity at 600 and 920 nm. In addition, the SLG-CNTF device had a fast response speed (τr = 68 μs, τf = 78 μs) and good reproducibility in a wide range of switching frequencies (50-5400 Hz). The on-off ratio, responsivity, and detectivity of the device were estimated to be 1 × 102, 209 mAW-1 and 4.87 × 1010 cm Hz1/2 W-1, respectively. What is more, other device parameters including linear performance θ and linear dynamic range (LDR) were calculated to be 0.99 and 58.8 dB, respectively, which were relatively better than other carbon nanotube based devices. The totality of the above study signifies that the present SLG-CNTF Schottky junction broadband nano-photodetector may have promising application in future nano-optoelectronic devices and systems.

  19. Compact Single-Layer Traveling-Wave Antenna DesignUsing Metamaterial Transmission Lines

    Science.gov (United States)

    Alibakhshikenari, Mohammad; Virdee, Bal Singh; Limiti, Ernesto

    2017-12-01

    This paper presents a single-layer traveling-wave antenna (TWA) that is based on composite right/left-handed (CRLH)-metamaterial (MTM) transmission line (TL) structure, which is implemented by using a combination of interdigital capacitors and dual-spiral inductive slots. By embedding dual-spiral inductive slots inside the CRLH MTM-TL results in a compact TWA. Dimensions of the proposed CRLH MTM-TL TWA is 21.5 × 30.0 mm2 or 0.372λ0 × 0.520λ0 at 5.2 GHz (center frequency). The fabricated TWA operates over 1.8-8.6 GHz with a fractional bandwidth greater than 120%, and it exhibits a peak gain and radiation efficiency of 4.2 dBi and 81%, respectively, at 5 GHz. By avoiding the use of lumped components, via-holes or defected ground structures, the proposed TWA design is economic for mass production as well as easy to integrate with wireless communication systems.

  20. Substitutional impurity in single-layer graphene: The Koster–Slater and Anderson models

    Energy Technology Data Exchange (ETDEWEB)

    Davydov, S. Yu., E-mail: sergei-davydov@mail.ru [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2016-06-15

    The Koster–Slater and Anderson models are used to consider substitutional impurities in free-standing single-layer graphene. The density of states of graphene is described using a model (the M model). For the nitrogen and boron impurities, the occupation numbers and the parameter η which defines the fraction of delocalized electrons of the impurity are determined. In this case, experimental data are used for both determination of the model parameters and comparison with the results of theoretical estimations. The general features of the Koster–Slater and Anderson models and the differences between the two models are discussed. Specifically, it is shown that the band contributions to the occupation numbers of a nitrogen atom in both models are comparable, whereas the local contributions are substantially different: the local contributions are decisive in the Koster–Slater model and negligible in the Anderson model. The asymptotic behavior of the wave functions of a defect is considered in the Koster–Slater model, and the electron states of impurity dimers are considered in the Anderson model.

  1. Investigating change of properties in gallium ion irradiation patterned single-layer graphene

    International Nuclear Information System (INIS)

    Wang, Quan; Dong, Jinyao; Bai, Bing; Xie, Guoxin

    2016-01-01

    Besides its excellent physical properties, graphene promises to play a significant role in electronics with superior properties, which requires patterning of graphene for device integration. Here, we presented the changes in properties of single-layer graphene before and after patterning using gallium ion beam. Combined with Raman spectra of graphene, the scanning capacitance microscopy (SCM) image confirmed that a metal–insulator transition occurred after large doses of gallium ion irradiation. The changes in work function and Raman spectra of graphene indicated that the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. The patterning width of graphene presented an increasing trend due to the scattering influence of the impurities and the substrate. - Highlights: • The scanning capacitance microscopy image confirmed a metal–insulator transition occurred after large doses of gallium ion irradiation. • The changes indicated the defect density increased as increasing the dose and a structural transition occurred during gallium ion irradiation. • The patterning width of graphene presented a increasing trend due to the scattering influence of the impurities and the substrate.

  2. A single-layer tilting actuator with multiple close-gap electrodes

    International Nuclear Information System (INIS)

    Shmilovich, T; Krylov, S

    2009-01-01

    We report on the design, fabrication and characterization of a novel tilting electrostatic actuator, fabricated by using a single layer of a silicon on insulator (SOI) wafer and investigate, both theoretically and experimentally, the electromechanical behavior of the device. The actuator incorporates high aspect ratio comb-like electrodes oriented in the direction parallel to the rotation axis of the tilting element. An increase in the tilting angle is accompanied by a decrease in the distance between the electrodes and by an increase of the actuating torque. Simultaneously, the overlap area between electrodes located farther apart the axis shrinks, resulting in a 'restoring' torque in the opposite direction. The electromechanical behavior and stability of the device were investigated using a simplified model of the actuator and verified by a coupled three-dimensional simulation. Model results suggest that by changing the design parameters, the actuator characteristic can be tailored in a large range. Devices of three different configurations incorporating elastic torsion axes or bending flexures were fabricated and characterized and both static and resonant responses, typical for parametrically excited nonlinear oscillators, were registered. Theoretical and experimental results indicate that the suggested architecture can be efficiently used for the static and dynamic operation of electrostatic tilting devices

  3. Single-layer tungsten oxide as intelligent photo-responsive nanoagents for permanent male sterilization.

    Science.gov (United States)

    Liu, Zhen; Liu, Xianjun; Ran, Xiang; Ju, Enguo; Ren, Jinsong; Qu, Xiaogang

    2015-11-01

    Permanent male sterilization has been recognized as useful tools for the development of neuter experimental animals and fattening livestock, as well as efficient control of pet overpopulation. Traditional routes such as surgical ways, chemical injections, and anti-fertility vaccines have addressed these crucial problems with idea outcomes. However, these routes usually bring out serious pain and infection towards animals, as well as induce long-term adverse reaction and immune suppression. Thus, a convenient, but non-surgical strategy for male sterilization under a mild manner is highly desirable. Here, for the first time, we demonstrate a novel platform for male sterilization by using single-layer WO2.72 nanosheets as smart photo-responsive sterilants. Upon a 980 nm irradiation, these nanoagents can possess intrinsic NIR-induced hyperthermia and sensitize the formation of singlet oxygen due to the cooperation of photothermal and photodynamic effects. Mechanism of cellular injury can be attributed to the denaturation of protein and apoptosis-related death. Moreover, long-term toxicity and possible metabolism route after testicular injection are discussed, indicating the neglectable systemic toxicity and high bio-compatibility of our nanoagents. Overall, our strategy can extremely overcome the shortcomings in various routine routes and suggest the new biological application of nanomaterials. Copyright © 2015 Elsevier Ltd. All rights reserved.

  4. Photocatalytic Stability of Single- and Few-Layer MoS₂.

    Science.gov (United States)

    Parzinger, Eric; Miller, Bastian; Blaschke, Benno; Garrido, Jose A; Ager, Joel W; Holleitner, Alexander; Wurstbauer, Ursula

    2015-11-24

    MoS2 crystals exhibit excellent catalytic properties and great potential for photocatalytic production of solar fuels such as hydrogen gas. In this regard, the photocatalytic stability of exfoliated single- and few-layer MoS2 immersed in water is investigated by μ-Raman spectroscopy. We find that while the basal plane of MoS2 can be treated as stable under photocatalytic conditions, the edge sites and presumably also defect sites are highly affected by a photoinduced corrosion process. The edge sites of MoS2 monolayers are significantly more resistant to photocatalytic degradation compared to MoS2 multilayer edge sites. The photostability of MoS2 edge sites depends on the photon energy with respect to the band gap in MoS2 and also on the presence of oxygen in the electrolyte. These findings are interpreted in the framework of an oxidation process converting MoS2 into MoOx in the presence of oxygen and photoinduced charge carriers. The high stability of the MoS2 basal plane under photocatalytic treatment under visible light irradiation of extreme light intensities on the order of P ≈ 10 mW/μm(2) substantiates MoS2's potential as photocatalyst for solar hydrogen production.

  5. Abrupt change of luminescence spectrum in single-layer phosphorescent polymer light emitting diode

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, X.; Lee, D.-H.; Chae, H. [School of Chemical Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Cho, S.M., E-mail: sungmcho@skku.edu [School of Chemical Engineering, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Advanced Materials and Process Research Center for IT, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of)

    2012-01-15

    PVK-based single-layer phosphorescent polymer OLEDs (organic light emitting diodes) with different rubrene concentrations were fabricated and examined for the Foerster energy transfer from phosphorescent FIrpic dye to rubrene. We found out that at a certain rubrene concentration the energy transfer occurs abruptly and the transfer shows an abnormal evolution of electroluminescence (EL) spectrum due to the coincidence of peak wavelengths of bis[(4,6-difluorophenyl)-pyridinato-N,C{sup 2'}](picolinate) iridium(III) (FIrpic) emission and 5,6,11,12-tetraphenylnaphthacene (rubrene) absorption. With the calculation of Foerster radius and average distance between FIrpic molecules, we have related the calculated ratio between the number of FIrpic molecules within to that out of Foerster radius with the degree of Foerster energy transfer from EL spectra measured in the experiment. Experimental results were found to fit well with the predicted results especially at low rubrene concentrations. - Highlights: > Foerster energy transfer between FIrpic and rubrene. > Energy transfer shows an abnormal evolution of emission spectrum. > Calculated Foerster radius and degree of energy transfer by a simple model.

  6. A single-layer peptide nanofiber for enhancing the cytotoxicity of trastuzumab (anti-HER)

    Energy Technology Data Exchange (ETDEWEB)

    Malik, Ruchi; Wagh, Anil; Qian, Steven; Law, Benedict, E-mail: Shek.law@ndsu.edu [College of Pharmacy, Nursing, and Allied Sciences, North Dakota State University, Department of Pharmaceutical Sciences (United States)

    2013-06-15

    A multivalent system is often employed to enhance the effectiveness of a targeted therapy. In the present study, we report a single-layer peptide nanofiber (NFP) as a multivalent targeting platform to improve the cytotoxicity of trastuzumab (anti-HER), a monoclonal antibody targeting the human epidermal growth factor receptor 2 (HER-2) in approximately 20 % of breast cancer patients. The trastuzumab-conjugated nanofiber (anti-HER/NFP) was 100 Multiplication-Sign 4 nm in size and was assembled from multiple peptide units (mPEG-BK(FITC)SGASNRA-kldlkldlkldl-CONH{sub 2}). The optimized preparation was attached with approximately 10 antibodies at the surface. Because of an increase in the multivalency, anti-HER/NFP was able to truncate more cell surface HER-2 and, thus, showed an enhanced cytotoxicity toward HER-2 positive SKBr-3 human breast cancer as compared to the free anti-HER. Western blot analysis and fluorescence microscopic studies confirmed that there was a significant downregulation of the HER-2 level and also inhibition of the cell survival cell signaling pathways including the phosphatidylinositol 3-kinase (PI3K) and the mitogen activated protein kinase (MAPK) pathway. Our data suggested that NFP can be useful as a multivalent platform for immunotherapy, especially in combination with other chemotherapeutic agents in the future.

  7. The Stability of New Single-Layer Combined Lattice Shell Based on Aluminum Alloy Honeycomb Panels

    Directory of Open Access Journals (Sweden)

    Caiqi Zhao

    2017-11-01

    Full Text Available This article proposes a new type of single-layer combined lattice shell (NSCLS; which is based on aluminum alloy honeycomb panels. Six models with initial geometric defect were designed and precision made using numerical control equipment. The stability of these models was tested. The results showed that the stable bearing capacity of NSCLS was approximately 16% higher than that of a lattice shell with the same span without a reinforcing plate. At the same time; the properties of the NSCLS were sensitive to defects. When defects were present; its stable bearing capacity was decreased by 12.3% when compared with the defect-free model. The model with random defects following a truncated Gaussian distribution could be used to simulate the distribution of defects in the NSCLS. The average difference between the results of the nonlinear analysis and the experimental results was 5.7%. By calculating and analyzing nearly 20,000 NSCLS; the suggested values of initial geometric defect were presented. The results of this paper could provide a theoretical basis for making and revising the design codes for this new combined lattice shell structure.

  8. Effect of cushioned or single layer semen centrifugation before sex sorting on frozen stallion semen quality.

    Science.gov (United States)

    Mari, G; Bucci, D; Love, C C; Mislei, B; Rizzato, G; Giaretta, E; Merlo, B; Spinaci, M

    2015-04-01

    The aim of this study was to compare the effect of presorting centrifugation (cushioned [CC] or single-layer colloid [SLC]), with simple dilution (SD), on the quality of sex-sorted stallion semen before and after sorting and after freezing and thawing. Four ejaculates from each of two fertile stallions were collected 1 week apart and evaluated for percent total sperm motility (TM), percent viable acrosome-intact sperm (VAI), and DNA quality (percentage of DNA fragmentation index). Freezing caused, independently from CC and SLC treatments, a significant decrease of TM (P < 0.05) and VAI (P < 0.05) in both unsorted and sorted semen. On the other hand, sorting did not impair TM and VAI and, interestingly, improved DNA quality in all treatments only before freezing (28 vs 13, 28 vs 10, 22 vs 7 in SD, CC, and SLC for unsorted vs sorted groups, respectively; P < 0.05); this positive effect was lost in the same samples after freezing and thawing, suggesting that the freezing process reduces the DNA quality of sex-sorted sperm. Our results suggest that CC and SLC are not able to select those spermatozoa that possess a better ability to withstand sperm processing associated with sperm sorting and freezing. Copyright © 2015 Elsevier Inc. All rights reserved.

  9. Single layer centrifugation-selected boar spermatozoa are capable of fertilization in vitro

    Science.gov (United States)

    2013-01-01

    Background Good quality spermatozoa are important to achieve fertilization, viable embryos and offspring. Single Layer Centrifugation (SLC) through a colloid (Androcoll-P) selects good quality spermatozoa. However, it has not been established previously whether porcine spermatozoa selected by this method maintain their fertility. Methods The semen was prepared either by SLC or by standard centrifugation (control) and used for in vitro fertilization (IVF) at oocyte:spermatozoa ratios of 1:50; 1:100 and 1:300 (or 4 x 103, 8 x 103 and 24 x 103 spermatozoa/ml) to evaluate their subsequent ability to generate blastocysts. In addition, sperm motility was assessed by computer assisted sperm motility analysis. Results Total and progressive motility were significantly higher in sperm samples prepared by SLC compared to uncentrifuged samples. Sperm binding ability, polyspermy, cleavage and blastocyst rates were affected by the oocyte:sperm ratio, but not by sperm treatment. Conclusion The use of SLC does not adversely affect the in vitro fertilizing and embryo-generating ability of the selected spermatozoa compared to their unselected counterparts, but further modifications in the IVF conditions would be needed to improve the monospermy in IVF systems. Since SLC did not appear to have a negative effect on sperm fertilizing ability, and may in fact select for spermatozoa with a greater potential for fertilization, an in vivo trial to determine the usefulness of this sperm preparation technique prior to artificial insemination is warranted. PMID:23497680

  10. Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

    KAUST Repository

    Chen, Chen

    2017-12-20

    We have characterized the local electronic structure of a porphyrin-containing single-layer covalent organic framework (COF) exhibiting a square lattice. The COF monolayer was obtained by the deposition of 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (DMA) and 5,10,15,20-tetrakis(4-aminophenyl) porphyrin (TAPP) onto a Au(111) surface in ultrahigh vacuum followed by annealing to facilitate Schiff-base condensations between monomers. Scanning tunneling spectroscopy (STS) experiments conducted on isolated TAPP precursor molecules and the covalently linked COF networks yield similar transport (HOMO-LUMO) gaps of 1.85 ± 0.05 eV and 1.98 ± 0.04 eV, respectively. The COF orbital energy alignment, however, undergoes a significant downward shift compared to isolated TAPP molecules due to the electron-withdrawing nature of the imine bond formed during COF synthesis. Direct imaging of the COF local density of states (LDOS) via dI/dV mapping reveals that the COF HOMO and LUMO states are localized mainly on the porphyrin cores and that the HOMO displays reduced symmetry. DFT calculations reproduce the imine-induced negative shift in orbital energies and reveal that the origin of the reduced COF wave function symmetry is a saddle-like structure adopted by the porphyrin macrocycle due to its interactions with the Au(111) substrate.

  11. Fabrication of metallic single electron transistors featuring plasma enhanced atomic layer deposition of tunnel barriers

    Science.gov (United States)

    Karbasian, Golnaz

    The continuing increase of the device density in integrated circuits (ICs) gives rise to the high level of power that is dissipated per unit area and consequently a high temperature in the circuits. Since temperature affects the performance and reliability of the circuits, minimization of the energy consumption in logic devices is now the center of attention. According to the International Technology Roadmaps for Semiconductors (ITRS), single electron transistors (SETs) hold the promise of achieving the lowest power of any known logic device, as low as 1x10-18 J per switching event. Moreover, SETs are the most sensitive electrometers to date, and are capable of detecting a fraction of an electron charge. Despite their low power consumption and high sensitivity for charge detection, room temperature operation of these devices is quite challenging mainly due to lithographical constraints in fabricating structures with the required dimensions of less than 10 nm. Silicon based SETs have been reported to operate at room temperature. However, they all suffer from significant variation in batch-to-batch performance, low fabrication yield, and temperature-dependent tunnel barrier height. In this project, we explored the fabrication of SETs featuring metal-insulator-metal (MIM) tunnel junctions. While Si-based SETs suffer from undesirable effect of dopants that result in irregularities in the device behavior, in metal-based SETs the device components (tunnel barrier, island, and the leads) are well-defined. Therefore, metal SETs are potentially more predictable in behavior, making them easier to incorporate into circuits, and easier to check against theoretical models. Here, the proposed fabrication method takes advantage of unique properties of chemical mechanical polishing (CMP) and plasma enhanced atomic layer deposition (PEALD). Chemical mechanical polishing provides a path for tuning the dimensions of the tunnel junctions, surpassing the limits imposed by electron beam

  12. Single particle and molecular assembly analysis of polyribosomes by single- and double-tilt cryo electron tomography

    Energy Technology Data Exchange (ETDEWEB)

    Myasnikov, Alexander G. [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France); Afonina, Zhanna A. [Institute of Protein Research, Russian Academy of Sciences, 142290 Pushchino, Moscow Region (Russian Federation); Klaholz, Bruno P., E-mail: klaholz@igbmc.fr [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Department of Integrative Structural Biology, Centre National de la Recherche Scientifique (CNRS) UMR 7104/ Institut National de la Santé de la Recherche Médicale INSERM U964/ Université de Strasbourg, 1 rue Laurent Fries, 67404 Illkirch (France)

    2013-03-15

    Cryo electron tomography (cryo-ET) can provide cellular and molecular structural information on various biological samples. However, the detailed interpretation of tomograms reconstructed from single-tilt data tends to suffer from low signal-to-noise ratio and artefacts caused by some systematically missing angular views. While these can be overcome by sub-tomogram averaging, they remain limiting for the analysis of unique structures. Double-tilt ET can improve the tomogram quality by acquiring a second tilt series after an in-plane rotation, but its usage is not widespread yet because it is considered technically demanding and it is rarely used under cryo conditions. Here we show that double-tilt cryo-ET improves the quality of 3D reconstructions so significantly that even single particle analysis can be envisaged despite of the intrinsically low image contrast obtained from frozen-hydrated specimens. This is illustrated by the analysis of eukaryotic polyribosomes in which individual ribosomes were reconstructed using single-tilt, partial and full double-tilt geometries. The improved tomograms favour the faster convergence of iterative sub-tomogram averaging and allow a better 3D classification using multivariate statistical analysis. Our study of single particles and molecular assemblies within polysomes illustrates that the dual-axis approach is particularly useful for cryo applications of ET, both for unique objects and for structures that can be classified and averaged. - Highlights: ► Double-tilt cryo-ET improves 3D reconstructions thus making single particle analysis possible. ► Dual-axis cryo-ET data favour a faster convergence of iterative sub-tomogram averaging. ► Individual ribosomes were reconstructed from single-tilt, partial/ full double-tilt geometries. ► Double-tilt cryo-ET facilitates analysis of larger molecular assemblies such as in cell sections. ► Dual-axis cryo-ET is applicable to unique objects and to structures that can be

  13. Growing vertical ZnO nanorod arrays within graphite: efficient isolation of large size and high quality single-layer graphene.

    Science.gov (United States)

    Ding, Ling; E, Yifeng; Fan, Louzhen; Yang, Shihe

    2013-07-18

    We report a unique strategy for efficiently exfoliating large size and high quality single-layer graphene directly from graphite into DMF dispersions by growing ZnO nanorod arrays between the graphene layers in graphite.

  14. Molecular dynamics of wetting layer formation and forced water invasion in angular nanopores with mixed wettability

    Energy Technology Data Exchange (ETDEWEB)

    Sedghi, Mohammad, E-mail: msedghi@uwyo.edu; Piri, Mohammad; Goual, Lamia [Department of Chemical and Petroleum Engineering, University of Wyoming, 1000 East University Avenue, Laramie, Wyoming 82071 (United States)

    2014-11-21

    The depletion of conventional hydrocarbon reservoirs has prompted the oil and gas industry to search for unconventional resources such as shale gas/oil reservoirs. In shale rocks, considerable amounts of hydrocarbon reside in nanoscale pore spaces. As a result, understanding the multiphase flow of wetting and non-wetting phases in nanopores is important to improve oil and gas recovery from these formations. This study was designed to investigate the threshold capillary pressure of oil and water displacements in a capillary dominated regime inside nanoscale pores using nonequilibrium molecular dynamics (NEMD) simulations. The pores have the same cross-sectional area and volume but different cross-sectional shapes. Oil and water particles were represented with a coarse grained model and the NEMD simulations were conducted by assigning external pressure on an impermeable piston. Threshold capillary pressures were determined for the drainage process (water replaced by oil) in different pores. The molecular dynamics results are in close agreements with calculations using the Mayer-Stowe-Princen (MS-P) method which has been developed on the premise of energy balance in thermodynamic equilibrium. After the drainage simulations, a change in wall particles’ wettability from water-wet to oil-wet was implemented based on the final configuration of oil and water inside the pore. Waterflooding simulations were then carried out at the threshold capillary pressure. The results show that the oil layer formed between water in the corner and in the center of the pore is not stable and collapses as the simulation continues. This is in line with the predictions from the MS-P method.

  15. Highly sensitive multi-layer pressure sensor with an active nanostructured layer of an organic molecular metal

    International Nuclear Information System (INIS)

    Laukhin, V; Lebedev, V; Laukhina, E; Rovira, C; Veciana, J

    2016-01-01

    This work addresses to the modern technologies that need to be instrumented with lightweight highly sensitive pressure sensors. The paper presents the development of a new plain flexible thin pressure sensor using a nanostructured layer of the highly sensitive organic piezoresistive metal β-(BEDT-TTF) 2 I 3 as an active component; BEDT-TTF=bis (ethylenedithio)tetrathiafulvalene. The original construction approach permits one to operate the developed sensor on the principle of electrical resistance variations when its piezoresistive layer is elongated under a pressure increase. The pressure sensing element and a set of gold electrodes were integrated into one compact multi-layer design. The construction was optimized to enable one generic design for pressure ranges from 1 to 400 bar. The pressure tests showed that the sensor is able to control a small pressure change as a well definite electrical signal. So the developed type of the sensors is very attractive as a new generation of compact, lightweight, low-cost sensors that might monitor pressure with a good level of measurement accuracy. (paper)

  16. Identification of the Viscous Superlayer on the Low-Speed Side of a Single-Stream Shear Layer

    Science.gov (United States)

    Foss, John; Peabody, Jason

    2010-11-01

    Image pairs (elevation/plan views) have been acquired of a smoke streakline originating in the irrotational region on the low-speed side of a high Re single-stream shear layer of Morris and Foss (2003). The viscous superlayer (VSL) is identified as the terminus of the streak; 1800 such images provide VSL position statistics. Hot-wire data acquired concurrently at the shear layer edge and interior are used to investigate the relationship between these velocity magnitudes and the large-scale motions. Distinctive features (plumes) along the streakline are tracked between images to provide discrete irrotational region velocity magnitudes and material trajectories. A non-diffusive marker, introduced in the separating (high speed) boundary layer and imaged at x/θo=352, has revealed an unexpected bias in the streak-defined VSL locations. The interpretation of this bias clarifies the induced flow patterns in the entrainment region. The observations are consistent with a conception of the large-scale shear layer motions as "billows" of vortical fluid separated by re-entrant "wedges" of irrotational fluid, per Phillips (1972). Morris, S.C. and Foss, J.F. (2003). "Turbulent Boundary Layer to Single Stream Shear Layer: The Transition Region." Journal of Fluid Mechanics. Vol. 494, pp. 187-221. Phillips, O. M. (1972). "The Entrainment Interface." Journal of Fluid Mechanics. Vol. 51, pp. 97-118.

  17. Impact of adding a second-layer to a single unlocked closure of Cesarean uterine incision: a randomized controlled trial

    DEFF Research Database (Denmark)

    Rudnicki, Martin; Bennich, G; Wilken-Jensen, C

    2016-01-01

    The purpose of the present study was to investigate short- and long term effects on residual myometrial thickness (RMT) by adding a second-layer to a single unlocked closure of caesarean uterine incision. METHOD: he study was a randomized double-blind controlled trial. Healthy nulliparous scheduled...

  18. 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.

  19. One-step formation of a single atomic-layer transistor by the selective fluorination of a graphene film.

    Science.gov (United States)

    Ho, Kuan-I; Liao, Jia-Hong; Huang, Chi-Hsien; Hsu, Chang-Lung; Zhang, Wenjing; Lu, Ang-Yu; Li, Lain-Jong; Lai, Chao-Sung; Su, Ching-Yuan

    2014-03-12

    In this study, the scalable and one-step fabrication of single atomic-layer transistors is demonstrated by the selective fluorination of graphene using a low-damage CF4 plasma treatment, where the generated F-radicals preferentially fluorinated the graphene at low temperature (semiconductor/insulator can be directly formed in a single layer of graphene using a one-step fluorination process by introducing a Au thin-film as a buffer layer. With this heterojunction structure, it would be possible to fabricate transistors in a single graphene film via a one-step fluorination process, in which pristine graphene, partial F-graphene, and highly F-graphene serve as the source/drain contacts, the channel, and the channel isolation in a transistor, respectively. The demonstrated graphene transistor exhibits an on-off ratio above 10, which is 3-fold higher than that of devices made from pristine graphene. This efficient transistor fabrication method produces electrical heterojunctions of graphene over a large area and with selective patterning, providing the potential for the integration of electronics down to the single atomic-layer scale. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. 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....

  1. Positron annihilation studies of defects in molecular beam epitaxy grown III-V layers

    International Nuclear Information System (INIS)

    Umlor, M.T.; Keeble, D.J.; Cooke, P.W.

    1994-01-01

    A summary of recent positron annihilation experiments on molecular beam epitaxy (MBE) grown III-V layers is Presented. Variable energy positron beam measurements on Al 0.32 Ga 0.68 As undoped and Si doped have been completed. Positron trapping at a open volume defect in Al 0.32 Ga 0.68 :Si for temperatures from 300 to 25 K in the dark was observed. The positron trap was lost after 1.3 eV illumination at 25K. These results indicate an open volume defect is associated with the local structure of the deep donor state of the DX center. Stability of MBE GaAs to thermal annealing war, investigated over the temperature range of 230 to 700 degrees C, Proximity wafer furnace anneals in flowing argon were used, Samples grown above 450 degrees C were shown to be stable but for sample below this temperature an anneal induced vacancy related defect was produced for anneals between 400 and 500 degrees C. The nature of the defect was shown to be different for material grown at 350 and 230 degrees C. Activation energies of 2.5 eV to 2.3 eV were obtained from isochronal anneal experiments for samples grown at 350 and 230 degrees C, respectively

  2. A spiking network model of cerebellar Purkinje cells and molecular layer interneurons exhibiting irregular firing

    Directory of Open Access Journals (Sweden)

    William eLennon

    2014-12-01

    Full Text Available While the anatomy of the cerebellar microcircuit is well studied, how it implements cerebellar function is not understood. A number of models have been proposed to describe this mechanism but few emphasize the role of the vast network Purkinje cells (PKJs form with the molecular layer interneurons (MLIs – the stellate and basket cells. We propose a model of the MLI-PKJ network composed of simple spiking neurons incorporating the major anatomical and physiological features. In computer simulations, the model reproduces the irregular firing patterns observed in PKJs and MLIs in vitro and a shift toward faster, more regular firing patterns when inhibitory synaptic currents are blocked. In the model, the time between PKJ spikes is shown to be proportional to the amount of feedforward inhibition from an MLI on average. The two key elements of the model are: (1 spontaneously active PKJs and MLIs due to an endogenous depolarizing current, and (2 adherence to known anatomical connectivity along a parasagittal strip of cerebellar cortex. We propose this model to extend previous spiking network models of the cerebellum and for further computational investigation into the role of irregular firing and MLIs in cerebellar learning and function.

  3. High Hole-Mobility Molecular Layer Made from Strong Electron Acceptor Molecules with Metal Adatoms.

    Science.gov (United States)

    Yamane, Hiroyuki; Kosugi, Nobuhiro

    2017-11-02

    The electronic structure of 7,7,8,8-tetracyanoquinodimethane (TCNQ) and 2,3,5,6-tetrafluoro-TCNQ (F 4 TCNQ) monolayers on Au(111) has been investigated by means of angle-resolved photoemission spectroscopy (ARPES) with synchrotron radiation. In contrast to the physisorbed TCNQ/Au(111) interface, the high-resolution core-level photoemission spectra and the low-energy electron diffraction at the F 4 TCNQ/Au(111) interface show evidence for the strong charge transfer (CT) from Au to F 4 TCNQ and for the Au atom segregation from the underlying Au(111) surface, suggesting a possible origin of the spontaneous formation of the two-dimensional F 4 TCNQ-Au network. The ARPES experiment reveals a low hole-injection barrier and large band dispersion in the CT-induced topmost valence level of the F 4 TCNQ-Au network with 260 meV bandwidth due to the adatom-mediated intermolecular interaction. These results indicate that strong electron acceptor molecules with metal adatoms can form high hole-mobility molecular layers by controlling the molecule-metal ordered structure and their CT interaction.

  4. Uniform and Conformal Carbon Nanofilms Produced Based on Molecular Layer Deposition

    Directory of Open Access Journals (Sweden)

    Peng Yang

    2013-12-01

    Full Text Available Continuous and uniform carbon nanofilms (CNFs are prepared by pyrolysis of polyimide films which are produced by molecular layer deposition (MLD. The film thickness can be easily controlled at nanometer scale by altering the cycle numbers. During the annealing process at 600 °C, the polyimide film is subject to shrinkage of 70% in thickness. The obtained CNFs do not exhibit a well-graphitized structure due to the low calcination temperature. No clear pore structures are observed in the produced films. CNFs grown on a glass substrate with a thickness of about 1.4 nm shows almost 98% optical transmittance in the visible spectrum range. Au nanoparticles coated with CNFs are produced by this method. Carbon nanotubes with uniform wall thickness are obtained using anodic aluminum oxide as a template by depositing polyimide films into its pores. Our results demonstrate that this method is very effective to coat conformal and uniform CNFs on various substrates, such as nanoparticles and porous templates, to produce functional composite nanomaterials.

  5. Thickness-dependent electron mobility of single and few-layer MoS2 thin-film transistors

    Directory of Open Access Journals (Sweden)

    Ji Heon Kim

    2016-06-01

    Full Text Available We investigated the dependence of electron mobility on the thickness of MoS2 nanosheets by fabricating bottom-gate single and few-layer MoS2 thin-film transistors with SiO2 gate dielectrics and Au electrodes. All the fabricated MoS2 transistors showed on/off-current ratio of ∼107 and saturated output characteristics without high-k capping layers. As the MoS2 thickness increased from 1 to 6 layers, the field-effect mobility of the fabricated MoS2 transistors increased from ∼10 to ∼18 cm2V−1s−1. The increased subthreshold swing of the fabricated transistors with MoS2 thickness suggests that the increase of MoS2 mobility with thickness may be related to the dependence of the contact resistance and the dielectric constant of MoS2 layer on its thickness.

  6. Research Update: Molecular electronics: The single-molecule switch and transistor

    Directory of Open Access Journals (Sweden)

    Kai Sotthewes

    2014-01-01

    Full Text Available In order to design and realize single-molecule devices it is essential to have a good understanding of the properties of an individual molecule. For electronic applications, the most important property of a molecule is its conductance. Here we show how a single octanethiol molecule can be connected to macroscopic leads and how the transport properties of the molecule can be measured. Based on this knowledge we have realized two single-molecule devices: a molecular switch and a molecular transistor. The switch can be opened and closed at will by carefully adjusting the separation between the electrical contacts and the voltage drop across the contacts. This single-molecular switch operates in a broad temperature range from cryogenic temperatures all the way up to room temperature. Via mechanical gating, i.e., compressing or stretching of the octanethiol molecule, by varying the contact's interspace, we are able to systematically adjust the conductance of the electrode-octanethiol-electrode junction. This two-terminal single-molecule transistor is very robust, but the amplification factor is rather limited.

  7. Electronic structure of surface-supported bis(phthalocyaninato) terbium(III) single molecular magnets.

    Science.gov (United States)

    Vitali, Lucia; Fabris, Stefano; Conte, Adriano Mosca; Brink, Susan; Ruben, Mario; Baroni, Stefano; Kern, Klaus

    2008-10-01

    The electronic structure of isolated bis(phthalocyaninato) terbium(III) molecules, a novel single-molecular-magnet (SMM), supported on the Cu(111) surface has been characterized by density functional theory and scanning tunneling spectroscopy. These studies reveal that the interaction with the metal surface preserves both the molecular structure and the large spin magnetic moment of the metal center. The 4f electron states are not perturbed by the adsorption while a strong molecular/metal interaction can induce the suppression of the minor spin contribution delocalized over the molecular ligands. The calculations show that the inherent spin magnetic moment of the molecule is only weakly affected by the interaction with the surface and suggest that the SMM character might be preserved.

  8. Possibility designing half-wave and full-wave molecular rectifiers by using single benzene molecule

    Science.gov (United States)

    Abbas, Mohammed A.; Hanoon, Falah H.; Al-Badry, Lafy F.

    2018-02-01

    This work focused on possibility designing half-wave and full-wave molecular rectifiers by using single and two benzene rings, respectively. The benzene rings were threaded by a magnetic flux that changes over time. The quantum interference effect was considered as the basic idea in the rectification action, the para and meta configurations were investigated. All the calculations are performed by using steady-state theoretical model, which is based on the time-dependent Hamiltonian model. The electrical conductance and the electric current are considered as DC output signals of half-wave and full-wave molecular rectifiers. The finding in this work opens up the exciting potential to use these molecular rectifiers in molecular electronics.

  9. Acyclic cucurbit[n]uril molecular containers selectively solubilize single-walled carbon nanotubes in water.

    Science.gov (United States)

    Shen, Cai; Ma, Da; Meany, Brendan; Isaacs, Lyle; Wang, YuHuang

    2012-05-02

    Making single-walled carbon nanotubes (SWNTs) soluble in water is a challenging first step to use their remarkable electronic and optical properties in a variety of applications. We report that acyclic cucurbit[n]uril molecular containers 1 and 2 selectively solubilize small-diameter and low chiral angle SWNTs. The selectivity is tunable by increasing the concentration of the molecular containers or by adjusting the ionic strength of the solution. Even at a concentration 1000 times lower than typically required for surfactants, the molecular containers render SWNTs soluble in water. Molecular mechanics simulations suggest that these C-shaped acyclic molecules complex the SWNTs such that a large portion of nanotube sidewalls are exposed to the external environment. These "naked" nanotubes fluoresce upon patching the exposed surface with sodium dodecylbenzene sulfonate. © 2012 American Chemical Society

  10. Variable contact gap single-molecule conductance determination for a series of conjugated molecular bridges

    DEFF Research Database (Denmark)

    Haiss, W.; Wang, Christian; Jitchati, R.

    2008-01-01

    It is now becoming clear that the characteristics of the whole junction are important in determining the conductance of single molecules bound between two metal contacts. This paper shows through measurements on a series of seven conjugated molecular bridges that contact separation is an important...... that conductance increases rather dramatically at higher tilt angle away from the normal for conformationally rigid molecular wires and that this increase in conductance arises from increased electronic coupling between the molecular bridge and the gold contacts.......-distance curves and knowledge of the terminal to terminal length of the molecular wire. The contact gap separation dependence is interpreted as arising from tilting of these molecules in the junction and this model is underpinned by ab initio transport computations. In this respect we make the general observation...

  11. Note: Laser ablation technique for electrically contacting a buried implant layer in single crystal diamond

    International Nuclear Information System (INIS)

    Ray, M. P.; Baldwin, J. W.; Butler, J. E.; Pate, B. B.; Feygelson, T. I.

    2011-01-01

    The creation of thin, buried, and electrically conducting layers within an otherwise insulating diamond by annealed ion implantation damage is well known. Establishing facile electrical contact to the shallow buried layer has been an unmet challenge. We demonstrate a new method, based on laser micro-machining (laser ablation), to make reliable electrical contact to a buried implant layer in diamond. Comparison is made to focused ion beam milling.

  12. Determination of the optimized single-layer ionospheric height for electron content measurements over China

    Science.gov (United States)

    Li, Min; Yuan, Yunbin; Zhang, Baocheng; Wang, Ningbo; Li, Zishen; Liu, Xifeng; Zhang, Xiao

    2018-02-01

    The ionosphere effective height (IEH) is a very important parameter in total electron content (TEC) measurements under the widely used single-layer model assumption. To overcome the requirement of a large amount of simultaneous vertical and slant ionospheric observations or dense "coinciding" pierce points data, a new approach comparing the converted vertical TEC (VTEC) value using mapping function based on a given IEH with the "ground truth" VTEC value provided by the combined International GNSS Service Global Ionospheric Maps is proposed for the determination of the optimal IEH. The optimal IEH in the Chinese region is determined using three different methods based on GNSS data. Based on the ionosonde data from three different locations in China, the altitude variation of the peak electron density (hmF2) is found to have clear diurnal, seasonal and latitudinal dependences, and the diurnal variation of hmF2 varies from approximately 210 to 520 km in Hainan. The determination of the optimal IEH employing the inverse method suggested by Birch et al. (Radio Sci 37, 2002. doi: 10.1029/2000rs002601) did not yield a consistent altitude in the Chinese region. Tests of the method minimizing the mapping function errors suggested by Nava et al. (Adv Space Res 39:1292-1297, 2007) indicate that the optimal IEH ranges from 400 to 600 km, and the height of 450 km is the most frequent IEH at both high and low solar activities. It is also confirmed that the IEH of 450-550 km is preferred for the Chinese region instead of the commonly adopted 350-450 km using the determination method of the optimal IEH proposed in this paper.

  13. Electronic and optical properties of vacancy defects in single-layer transition metal dichalcogenides

    Science.gov (United States)

    Khan, M. A.; Erementchouk, Mikhail; Hendrickson, Joshua; Leuenberger, Michael N.

    2017-06-01

    A detailed first-principles study has been performed to evaluate the electronic and optical properties of single-layer (SL) transition metal dichalcogenides (TMDCs) (M X 2 ; M = transition metal such as Mo, W, and X = S, Se, Te), in the presence of vacancy defects (VDs). Defects usually play an important role in tailoring electronic, optical, and magnetic properties of semiconductors. We consider three types of VDs in SL TMDCs: (i) X vacancy, (ii) X2 vacancy, and (iii) M vacancy. We show that VDs lead to localized defect states (LDS) in the band structure, which in turn gives rise to sharp transitions in in-plane and out-of-plane optical susceptibilities, χ∥ and χ⊥. The effects of spin-orbit coupling (SOC) are also considered. We find that SOC splitting in LDS is directly related to the atomic number of the transition metal atoms. Apart from electronic and optical properties we also find magnetic signatures (local magnetic moment of ˜μB ) in MoSe2 in the presence of the Mo vacancy, which breaks the time-reversal symmetry and therefore lifts the Kramers degeneracy. We show that a simple qualitative tight-binding model (TBM), involving only the hopping between atoms surrounding the vacancy with an on-site SOC term, is sufficient to capture the essential features of LDS. In addition, the existence of the LDS can be understood from the solution of the two-dimensional Dirac Hamiltonian by employing infinite mass boundary conditions. In order to provide a clear description of the optical absorption spectra, we use group theory to derive the optical selection rules between LDS for both χ∥ and χ⊥.

  14. Structure and Electronic Properties of In Situ Synthesized Single-Layer MoS2 on a Gold Surface

    DEFF Research Database (Denmark)

    Sørensen, Signe Grønborg; Füchtbauer, Henrik Gøbel; Tuxen, Anders Kyrme

    2014-01-01

    with scanning tunneling microscopy and X-ray photoelectron spectroscopy characterization of two-dimensional single-layer islands of MoS2 synthesized directly on a gold single crystal substrate. Thanks to a periodic modulation of the atom stacking induced by the lattice mismatch, we observe a structural buckling...... structure appears modified at the band gap edges. This electronic effect is further modulated by the moiré periodicity and leads to small substrate-induced electronic perturbations near the conduction band minimum in the band gap of MoS2. The results may be highly relevant in the context of nanopatterned......When transition metal sulfides such as MoS2 are present in the single-layer form, the electronic properties change in fundamental ways, enabling them to be used, e.g., in two-dimensional semiconductor electronics, optoelectronics, and light harvesting. The change is related to a subtle modification...

  15. Rate of Molecular Transfer of Allyl Alcohol across an AOT Surfactant Layer Using Muon Spin Spectroscopy.

    Science.gov (United States)

    Jayasooriya, Upali A; Clayden, Nigel J; Steytler, David C; Oganesyan, Vasily S; Peck, Jamie N T; Khasanov, Rustem; Scheuermann, Robert; Stoykov, Alexey

    2016-01-26

    The transfer rate of a probe molecule across the interfacial layer of a water-in-oil (w/o) microemulsion was investigated using a combination of transverse field muon spin rotation (TF-μSR), avoided level crossing muon spin resonance (ALC-μSR), and Monte Carlo simulations. Reverse microemulsions consist of nanometer-sized water droplets dispersed in an apolar solvent separated by a surfactant monolayer. Although the thermodynamic, static model of these systems has been well described, our understanding of their dynamics is currently incomplete. For example, what is the rate of solute transfer between the aqueous and apolar solvents, and how this is influenced by the structure of the interface? With an appropriate choice of system and probe molecule, μSR offers a unique opportunity to directly probe these interfacial transfer dynamics. Here, we have employed a well characterized w/o microemulsion stabilized by bis(2-ethylhexyl) sodium sulfosuccinate (Aerosol OT), with allyl alcohol (CH2═CH-CH2-OH, AA) as the probe. Resonances due to both muoniated radicals, CMuH2-C*H-CH2-OH and C*H2-CHMu-CH2-OH, were observed with the former being the dominant species. All resonances displayed solvent dependence, with those in the microemulsion observed as a single resonance located at intermediate magnetic fields to those present in either of the pure solvents. Observation of a single resonance is strong evidence for interfacial transfer being in the fast exchange limit. Monte Carlo calculations of the ΔM = 0 ALC resonances are consistent with the experimental data, indicating exchange rates greater than 10(9) s(-1), placing the rate of interfacial transfer at the diffusion limit.

  16. Molecular investigation of evaporation of biodroplets containing single-strand DNA on graphene surface.

    Science.gov (United States)

    Akbari, Fahimeh; Foroutan, Masumeh

    2018-02-14

    In this study, the water droplet behaviour of four different types of single-strand DNA with homogeneous base sequence on a graphene substrate during evaporation of the droplet was investigated using molecular dynamics (MD) simulation. The simulation results indicated that the evaporation depended on the DNA sequence. The observed changes can be divided into four parts: (i) vaporization mode, (ii) evaporation flux, (iii) mechanism of single-strand placement on the surface, and (iv) consideration of remaining single strands after evaporation. Our simulation observations indicated different evaporation modes for thymine biodroplets as compared to those for other biodroplets. The evaporation of the thymine biodroplets occurred with an increase in the contact angle, while that of the other biodroplets occur in a constant contact angle mode. Moreover, thymine biodroplets generate the lowest contact line compared to other single strands, and it is always placed far away from the centre of the droplets during evaporation. Investigating variations in the evaporation flux shows that thymine has the highest evaporation flux and guanine has the lowest. Moreover, during initial evaporation, the flux of evaporation increases at the triple point of the biodroplets containing thymine single strands, while it decreases in the other biodroplets. The following observation was obtained from the study of the placement of single strands on the substrate: guanine and thymine interacted slower than other single strands during evaporation with graphene, adenine single strand had a higher folding during evaporation, and guanine single strand showed the lowest end-to-end distance. The investigation of single-strand DNA after evaporation shows that adenine produces the most stable structure at the end of evaporation. In addition, cytosine is the most stretched single-strand DNA due to its lack of internal π-π stacking and hydrogen bonding. Therefore, cytosine single strand is more

  17. Temporal and spatial evolution characteristics of disturbance wave in a hypersonic boundary layer due to single-frequency entropy disturbance.

    Science.gov (United States)

    Wang, Zhenqing; Tang, Xiaojun; Lv, Hongqing; Shi, Jianqiang

    2014-01-01

    By using a high-order accurate finite difference scheme, direct numerical simulation of hypersonic flow over an 8° half-wedge-angle blunt wedge under freestream single-frequency entropy disturbance is conducted; the generation and the temporal and spatial nonlinear evolution of boundary layer disturbance waves are investigated. Results show that, under the freestream single-frequency entropy disturbance, the entropy state of boundary layer is changed sharply and the disturbance waves within a certain frequency range are induced in the boundary layer. Furthermore, the amplitudes of disturbance waves in the period phase are larger than that in the response phase and ablation phase and the frequency range in the boundary layer in the period phase is narrower than that in these two phases. In addition, the mode competition, dominant mode transformation, and disturbance energy transfer exist among different modes both in temporal and in spatial evolution. The mode competition changes the characteristics of nonlinear evolution of the unstable waves in the boundary layer. The development of the most unstable mode along streamwise relies more on the motivation of disturbance waves in the upstream than that of other modes on this motivation.

  18. Hydrogen intercalation of single and multiple layer graphene synthesized on Si-terminated SiC(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Sołtys, Jakub; Piechota, Jacek; Ptasinska, Maria [Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland); Krukowski, Stanisław, E-mail: stach@unipress.waw.pl [Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw, Pawińskiego 5a, 02-106 Warsaw (Poland); Institute of High Pressure Physics, Polish Academy of Sciences, Sokołowska 29/37, 01-142 Warsaw (Poland)

    2014-08-28

    Ab initio density functional theory simulations were used to investigate the influence of hydrogen intercalation on the electronic properties of single and multiple graphene layers deposited on the SiC(0001) surface (Si-face). It is shown that single carbon layer, known as a buffer layer, covalently bound to the SiC substrate, is liberated after hydrogen intercalation, showing characteristic Dirac cones in the band structure. This is in agreement with the results of angle resolved photoelectron spectroscopy measurements of hydrogen intercalation of SiC-graphene samples. In contrast to that hydrogen intercalation has limited impact on the multiple sheet graphene, deposited on Si-terminated SiC surface. The covalently bound buffer layer is liberated attaining its graphene like structure and dispersion relation typical for multilayer graphene. Nevertheless, before and after intercalation, the four layer graphene preserved the following dispersion relations in the vicinity of K point: linear for (AAAA) stacking, direct parabolic for Bernal (ABAB) stacking and “wizard hat” parabolic for rhombohedral (ABCA) stacking.

  19. Single-Copy Genes as Molecular Markers for Phylogenomic Studies in Seed Plants.

    Science.gov (United States)

    Li, Zhen; De La Torre, Amanda R; Sterck, Lieven; Cánovas, Francisco M; Avila, Concepción; Merino, Irene; Cabezas, José Antonio; Cervera, María Teresa; Ingvarsson, Pär K; Van de Peer, Yves

    2017-05-01

    Phylogenetic relationships among seed plant taxa, especially within the gymnosperms, remain contested. In contrast to angiosperms, for which several genomic, transcriptomic and phylogenetic resources are available, there are few, if any, molecular markers that allow broad comparisons among gymnosperm species. With few gymnosperm genomes available, recently obtained transcriptomes in gymnosperms are a great addition to identifying single-copy gene families as molecular markers for phylogenomic analysis in seed plants. Taking advantage of an increasing number of available genomes and transcriptomes, we identified single-copy genes in a broad collection of seed plants and used these to infer phylogenetic relationships between major seed plant taxa. This study aims at extending the current phylogenetic toolkit for seed plants, assessing its ability for resolving seed plant phylogeny, and discussing potential factors affecting phylogenetic reconstruction. In total, we identified 3,072 single-copy genes in 31 gymnosperms and 2,156 single-copy genes in 34 angiosperms. All studied seed plants shared 1,469 single-copy genes, which are generally involved in functions like DNA metabolism, cell cycle, and photosynthesis. A selected set of 106 single-copy genes provided good resolution for the seed plant phylogeny except for gnetophytes. Although some of our analyses support a sister relationship between gnetophytes and other gymnosperms, phylogenetic trees from concatenated alignments without 3rd codon positions and amino acid alignments under the CAT + GTR model, support gnetophytes as a sister group to Pinaceae. Our phylogenomic analyses demonstrate that, in general, single-copy genes can uncover both recent and deep divergences of seed plant phylogeny. © The Author(s) 2017. Published by Oxford University Press on behalf of the Society for Molecular Biology and Evolution.

  20. Single-layer ZnS supported on Au(111): A combined XPS, LEED, STM and DFT study

    Science.gov (United States)

    Deng, Xingyi; Sorescu, Dan C.; Lee, Junseok

    2017-04-01

    Single-layer of ZnS, consisting of one atomic layer of ZnS(111) plane, has been grown on Au(111) and characterized using X-ray photoelectron spectroscopy (XPS), low energy electron diffraction (LEED) and scanning tunneling microscopy (STM). While the LEED measurement indicates a coincidence structure of ZnS-(3×3)/Au(111)-(4×4), high resolution STM images reveal hexagonal unit cells of 6.7×6.7 Å2 and 11.6×11.6 Å2, corresponding to √3 and 3 times the unit cell of the ideal zincblende ZnS-(1×1), respectively, depending on the tunneling conditions. Calculations based on density functional theory (DFT) indicate a significantly reconstructed non-planar structure of ZnS single-layer on Au(111) with 2/3 of the S anions being located nearly in the plane of the Zn cations and the rest 1/3 of the S anions protruding above the Zn plane. The calculated STM image shows similar characteristics to those of the experimental STM image. Additionally, the DFT calculations reveal the different bonding nature of the S anions in ZnS single-layer supported on Au(111).

  1. Comparison of light out-coupling enhancements in single-layer blue-phosphorescent organic light emitting diodes using small-molecule or polymer hosts

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Yung-Ting [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China); Liu, Shun-Wei [Department of Electronic Engineering, Mingchi University of Technology, New Taipei, Taiwan 24301, Taiwan (China); Yuan, Chih-Hsien; Lee, Chih-Chien [Department of Electronic Engineering, National Taiwan University of Science and Technology, Taipei, Taiwan 10607, Taiwan (China); Ho, Yu-Hsuan; Wei, Pei-Kuen [Research Center for Applied Science Academia Sinica, Taipei, Taiwan 11527, Taiwan (China); Chen, Kuan-Yu [Chilin Technology Co., LTD, Tainan City, Taiwan 71758, Taiwan (China); Lee, Yi-Ting; Wu, Min-Fei; Chen, Chin-Ti, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Institute of Chemistry, Academia Sinica, Taipei, Taiwan 11529, Taiwan (China); Wu, Chih-I, E-mail: cchen@chem.sinica.edu.tw, E-mail: chihiwu@cc.ee.ntu.edu.tw [Department of Electrical Engineering, Graduate Institute of Photonics and Optoelectronics, National Taiwan University, Taipei, Taiwan 10617, Taiwan (China)

    2013-11-07

    Single-layer blue phosphorescence organic light emitting diodes (OLEDs) with either small-molecule or polymer hosts are fabricated using solution process and the performances of devices with different hosts are investigated. The small-molecule device exhibits luminous efficiency of 14.7 cd/A and maximum power efficiency of 8.39 lm/W, which is the highest among blue phosphorescence OLEDs with single-layer solution process and small molecular hosts. Using the same solution process for all devices, comparison of light out-coupling enhancement, with brightness enhancement film (BEF), between small-molecule and polymer based OLEDs is realized. Due to different dipole orientation and anisotropic refractive index, polymer-based OLEDs would trap less light than small molecule-based OLEDs internally, about 37% better based simulation results. In spite of better electrical and spectroscopic characteristics, including ambipolar characteristics, higher carrier mobility, higher photoluminescence quantum yield, and larger triplet state energy, the overall light out-coupling efficiency of small molecule-based devices is worse than that of polymer-based devices without BEF. However, with BEF for light out-coupling enhancement, the improved ratio in luminous flux and luminous efficiency for small molecule based device is 1.64 and 1.57, respectively, which are significantly better than those of PVK (poly-9-vinylcarbazole) devices. In addition to the theoretical optical simulation, the experimental data also confirm the origins of differential light-outcoupling enhancement. The maximum luminous efficiency and power efficiency are enhanced from 14.7 cd/A and 8.39 lm/W to 23 cd/A and 13.2 lm/W, respectively, with laminated BEF, which are both the highest so far for single-layer solution-process blue phosphorescence OLEDs with small molecule hosts.

  2. Surface engineering of zirconium particles by molecular layer deposition: Significantly enhanced electrostatic safety at minimum loss of the energy density

    Science.gov (United States)

    Qin, Lijun; Yan, Ning; Hao, Haixia; An, Ting; Zhao, Fengqi; Feng, Hao

    2018-04-01

    Because of its high volumetric heat of oxidation, Zr powder is a promising high energy fuel/additive for rocket propellants. However, the application of Zr powder is restricted by its ultra-high electrostatic discharge sensitivity, which poses great hazards for handling, transportation and utilization of this material. By performing molecular layer deposition of polyimide using 1,2,4,5-benzenetetracarboxylic anhydride and ethylenediamine as the precursors, Zr particles can be uniformly encapsulated by thin layers of the polymer. The thicknesses of the encapsulation layers can be precisely controlled by adjusting the number of deposition cycle. High temperature annealing converts the polymer layer into a carbon coating. Results of thermal analyses reveal that the polymer or carbon coatings have little negative effect on the energy release process of the Zr powder. By varying the thickness of the polyimide or carbon coating, electrostatic discharge sensitivity of the Zr powder can be tuned in a wide range and its uncontrolled ignition hazard can be virtually eliminated. This research demonstrates the great potential of molecular layer deposition in effectively modifying the surface properties of highly reactive metal based energetic materials with minimum sacrifices of their energy densities.

  3. Nanoscale heterostructures with molecular-scale single-crystal metal wires.

    Science.gov (United States)

    Kundu, Paromita; Halder, Aditi; Viswanath, B; Kundu, Dipan; Ramanath, Ganpati; Ravishankar, N

    2010-01-13

    Creating nanoscale heterostructures with molecular-scale (synthesis of nanoscale heterostructures with single-crystal molecular-scale Au nanowires attached to different nanostructure substrates. Our method involves the formation of Au nanoparticle seeds by the reduction of rocksalt AuCl nanocubes heterogeneously nucleated on the substrates and subsequent nanowire growth by oriented attachment of Au nanoparticles from the solution phase. Nanoscale heterostructures fabricated by such site-specific nucleation and growth are attractive for many applications including nanoelectronic device wiring, catalysis, and sensing.

  4. Self-assembly surface modified indium-tin oxide anodes for single-layer light-emitting diodes

    CERN Document Server

    Morgado, J; Charas, A; Matos, M; Alcacer, L; Cacialli, F

    2003-01-01

    We study the effect of indium-tin oxide surface modification by self assembling of highly polar molecules on the performance of single-layer light-emitting diodes (LEDs) fabricated with polyfluorene blends and aluminium cathodes. We find that the efficiency and light-output of such LEDs is comparable to, and sometimes better than, the values obtained for LEDs incorporating a hole injection layer of poly(3,4-ethylene dioxythiophene) doped with polystyrene sulphonic acid. This effect is attributed to the dipole-induced work function modification of indium-tin oxide.

  5. Thin film complementary metal oxide semiconductor (CMOS) device using a single-step deposition of the channel layer

    KAUST Repository

    Nayak, Pradipta K.

    2014-04-14

    We report, for the first time, the use of a single step deposition of semiconductor channel layer to simultaneously achieve both n-and p-type transport in transparent oxide thin film transistors (TFTs). This effect is achieved by controlling the concentration of hydroxyl groups (OH-groups) in the underlying gate dielectrics. The semiconducting tin oxide layer was deposited at room temperature, and the maximum device fabrication temperature was 350C. Both n and p-type TFTs showed fairly comparable performance. A functional CMOS inverter was fabricated using this novel scheme, indicating the potential use of our approach for various practical applications.

  6. Self-assembly surface modified indium-tin oxide anodes for single-layer light-emitting diodes

    Energy Technology Data Exchange (ETDEWEB)

    Morgado, Jorge [Instituto de Telecomunicacoes and Departamento de Engenharia Quimica, Instituto Superior Tecnico, Avenida Rovisco Pais, P-1049-001 Lisbon (Portugal); Barbagallo, Nunzio [Instituto de Telecomunicacoes and Departamento de Engenharia Quimica, Instituto Superior Tecnico, Avenida Rovisco Pais, P-1049-001 Lisbon (Portugal); Charas, Ana [Instituto de Telecomunicacoes and Departamento de Engenharia Quimica, Instituto Superior Tecnico, Avenida Rovisco Pais, P-1049-001 Lisbon (Portugal); Matos, Manuel [Departamento de Engenharia Quimica, Instituto Superior de Engenharia de Lisboa, Rua Conselheiro Emidio Navarro-1, P-1949-001 Lisbon (Portugal); Alcacer, Luis [Instituto de Telecomunicacoes and Departamento de Engenharia Quimica, Instituto Superior Tecnico, Avenida Rovisco Pais, P-1049-001 Lisbon (Portugal); Cacialli, Franco [Department of Physics and Astronomy, University College London, Gower Street, London, WC1E 6BT (United Kingdom)

    2003-03-07

    We study the effect of indium-tin oxide surface modification by self assembling of highly polar molecules on the performance of single-layer light-emitting diodes (LEDs) fabricated with polyfluorene blends and aluminium cathodes. We find that the efficiency and light-output of such LEDs is comparable to, and sometimes better than, the values obtained for LEDs incorporating a hole injection layer of poly(3,4-ethylene dioxythiophene) doped with polystyrene sulphonic acid. This effect is attributed to the dipole-induced work function modification of indium-tin oxide.

  7. Molecular analysis of desmoid tumors with a high-density single-nucleotide polymorphism array identifies new molecular candidate lesions.

    Science.gov (United States)

    Erben, Philipp; Nowak, Daniel; Sauer, Christian; Ströbel, Philipp; Hofmann, Wolf-Karsten; Hofheinz, Ralf-Dieter; Hohenberger, Peter; Kasper, Bernd

    2012-01-01

    Desmoid tumors are neoplastic proliferations of connective tissues. The mutation status of the gene coding for catenin (cadherin-associated protein) beta 1 (CTNNB1) and trisomy 8 on the chromosomal level have been described to have prognostic relevance. In order to elucidate new molecular mechanisms underlying these tumors, we carried out a molecular analysis with a genome-wide human high-density single-nucleotide polymorphism (SNP) array, in 9 patients. Single samples showed numerical aberrations on chromosomes (Chrs) 20 and 6 with either trisomy 20 or monosomy 6. No trisomy 8 could be detected. Recurrent heterozygous deletions were found in Chr 5q (including the APC gene locus, n = 3) and Chr 8p23 (n = 4, containing coding regions for the potential tumor suppressor gene CSMD1). This novel deletion in 8p23 showed an association with local recurrence. In addition, structural chromosomal changes (gain of Chrs 8 and 20) were found in a minority of cases. The genomic alteration affecting the candidate gene CSMD1 could be important in the development of desmoid tumors.

  8. Development of efficient electrocatalysts via molecular hybridization of NiMn layered double hydroxide nanosheets and graphene

    Science.gov (United States)

    Ma, Wei; Ma, Renzhi; Wu, Jinghua; Sun, Pengzhan; Liu, Xiaohe; Zhou, Kechao; Sasaki, Takayoshi

    2016-05-01

    Ni2+Mn3+ layered double hydroxide (LDH) nanoplatelets have been hydrothermally synthesized in a homogeneous precipitation of mixed Ni2+/Mn2+ salts at a molar ratio of 2 : 1 via the hydrolysis of hexamethylenetetramine (HMT) and in situ oxidation with H2O2. After anion-exchange, NiMn LDH was exfoliated into unilamellar nanosheets. Subsequent flocculation of NiMn LDH nanosheets with (reduced) graphene oxide (GO/rGO) into superlattice composites was achieved and further tested as electrocatalysts for oxygen evolution reaction (OER). The face-to-face heteroassembly of NiMn LDH nanosheets with conductive rGO at an alternating sequence resulted in a small overpotential of 0.26 V and a Tafel slope of 46 mV per decade, which is much superior to as-exfoliated nanosheets. The analyses of electrochemical activity surface area (ECSA) and impedance spectra clearly indicated that the superlattice structure was ideal in facilitating the migration/transfer of the charge and reactants, revealing the electrochemical energetics and mechanism behind the synergistic effect arising from molecular hybridization. The proof of concept toward total water splitting using the newly developed hybrid electrocatalyst was demonstrated by an electrolysis cell powered by a single AA battery.Ni2+Mn3+ layered double hydroxide (LDH) nanoplatelets have been hydrothermally synthesized in a homogeneous precipitation of mixed Ni2+/Mn2+ salts at a molar ratio of 2 : 1 via the hydrolysis of hexamethylenetetramine (HMT) and in situ oxidation with H2O2. After anion-exchange, NiMn LDH was exfoliated into unilamellar nanosheets. Subsequent flocculation of NiMn LDH nanosheets with (reduced) graphene oxide (GO/rGO) into superlattice composites was achieved and further tested as electrocatalysts for oxygen evolution reaction (OER). The face-to-face heteroassembly of NiMn LDH nanosheets with conductive rGO at an alternating sequence resulted in a small overpotential of 0.26 V and a Tafel slope of 46 mV per decade

  9. Molecular Beam Epitaxy of GaSb on GaAs Substrates with AlSb Buffer Layers

    International Nuclear Information System (INIS)

    Zhi-Qiang, Zhou; Ying-Qiang, Xu; Rui-Ting, Hao; Bao, Tang; Zheng-Wei, Ren; Zhi-Chuan, Niu

    2009-01-01

    We investigate the molecular beam epitaxy growth of GaSb films on GaAs substrates using AlSb buffer layers. Optimization of AlSb growth parameter is aimed at obtaining high GaSb crystal quality and smooth GaSb surface. The optimized growth temperature and thickness of AlSb layers are found to be 450° C and 2.1 nm, respectively. A rms surface roughness of 0.67nm over 10 × 10 μm 2 is achieved as a 0.5μm GaSb film is grown under optimized conditions

  10. Molecular-crowding effects on single-molecule RNA folding/unfolding thermodynamics and kinetics

    Science.gov (United States)

    Dupuis, Nicholas F.; Holmstrom, Erik D.; Nesbitt, David J.

    2014-01-01

    The effects of “molecular crowding” on elementary biochemical processes due to high solute concentrations are poorly understood and yet clearly essential to the folding of nucleic acids and proteins into correct, native structures. The present work presents, to our knowledge, first results on the single-molecule kinetics of solute molecular crowding, specifically focusing on GAAA tetraloop–receptor folding to isolate a single RNA tertiary interaction using time-correlated single-photon counting and confocal single-molecule FRET microscopy. The impact of crowding by high–molecular-weight polyethylene glycol on the RNA folding thermodynamics is dramatic, with up to ΔΔG° ∼ −2.5 kcal/mol changes in free energy and thus >60-fold increase in the folding equilibrium constant (Keq) for excluded volume fractions of 15%. Most importantly, time-correlated single-molecule methods permit crowding effects on the kinetics of RNA folding/unfolding to be explored for the first time (to our knowledge), which reveal that this large jump in Keq is dominated by a 35-fold increase in tetraloop–receptor folding rate, with only a modest decrease in the corresponding unfolding rate. This is further explored with temperature-dependent single-molecule RNA folding measurements, which identify that crowding effects are dominated by entropic rather than enthalpic contributions to the overall free energy change. Finally, a simple “hard-sphere” treatment of the solute excluded volume is invoked to model the observed kinetic trends, and which predict ΔΔG° ∼ −5 kcal/mol free-energy stabilization at excluded volume fractions of 30%. PMID:24850865

  11. A Comprehensive Experiment for Molecular Biology: Determination of Single Nucleotide Polymorphism in Human REV3 Gene Using PCR-RFLP

    Science.gov (United States)

    Zhang, Xu; Shao, Meng; Gao, Lu; Zhao, Yuanyuan; Sun, Zixuan; Zhou, Liping; Yan, Yongmin; Shao, Qixiang; Xu, Wenrong; Qian, Hui

    2017-01-01

    Laboratory exercise is helpful for medical students to understand the basic principles of molecular biology and to learn about the practical applications of molecular biology. We have designed a lab course on molecular biology about the determination of single nucleotide polymorphism (SNP) in human REV3 gene, the product of which is a subunit of…

  12. A molecular ruler based on plasmon coupling of single gold andsilver nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Sonnichsen, Carsten; Reinhard, Bjorn M.; Liphardt, Jan; Alivisatos, A. Paul

    2005-05-22

    Molecular rulers based on Foerster Resonance Energy Transfer (FRET) that report conformational changes and intramolecular distances of single biomolecules have helped to understand important biological processes. However, these rulers suffer from low and fluctuating signal intensities from single dyes and limited observation time due to photobleaching. The plasmon resonance in noble metal particles has been suggested as an alternative probe to overcome the limitations of organic fluorophores and the coupling of plasmons in nearby particles has been exploited to detect particle aggregation by a distinct color change in bulk experiments. Here we demonstrate that plasmon coupling can be used to monitor distances between single pairs of gold and silver nanoparticles. We use this effect to follow the directed assembly of gold and silver nanoparticle dimers in real time and to study the time dynamics of single DNA hybridization events. These ''plasmon rulers'' allowed us to continuously monitor separations of up to 70 nm for more than 3000 seconds. Single molecule in vitro studies of biological processes previously inaccessible with fluorescence based molecular rulers are enabled with plasmon rulers with extended time and distance range.

  13. Reversible Single-Crystal-to-Single-Crystal Structural Transformation in a Mixed-Ligand 2D Layered Metal-Organic Framework: Structural Characterization and Sorption Study

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-12-01

    Full Text Available A 3D supramolecular network, [Cd(bipy(C4O4(H2O2]·3H2O (1 (bipy = 4,4′-bipyridine and C4O42− = dianion of H2C4O4, constructed by mixed-ligand two-dimensional (2D metal-organic frameworks (MOFs has been reported and structurally determined by the single-crystal X-ray diffraction method and characterized by other physicochemical methods. In 1, the C4O42− and bipy both act as bridging ligands connecting the Cd(II ions to form a 2D layered MOF, which are then extended to a 3D supramolecular network via the mutually parallel and interpenetrating arrangements among the 2D-layered MOFs. Compound 1 shows a two-step dehydration process with weight losses of 11.0% and 7.3%, corresponding to the weight-loss of three guest and two coordinated water molecules, respectively, and exhibits an interesting reversible single-crystal-to-single-crystal (SCSC structural transformation upon de-hydration and re-hydration for guest water molecules. The SCSC structural transformation have been demonstrated and monitored by single-crystal and X-ray powder diffraction, and thermogravimetic analysis studies.

  14. Macroscopic quantum coherence in a single molecular magnet and Kondo effect of electron transport

    International Nuclear Information System (INIS)

    Chang, Bo; Wang, Qiang; Xie, Haiqing; Liang, J.-Q.

    2011-01-01

    We report a Kondo-effect study of electron transport through a quantum dot with embedded biaxial single-molecule magnet based on slave boson mean-field theory and non-equilibrium Green-function technique. It is found the macroscopic quantum coherence of molecule-magnet results in the Kondo peak split of differential conductance due to interaction between electron and molecular magnet. It is also demonstrated that both the peak height and position can be controlled by the sweeping magnetic field and polarization of ferromagnetic electrodes. The characteristic peak split may be used to identify the macroscopic quantum coherence and develop molecule devices. -- Highlights: → Splits of Kondo peak are induced by the single molecular magnet. → Kondo effect can be controlled by magnetic field and its sweeping speed in our model. → The suppression and broadening of Kondo peaks is also observed with increase of temperature. → The peaks height and position is sensitive to polarization of the electrode.

  15. Comparison of Single-Layer and Double-Layer Anti-Reflection Coatings Using Laser-Induced Damage Threshold and Photothermal Common-Path Interferometry

    Directory of Open Access Journals (Sweden)

    Caspar Clark

    2016-05-01

    Full Text Available The dielectric thin-film coating on high-power optical components is often the weakest region and will fail at elevated optical fluences. A comparison of single-layer coatings of ZrO2, LiF, Ta2O5, SiN, and SiO2 along with anti-reflection (AR coatings optimized at 1064 nm comprised of ZrO2 and Ta2O5 was made, and the results of photothermal common-path interferometry (PCI and a laser-induced damage threshold (LIDT are presented here. The coatings were grown by radio frequency (RF sputtering, pulsed direct-current (DC sputtering, ion-assisted electron beam evaporation (IAD, and thermal evaporation. Test regimes for LIDT used pulse durations of 9.6 ns at 100 Hz for 1000-on-1 and 1-on-1 regimes at 1064 nm for single-layer and AR coatings, and 20 ns at 20 Hz for a 200-on-1 regime to compare the //ZrO2/SiO2 AR coating.

  16. Enhanced luminance of MEH-PPV based PLEDs using single walled carbon nanotube composite as an electron transporting layer

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Inderpreet, E-mail: inderpreetsingh_05@rediffmail.co [Materials Laboratory, Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi 110021 (India); Madhwal, Devinder; Verma, A.; Kumar, A.; Rait, S. [Materials Laboratory, Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi 110021 (India); Kaur, I.; Bharadwaj, L.M. [Central Scientific Instruments Organization, Sector-30, Chandigarh (India); Bhatia, C.S. [Department of Electrical and Computer Engineering, National University of Singapore (Singapore); Bhatnagar, P.K.; Mathur, P.C. [Materials Laboratory, Department of Electronic Science, University of Delhi South Campus, Benito Juarez Road, New Delhi 110021 (India)

    2010-11-15

    An efficient electron transporting layer (ETL) based on single walled carbon nanotube (SWCNT) composites has been developed for poly [2-methoxy-5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] (MEH-PPV) based orange polymer light emitting diodes (PLEDs) and its effect on the performance of PLEDs has been examined. It is observed that with increase in SWCNT concentration, in ETL, the luminance and luminous efficiency of the PLEDs increase (about 5 times increase in luminance is observed at 5% w/w SWCNT concentration). The SWCNTs present in the MEH-PPV ETL boost the mobility of electrons injected from the cathode towards the emissive layer by establishing highly conducting percolation paths. This balances the concentration of holes and electrons in the emissive layer, which leads to enhanced emission from the PLEDs.

  17. Efficient polymer white-light-emitting diodes with a single-emission layer of fluorescent polymer blend

    International Nuclear Information System (INIS)

    Niu Qiaoli; Xu Yunhua; Jiang Jiaxing; Peng Junbiao; Cao Yong

    2007-01-01

    Efficient polymer white-light-emitting diodes (WPLEDs) have been fabricated with a single layer of fluorescent polymer blend. The device structure consists of ITO/PEDOT/PVK/emissive layer/Ba/Al. The emissive layer is a blend of poly(9,9-dioctylfluorene) (PFO), phenyl-substituted PPV derivative (P-PPV) and a copolymer of 9,9-dioctylfluorene and 4,7-di(4-hexylthien-2-yl)-2,1,3-benzothiadiazole (PFO-DHTBT), which, respectively, emits blue, green and red light. The emission of pure and efficient white light was implemented by tuning the blend weight ratio of PFO: P-PPV: PFO-DHTBT to 96:4:0.4. The maximum current efficiency and luminance are, respectively, 7.6 cd/A at 6.7 V and 11930 cd/m 2 at 11.2 V. The CIE coordinates of white-light emission were stable with the drive voltages

  18. Molecular scale buckling mechanics in individual aligned single-wall carbon nanotubes on elastomeric substrates.

    Science.gov (United States)

    Khang, Dahl-Young; Xiao, Jianliang; Kocabas, Coskun; MacLaren, Scott; Banks, Tony; Jiang, Hanqing; Huang, Yonggang Y; Rogers, John A

    2008-01-01

    We have studied the scaling of controlled nonlinear buckling processes in materials with dimensions in the molecular range (i.e., approximately 1 nm) through experimental and theoretical studies of buckling in individual single-wall carbon nanotubes on substrates of poly(dimethylsiloxane). The results show not only the ability to create and manipulate patterns of buckling at these molecular scales, but also, that analytical continuum mechanics theory can explain, quantitatively, all measurable aspects of this system. Inverse calculation applied to measurements of diameter-dependent buckling wavelengths yields accurate values of the Young's moduli of individual SWNTs. As an example of the value of this system beyond its use in this type of molecular scale metrology, we implement parallel arrays of buckled SWNTs as a class of mechanically stretchable conductor.

  19. Single and double charge transfer in Be/sup 4+/+He collisions: A molecular (Feshbach) approach

    Energy Technology Data Exchange (ETDEWEB)

    Martin, F.; Riera, A.; Yaez, M.

    1986-12-01

    In recent articles, we pointed out the fundamental difference between the molecular treatment of processes involving a multicharged ion and hydrogen or helium atoms, which is the (formal) autoionizing character of the molecular channels, and we reported a (new) implementation of the Feshbach method to calculate the molecular energies and couplings. In the present work we use the wave functions calculated with this Feshbach method for the BeHe/sup 4+/ quasimolecule, introduce a common translation factor in the formalism, and calculate the single and double charge-exchange cross sections in Be/sup 4+/+He(1s/sup 2/) collisions for impact energies 0.2--20 keV/amu. The mechanisms of the processes are discussed in detail.

  20. Quantum Tunneling of Magnetization in Single Molecular Magnets Coupled to Ferromagnetic Reservoirs

    OpenAIRE

    Misiorny, Maciej; Barnas, Józef

    2006-01-01

    The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization (QTM). The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction with tunneling electrons is shown to affect the spin reversal due to QTM. ...

  1. Magnetic Switching of a Single Molecular Magnet due to Spin-Polarized Current

    OpenAIRE

    Misiorny, Maciej; Barnas, Józef

    2006-01-01

    Magnetic switching of a single molecular magnet (SMM) due to spin-polarized current flowing between ferromagnetic metallic electrodes is investigated theoretically. Magnetic moments of the electrodes are assumed to be collinear and parallel to the magnetic easy axis of the molecule. Electrons tunneling through a barrier between magnetic leads are coupled to the SMM via exchange interaction. The current flowing through the system as well as the spin relaxation times of the SMM are calculated f...

  2. Pumping $ac$ Josephson current in the Single Molecular Magnets by spin nutation

    OpenAIRE

    Abdollahipour, B.; Abouie, J.; Rostami, A. A.

    2012-01-01

    We demonstrate that an {\\it ac} Josephson current is pumped through the Single Molecular Magnets (SMM) by the spin nutation. The spin nutation is generated by applying a time dependent magnetic field to the SMM. We obtain the flowing charge current through the junction by working in the tunneling limit and employing Green's function technique. At the resonance conditions some discontinuities and divergencies are appeared in the normal and Josephson currents, respectively. Such discontinuities...

  3. Deuteron NMR resolved mesogen vs. crosslinker molecular order and reorientational exchange in liquid single crystal elastomers

    Czech Academy of Sciences Publication Activity Database

    Milavec, J.; Domenici, V.; Zupančič, B.; Rešetič, A.; Bubnov, Alexej; Zalar, B.

    2016-01-01

    Roč. 18, č. 5 (2016), s. 4071-4077 ISSN 1463-9076 R&D Projects: GA ČR GA15-02843S; GA MŠk(CZ) LD14007 Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid single crystal elastomer * NMR * liquid crystal * molecular order * monomers Subject RIV: JJ - Other Materials Impact factor: 4.123, year: 2016

  4. Peculiarities of superconductivity in the single-layer FeSe /SrTi O3 interface

    Science.gov (United States)

    Gor'kov, Lev P.

    2016-02-01

    Observation of replica bands in the angle-resolved photoemission spectroscopy (ARPES) spectra of single-layer FeSe on a strontium titanate substrate revealed a phonon component contribution to mechanisms behind its high-Tc superconductivity. We study the interaction of the in-layer FeSe electrons with the electric potential of the longitudinal (LO) modes at the surface of bulk SrTi O3 . A two-dimensional system of charges at the FeSe /SrTi O3 interface includes both the itinerant and the immobile electrons. The latter significantly change the interface characteristics, increasing screening at the substrate surface and thereby reducing the strength of the electron-LO-phonon interaction. In what follows, the dielectric constant serves as a free parameter and is determined using the ARPES measurements of the replicas. Two-dimensional Coulomb screening is accounted for in the random-phase approximation. It is shown that the model is applicable over the entire range of the parameters typical for current experiments. The estimates from this model make possible the conclusion that the LO-phonon-mediated pairing alone cannot account for the temperatures of the superconducting transitions Tc in the single-layer FeSe /SrTi O3 reported in these experiments. This does not exclude that the LO-phonon mechanisms can become more significant in differently and better prepared single-layer FeSe films. Available experiments are briefly discussed. Thus far no measurements exist on the dependence of Tc on the concentration of electrons doped into the in-layer FeSe band.

  5. Single versus double-layer uterine closure at cesarean: impact on lower uterine segment thickness at next pregnancy.

    Science.gov (United States)

    Vachon-Marceau, Chantale; Demers, Suzanne; Bujold, Emmanuel; Roberge, Stephanie; Gauthier, Robert J; Pasquier, Jean-Charles; Girard, Mario; Chaillet, Nils; Boulvain, Michel; Jastrow, Nicole

    2017-07-01

    Uterine rupture is a potential life-threatening complication during a trial of labor after cesarean delivery. Single-layer closure of the uterus at cesarean delivery has been associated with an increased risk of uterine rupture compared with double-layer closure. Lower uterine segment thickness measurement by ultrasound has been used to evaluate the quality of the uterine scar after cesarean delivery and is associated with the risk of uterine rupture. To estimate the impact of previous uterine closure on lower uterine segment thickness. Women with a previous single low-transverse cesarean delivery were recruited at 34-38 weeks' gestation. Transabdominal and transvaginal ultrasound evaluation of the lower uterine segment thickness was performed by a sonographer blinded to clinical data. Previous operative reports were reviewed to obtain the type of previous uterine closure. Third-trimester lower uterine segment thickness at the next pregnancy was compared according to the number of layers sutured and according to the type of thread for uterine closure, using weighted mean differences and multivariate logistic regression analyses. Of 1613 women recruited, with operative reports available, 495 (31%) had a single-layer and 1118 (69%) had a double-layer closure. The mean third-trimester lower uterine segment thickness was 3.3 ± 1.3 mm and the proportion with lower uterine segment thickness cesarean delivery is associated with a thicker third-trimester lower uterine segment and a reduced risk of lower uterine segment thickness <2.0 mm in the next pregnancy. The type of thread for uterine closure has no significant impact on lower uterine segment thickness. Copyright © 2017 Elsevier Inc. All rights reserved.

  6. The peculiar effect of forest dislocations on single twin layer development in zinc and beryllium single crystals

    International Nuclear Information System (INIS)

    Lavrentev, F.F.; Bosin, M.E.

    1978-01-01

    This is an investigation of the effect of different types of forest dislocation on the rate of twin layer broadening, Vsub(n), in zinc and beryllium crystals, and on the velocity of the twinning dislocation movement, Vsub(t), in zinc crystals under the action of a constant external shear stress. Increasing the forest basal dislocation density, rhosub(b), was found to result in increasing Vsub(n) and reducing Vsub(t), while increasing the forest pyramidal dislocation density, rhosub(p), causes Vsub(n) to decrease. An analysis in terms of crystal geometry shows that the dualism of the influence of the basal dislocations stems from the fact that they behave as twinning dislocation sources whose density, increasing with rhosub(b) leads to higher Vsub(n). The decrease in the effective stress, tausup(*), with increasing rhosub(b) is estimated. An analysis of the experimental data yielded the relation Vsub(t)(tausup(*)) and an estimate of the activation volume, which amounted to 6 x 10 -21 cm 3 . The close coincidence of the activation volumes as obtained from Vsub(t)(tausup(*)) and Vsub(n)(tau) suggests that the rate-controlling mechanism of the twin layer development in zinc crystals with large forest basal dislocation density is the twinning dislocation inhibition. In Be crystals, the increasing Vsub(n) effect is observed during untwinning. In Be twinned crystals, electron microscopy revealed twinning dislocations with a density of about 10 5 cm -1 at the twin boundaries and a large forest basal dislocation density inside the twin (ca. 10 8 cm -2 ). (Auth.)

  7. Magneto-electroluminescence effects in the single-layer organic light-emitting devices with macrocyclic aromatic hydrocarbons

    Directory of Open Access Journals (Sweden)

    S.-T. Pham

    2018-02-01

    Full Text Available Magneto-electroluminescence (MEL effects are observed in single-layer organic light-emitting devices (OLEDs comprising only macrocyclic aromatic hydrocarbons (MAHs. The fluorescence devices were prepared using synthesized MAHs, namely, [n]cyclo-meta-phenylene ([n]CMP, n = 5, 6. The MEL ratio of the resulting OLED is 1%–2% in the spectral wavelength range of 400-500 nm, whereas it becomes negative (−1.5% to −2% in the range from 650 to 700 nm. The possible physical origins of the sign change in the MEL are discussed. This wavelength-dependent sign change in the MEL ratio could be a unique function for future single-layer OLEDs capable of magnetic-field-induced color changes.

  8. A meta-analytic review of the effectiveness of single-layer clothing in preventing exposure from pesticide handling.

    Science.gov (United States)

    Miguelino, Eric S

    2014-01-01

    This review summarizes available information on the penetration of pesticides through single-layer clothing by pesticide handlers and introduces epidemiological and observational studies on pesticide exposure. The data for this report were taken from peer-reviewed articles, publicly available government reports, and publicly available government reviews of registrant-submitted data and information. The arithmetic mean of calculated clothing penetration was obtained for various parts of the body (upper arm, lower arm, chest/torso, back/torso, upper leg, and lower leg) that were exposed to pesticide. The range of pesticide penetration to the various parts of the body through single-layer clothing during mixing, loading, and application (MLA) activities was found to be 6.2% ± 5.7% to 21.4% ± 6.7%, which demonstrates a potential for increased and unintentional pesticide exposures. Based on this evaluation, some accepted default values for protection against pesticide exposure may be overestimated.

  9. Synchrotron Topographic and Diffractometer Studies of Buried Layered Structures Obtained by Implantation with Swift Heavy Ions in Silicon Single Crystals

    International Nuclear Information System (INIS)

    Wierzchowski, W.; Wieteska, K.; Zymierska, D.; Graeff, W.; Czosnyka, T.; Choinski, J.

    2006-01-01

    A distribution of crystallographic defects and deformation in silicon crystals subjected to deep implantation (20-50 μm) with ions of the energy of a few MeV/amu is studied. Three different buried layered structures (single layer, binary buried structure and triple buried structure) were obtained by implantation of silicon single crystals with 184 MeV argon ions, 29.7 MeV boron ions, and 140 MeV argon ions, each implantation at a fluency of 1x10 14 ions cm -2 . The implanted samples were examined by means of white beam X-ray section and projection topography, monochromatic beam topography and by recording local rocking curves with the beam restricted to 50 x 50 μm 2 . The experiment pointed to a very low level of implantation-induced strain (below 10 -5 ). The white beam Bragg case section experiment revealed a layer producing district black contrast located at a depth of the expected mean ion range. The presence of these buried layered structures in studied silicon crystals strongly affected the fringe pattern caused by curvature of the samples. In case of white beam projection and monochromatic beam topographs the implanted areas were revealed as darker regions with a very tiny grain like structure. One may interpret these results as the effect of considerable heating causing annihilation of point defects and formation of dislocation loops connected with point defect clusters. (author)

  10. Squeezing molecular thin alkane lubrication films between curved solid surfaces with long-range elasticity: Layering transitions and wear

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, V. N.; Persson, B. N. J.

    2003-01-01

    The properties of alkane lubricants confined between two approaching solids are investigated by a model that accounts for the curvature and the elastic properties of the solid surfaces. We consider linear alkane molecules of different chain lengths, C3H8, C4H10, C8H18, C9H20, C10H22, C12H26 and C14......H30 confined between smooth gold surfaces. In most cases we observe well defined molecular layers develop in the lubricant film when the width of the film is of the order of a few atomic diameters. An external squeezing-pressure induces discontinuous, thermally activated changes in the number n...... of lubricant layers. We find that with increasing alkane chain length, the transition from n to n-1 layers occurs at higher pressure, as expected based on the increasing wettability ~or spreading pressure with increasing chain length. Thus, the longer alkanes are better boundary lubricants than the shorter...

  11. Pulling back error to the hidden-node parameter technology: Single-hidden-layer feedforward network without output weight

    OpenAIRE

    Yang, Yimin; Wu, Q. M. Jonathan; Huang, Guangbin; Wang, Yaonan

    2014-01-01

    According to conventional neural network theories, the feature of single-hidden-layer feedforward neural networks(SLFNs) resorts to parameters of the weighted connections and hidden nodes. SLFNs are universal approximators when at least the parameters of the networks including hidden-node parameter and output weight are exist. Unlike above neural network theories, this paper indicates that in order to let SLFNs work as universal approximators, one may simply calculate the hidden node paramete...

  12. Design of Circular, Square, Single, and Multi-layer Induction Coils for Electromagnetic Priming Using Inductance Estimates

    Science.gov (United States)

    Fritzsch, Robert; Kennedy, Mark W.; Aune, Ragnhild E.

    2018-02-01

    Special induction coils used for electro magnetic priming of ceramic foam filters in liquid metal filtration have been designed using a combination of analytical and finite element modeling. Relatively simple empirical equations published by Wheeler in 1928 and 1982 have been used during the design process. The equations were found to accurately predict the z-component of the magnetic flux densities of both single- and multi-layer coils as verified both experimentally and by using COMSOL® 5.1 multiphysics simulations.

  13. Biophysical characterization of the molecular orientation of an antibody-immobilized layer using secondary ion mass spectrometry.

    Science.gov (United States)

    Cho, Il-Hoon; Park, Ji-Won; Lee, Tae Geol; Lee, Haiwon; Paek, Se-Hwan

    2011-04-07

    The molecular orientation of antibody layers formed on separate solid matrices (e.g., gold-coated glass substrate) was characterized by means of time-of-flight secondary ion mass spectrometry (ToF-SIMS) in static mode. For comparison, three different antibody species, IgG, F(ab')(2), and Fab, were prepared, biotinylated in random and site-directed fashions, and immobilized on distinct streptavidin-coated surfaces. ToF-SIMS analyses of each antibody layer revealed that the secondary ion intensity peaks measured at the mass-to-charge (m/z) ratio 253, 325, and 647 were unique to the site-directly immobilized antibodies. The ions in the three peaks were detected neither from the streptavidin layer nor from the randomly prepared antibody, indicating that the insolubilized antibody layers constructed in the two different manners had distinct molecular arrangements. The antibody preparations were further tested for their binding characteristics in sandwich-type immunoassays, which showed that the site-directed antibodies consistently enhanced the detection capability comparing to those randomly prepared. Based on the analytical results of both the ToF-SIMS analysis and sandwich-type immunoassays, the site-directed antibody species were immobilized on the surfaces in a more orientated manner, with their antigen binding sites exposed to the bulk solution, than when random immobilization was used. © The Royal Society of Chemistry 2011

  14. Surface texture of single-crystal silicon oxidized under a thin V{sub 2}O{sub 5} layer

    Energy Technology Data Exchange (ETDEWEB)

    Nikitin, S. E., E-mail: nikitin@mail.ioffe.ru; Verbitskiy, V. N.; Nashchekin, A. V.; Trapeznikova, I. N.; Bobyl, A. V.; Terukova, E. E. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2017-01-15

    The process of surface texturing of single-crystal silicon oxidized under a V{sub 2}O{sub 5} layer is studied. Intense silicon oxidation at the Si–V{sub 2}O{sub 5} interface begins at a temperature of 903 K which is 200 K below than upon silicon thermal oxidation in an oxygen atmosphere. A silicon dioxide layer 30–50 nm thick with SiO{sub 2} inclusions in silicon depth up to 400 nm is formed at the V{sub 2}O{sub 5}–Si interface. The diffusion coefficient of atomic oxygen through the silicon-dioxide layer at 903 K is determined (D ≥ 2 × 10{sup –15} cm{sup 2} s{sup –1}). A model of low-temperature silicon oxidation, based on atomic oxygen diffusion from V{sub 2}O{sub 5} through the SiO{sub 2} layer to silicon, and SiO{sub x} precipitate formation in silicon is proposed. After removing the V{sub 2}O{sub 5} and silicon-dioxide layers, texture is formed on the silicon surface, which intensely scatters light in the wavelength range of 300–550 nm and is important in the texturing of the front and rear surfaces of solar cells.

  15. Single-molecule chemical reaction reveals molecular reaction kinetics and dynamics.

    Science.gov (United States)

    Zhang, Yuwei; Song, Ping; Fu, Qiang; Ruan, Mingbo; Xu, Weilin

    2014-06-25

    Understanding the microscopic elementary process of chemical reactions, especially in condensed phase, is highly desirable for improvement of efficiencies in industrial chemical processes. Here we show an approach to gaining new insights into elementary reactions in condensed phase by combining quantum chemical calculations with a single-molecule analysis. Elementary chemical reactions in liquid-phase, revealed from quantum chemical calculations, are studied by tracking the fluorescence of single dye molecules undergoing a reversible redox process. Statistical analyses of single-molecule trajectories reveal molecular reaction kinetics and dynamics of elementary reactions. The reactivity dynamic fluctuations of single molecules are evidenced and probably arise from either or both of the low-frequency approach of the molecule to the internal surface of the SiO2 nanosphere or the molecule diffusion-induced memory effect. This new approach could be applied to other chemical reactions in liquid phase to gain more insight into their molecular reaction kinetics and the dynamics of elementary steps.

  16. Single-Crystal Y2O3 Epitaxially on GaAs(001 and (111 Using Atomic Layer Deposition

    Directory of Open Access Journals (Sweden)

    Y. H. Lin

    2015-10-01

    Full Text Available Single-crystal atomic-layer-deposited (ALD Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\ films 2 nm thick were epitaxially grown on molecular beam epitaxy (MBE GaAs(001-4 \\(\\times\\ 6 and GaAs(111A-2 \\(\\times\\ 2 reconstructed surfaces. The in-plane epitaxy between the ALD-oxide films and GaAs was observed using \\textit{in-situ} reflection high-energy electron diffraction in our uniquely designed MBE/ALD multi-chamber system. More detailed studies on the crystallography of the hetero-structures were carried out using high-resolution synchrotron radiation X-ray diffraction. When deposited on GaAs(001, the Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\ films are of a cubic phase and have (110 as the film normal, with the orientation relationship being determined: Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\(\\(110\\[\\(001\\][\\(\\overline{1}10\\]//GaAs(\\(001\\[\\(110\\][\\(1\\overline{1}0\\]. On GaAs(\\(111\\A, the Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\ films are also of a cubic phase with (\\(111\\ as the film normal, having the orientation relationship of Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\(\\(111\\[\\(2\\overline{1}\\overline{1}\\] [\\(01\\overline{1}\\]//GaAs (\\(111\\ [\\(\\overline{2}11\\][\\(0\\overline{1}1\\]. The relevant orientation for the present/future integrated circuit platform is (\\(001\\. The ALD-Y\\(_{\\mathrm{2}}\\O\\(_{\\mathrm{3}}\\/GaAs(\\(001\\-4 \\(\\times\\ 6 has shown excellent electrical properties. These include small frequency dispersion in the capacitance-voltage CV curves at accumulation of ~7% and ~14% for the respective p- and n-type samples with the measured frequencies of 1 MHz to 100 Hz. The interfacial trap density (Dit is low of ~10\\(^{12}\\ cm\\(^{−2}\\eV\\(^{−1}\\ as extracted from measured quasi-static CVs. The frequency dispersion at accumulation and the D\\(_{it}\\ are the lowest ever achieved among all the ALD-oxides on GaAs(\\(001\\.

  17. Estimating single molecule conductance from spontaneous evolution of a molecular contact

    Science.gov (United States)

    Gil, M.; Malinowski, T.; Iazykov, M.; Klein, H. R.

    2018-03-01

    We present an original method to estimate the conductivity of a single molecule anchored to nanometric-sized metallic electrodes, using a Mechanically Controlled Break Junction operated at room temperature in the liquid. We record the conductance through the metal/molecules/metal nanocontact while keeping the metallic electrodes at a fixed distance. Taking advantage of thermal diffusion and electromigration, we let the contact naturally explore the more stable configurations around a chosen conductance value. The conductance of a single molecule is estimated from a statistical analysis of raw conductance and conductance standard deviation data for molecular contacts containing up to 14 molecules. The single molecule conductance values are interpreted as time-averaged conductance of an ensemble of conformers at thermal equilibrium.

  18. Effect of temperature on compact layer of Pt electrode in PEMFCs by first-principles molecular dynamics calculations

    Energy Technology Data Exchange (ETDEWEB)

    He, Yang [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Chen, Changfeng, E-mail: chen_c_f@163.com [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Yu, Haobo [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China); Beijing Key Laboratory of Failure, Corrosion and Protection of Oil/gas Facilities, China University of Petroleum (Beijing), Beijing 102249 (China); Lu, Guiwu [Department of Materials Science and Engineering, China University of Petroleum (Beijing), Beijing 102249 (China)

    2017-01-15

    Highlights: • The structures of water compact layer on Pt(111) at different temperature were calculated. • The feature of chemical bond between water molecules and Pt (111) surface was discussed with temperature increased. • Temperature dependence of electrical strengths and capacitances of compact layer on Pt (111) surface was calculated. - Abstract: Formation of the double-layer electric field and capacitance of the water-metal interface is of significant interest in physicochemical processes. In this study, we perform first- principles molecular dynamics simulations on the water/Pt(111) interface to investigate the temperature dependence of the compact layer electric field and capacitance based on the calculated charge densities. On the Pt (111) surface, water molecules form ice-like structures that exhibit more disorder along the height direction with increasing temperature. The O−H bonds of more water molecules point toward the Pt surface to form Pt−H covalent bonds with increasing temperature, which weaken the corresponding O−H bonds. In addition, our calculated capacitance at 300 K is 15.2 mF/cm{sup 2}, which is in good agreement with the experimental results. As the temperature increases from 10 to 450 K, the field strength and capacitance of the compact layer on Pt (111) first increase and then decrease slightly, which is significant for understanding the water/Pt interface from atomic level.

  19. Fracture resistance of single-tooth implant-supported zirconia-based indirect composite-layered molar restorations.

    Science.gov (United States)

    Taguchi, Kohei; Komine, Futoshi; Fushiki, Ryosuke; Blatz, Markus B; Kamio, Shingo; Matsumura, Hideo

    2014-08-01

    This study evaluated the fracture resistance of single-tooth implant-supported zirconia-based indirect composite-layered molar restorations. Forty-four titanium abutments (GingiHue Post) were placed on dental implants (Osseotite Implant). Standardized single-tooth cement-retained implant-supported mandibular molar restorations were fabricated for each of four test groups (n = 11) as follows: porcelain-fused-to-metal crowns (PFM), zirconia-based all-ceramic crowns (ZAC), zirconia-based indirect composite-layered crowns primed with Estenia Opaque Primer for zirconia frameworks (ZIC-E), and zirconia-based indirect composite-layered crowns (ZIC). The crowns were luted with a glass-ionomer cement (Ketac Cem Easymix). Fracture resistance (N) was determined by force application of a perpendicular load to the crowns with a universal testing machine. One-way analysis of variance (ANOVA) and the Tukey's HSD test were used to assess differences in fracture resistance values (α = 0.05). Mean fracture resistances (SD) were 3.09 (0.22) kN, 3.11 (0.34) kN, 2.84 (0.21) kN, and 2.50 (0.36) kN for the PFM, ZAC, ZIC-E, and ZIC groups, respectively. Fracture resistance in the ZIC specimens was significantly lower (P zirconia-based indirect composite-layered molar crowns primed with Estenia Opaque Primer for zirconia frameworks (ZIC-E) is comparable to that of porcelain-fused-to-metal (PFM) and zirconia-based all-ceramic (ZAC) restorations. Application of Estenia Opaque Primer to zirconia ceramic framework provides superior fracture resistance in implant-supported zirconia-based indirect composite-layered molar crowns. © 2013 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  20. Epitaxial layers of 2122 BCSCO superconductor thin films having single crystalline structure

    Science.gov (United States)

    Pandey, Raghvendra K. (Inventor); Raina, Kanwal K. (Inventor); Solayappan, Narayanan (Inventor)

    1995-01-01

    A substantially single phase, single crystalline, highly epitaxial film of Bi.sub.2 CaSr.sub.2 Cu.sub.2 O.sub.8 superconductor which has a T.sub.c (zero resistance) of 83K is provided on a lattice-matched substrate with no intergrowth. This film is produced by a Liquid Phase Epitaxy method which includes the steps of forming a dilute supercooled molten solution of a single phase superconducting mixture of oxides of Bi, Ca, Sr, and Cu having an atomic ratio of about 2:1:2:2 in a nonreactive flux such as KCl, introducing the substrate, e.g., NdGaO.sub.3, into the molten solution at 850.degree. C., cooling the solution from 850.degree. C. to 830.degree. C. to grow the film and rapidly cooling the substrate to room temperature to maintain the desired single phase, single crystalline film structure.

  1. Effect of Single or Combined Climatic and Hygienic Stress in Four Layer Lines: 1. Performance

    NARCIS (Netherlands)

    Star, L.; Kemp, B.; Anker, van den I.; Parmentier, H.K.

    2008-01-01

    Effects of long-term climatic stress (heat exposure), short-term hygienic stress [lipopolysaccharide (LPS)], or a combination of both challenges on performance of 4 layer lines were investigated. The lines were earlier characterized by natural humoral immune competence and survival rate. At 22 wk of

  2. Molecular epidemiology of a reproductive tract-associated colibacillosis outbreak in a layer breeder flock associated with atypical avian pathogenic Escherichia coli.

    Science.gov (United States)

    Timothy, Sioned; Shafi, Khaliq; Leatherbarrow, A Howard; Jordan, F T W; Wigley, Paul

    2008-08-01

    The molecular epidemiology of 70 Escherichia coli isolates from an infection outbreak in a layer breeder flock was examined by pulsed-field gel electrophoresis and for a range of virulence factors by polymerase chain reaction. Pulsed-field gel electrophoresis showed 35 of 45 isolates from eight disease cases were associated with a single clonal group that was the exclusive strain associated with reproductive tract. A second unrelated group was found in environmental isolates and healthy birds. The remaining isolates were unrelated to each other or either clonal group. Polymerase chain reaction virulotyping indicated the "epidemic" clonal group contains virulence factors including iss, sfa, tsh, iucC, ibeA, and sitA associated with avian pathogenic E. coli plus several virulence factors more normally associated with human urinary tract infection. Significantly, the "epidemic" clone was also found in an environmental sample, suggesting it may have been transmitted to the flock via the environment.

  3. DNA detection and single nucleotide mutation identification using SERS for molecular diagnostics and global health

    Science.gov (United States)

    Ngo, Hoan T.; Gandra, Naveen; Fales, Andrew M.; Taylor, Steve M.; Vo-Dinh, Tuan

    2017-02-01

    Nucleic acid-based molecular diagnostics at the point-of-care (POC) and in resource-limited settings is still a challenge. We present a sensitive yet simple DNA detection method with single nucleotide polymorphism (SNP) identification capability. The detection scheme involves sandwich hybridization of magnetic beads conjugated with capture probes, target sequences, and ultrabright surface-enhanced Raman Scattering (SERS) nanorattles conjugated with reporter probes. Upon hybridization, the sandwich probes are concentrated at the detection focus controlled by a magnetic system for SERS measurements. The ultrabright SERS nanorattles, consisting of a core and a shell with resonance Raman reporters loaded in the gap space between the core and the shell, serve as SERS tags for ultrasensitive signal detection. Specific DNA sequences of the malaria parasite Plasmodium falciparum and dengue virus 1 (DENV1) were used as the model marker system. Detection limit of approximately 100 attomoles was achieved. Single nucleotide polymorphism (SNP) discrimination of wild type malaria DNA and mutant malaria DNA, which confers resistance to artemisinin drugs, was also demonstrated. The results demonstrate the molecular diagnostic potential of the nanorattle-based method to both detect and genotype infectious pathogens. The method's simplicity makes it a suitable candidate for molecular diagnosis at the POC and in resource-limited settings.

  4. A Failure Criterion for Single-Walled Carbon Nanotubes Based on Molecular Mechanics

    Science.gov (United States)

    Avila, Antonio; Lacerda, Guilherme

    2008-03-01

    Single-walled carbon nanotubes (SWNT) are the natural choice for high performance materials. The problem, however, rises when the experimental data are compared against each other. The large variability of experimental data lead to development of a new set of numerical simulations called molecular mechanics, which is a ``symbiotic'' association of molecular dynamics and solid mechanics. This papers deals with a molecular mechanics simulations of single-walled carbon nanotubes. Three SWNT configurations and its combinations were simulated, i.e. armchair, zigzag and chiral. The failure criterion introduced is based on modified Morse's potential with dissociation energy of 124 Kcal/mol and an inflection point considered is around 13% of strain. The numerical data are in good agreement with data from Belytschko et al. (2002) where the failure occurred at 10.6% strain at 65.2 GPa of stress. To be able to identify the highest stress concentration region, one end of the SWNT all degrees-of-freedom were fixed and a prescribed axial displacement was applied at the opposite end. The Sadoc (chiral-chiral) configuration had the highest stress at the smallest chiral SWNT. For the Dunlap configuration (chiral-zigzag) the highest stress occurred at chiral part close to the pentagon location.

  5. Single-column model and large eddy simulation of the evening transition in the planetary boundary layer

    Science.gov (United States)

    Cuchiara, Gustavo; Rappenglück, Bernhard

    2016-04-01

    The transition from the convective boundary layer during the daytime to the stable stratified boundary layer during nighttime after sunset plays an important role in the transport and dispersion of atmospheric pollutants. However, our knowledge regarding this transition and its feedback on the structure of the subsequent nocturnal boundary layer is still restricted. This also prevents forecast models from accurate prediction of the onset and development of the nighttime boundary layer, which determines the redistribution of pollutants within the nocturnal surface layer and the residual layer aloft. In the present study, the well-known case of day 33 of the Wangara experiment is resimulated using the Weather Research and Forecasting (WRF) model in an idealized single-column mode to assess the performance of a frequently used planetary boundary layer (PBL) scheme, the Yonsei University (YSU) PBL scheme. These results are compared with two large eddy simulations (LES) for the same case study imposing different surface fluxes: one using previous surface fluxes calculated for the Wangara experiment and a second one using output from the WRF model. The results show a reasonable agreement of the PBL scheme in WRF with the LES. Overall, all the simulations presented a cold bias of ~3 Kelvin for the potential temperature and underestimation of the wind speed, especially after the transition to nighttime conditions (biases were up to 4 ms-1). Finally, an alternative set of eddy diffusivity equations was tested to represent the transition characteristics of a sunset period, with a stable layer below and a new parameterization for the convective decay regime typically observed in the RL aloft. This set of equations led to a gradual decrease of the eddy diffusivity, which replaces the instantaneous collapse of traditional diagnostics for eddy diffusivities. More appreciable changes were observed in air temperature, wind speed and specific humidity (up to 0.5 K, 0.6 ms-1, and 0

  6. The efficiency enhancement of single-layer solution-processed blue phosphorescent organic light emitting diodes by hole injection layer modification

    International Nuclear Information System (INIS)

    Yeoh, K H; Talik, N A; Whitcher, T J; Ng, C Y B; Woon, K L

    2014-01-01

    Poly(3,4-ethylenedioxythiophene): poly(styrenesulfonate) PEDOT : PSS is extensively used as a hole injection layer (HIL) in solution-processed organic light emitting diodes (OLEDs). The high work function of a HIL is crucial in improving OLED efficiency. The work function of PEDOT : PSS is usually around 5.1–5.3 eV. By adding perfluorinated ionomer (PFI), the work function of PEDOT : PSS has been reported to reach as high as 5.95 eV. We investigated the effects of PFI-modified PEDOT : PSS in a single-layer solution-processed blue phosphorescent OLED (PHOLED). We observed that high concentrations of a PFI in PEDOT : PSS has detrimental effects on the device efficiency due to the low conductivity of the PFI. Using this approach, blue PHOLEDs with efficiencies of 9.4 lm W −1 (18.2 cd A −1 ) and 7.9 lm W −1 (20.4 cd A −1 ) at 100 cd m −2 and 1000 cd m −2 , respectively, were demonstrated. (paper)

  7. A single α-cobalt hydroxide/sodium alginate bilayer layer-by-layer assembly for conferring flame retardancy to flexible polyurethane foams

    Energy Technology Data Exchange (ETDEWEB)

    Mu, Xiaowei [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Yuan, Bihe [School of Resources and Environmental Engineering, Wuhan University of Technology, Wuhan 430070 (China); Pan, Ying; Feng, Xiaming; Duan, Lijin [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Zong, Ruowen, E-mail: zongrw@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); Hu, Yuan, E-mail: yuanhu@ustc.edu.cn [State Key Laboratory of Fire Science, University of Science and Technology of China, Hefei 230026 (China); National Synchrotron Radiation Laboratory, University of Science and Technology of China, Hefei 230026 (China)

    2017-04-15

    A layer-by-layer (LBL) assembly coating composed of α-cobalt hydroxide (α-Co(OH){sub 2}) and sodium alginate (SA) is deposited on flexible polyurethane (FPU) foam to reduce its flammability. Scanning electron microscopy (SEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) are employed to prove the LBL assembly process. It is obvious from SEM results that a uniform and rough coating is deposited on FPU foam compared with that of untreated one. The peak intensity of methylene of SA in FITR spectra and typical (003) diffraction peak of α-Co(OH){sub 2} nanosheets at 11.0° in XRD patterns increases gradually with increment of bilayer number. Combustion behavior and toxicity suppression property of samples are characterized by cone calorimeter (under an irradiance of 35 kW m{sup −2}) and Thermogravimetry/Fourier transform infrared spectroscopy. The one and two bilayers (BL) coating on FPU foam can achieve excellent flame retardancy. Compared with untreated sample, the peak heat release rate of the coated FPU foam containing only one BL coating is reduced by 58.7%. The content of gaseous toxic substances during pyrolysis of FPU foam deposited with a single bilayer coating, such as CO and NCO-containing compounds, are reduced by 20.0% and 9.2%, respectively. Besides, the flame retardant mechanism of the coated FPU foam is also revealed. - Highlights: • The α-Co(OH){sub 2} nanosheets are firstly employed in LBL assembly. • A single α-cobalt hydroxide/sodium alginate bilayer LBL assembly for conferring excellent flame retardancy to FPU foam. • The flame retardant mechanism of LBL assembly FPU foam is displayed.

  8. Atom-scale depth localization of biologically important chemical elements in molecular layers.

    Science.gov (United States)

    Schneck, Emanuel; Scoppola, Ernesto; Drnec, Jakub; Mocuta, Cristian; Felici, Roberto; Novikov, Dmitri; Fragneto, Giovanna; Daillant, Jean

    2016-08-23

    In nature, biomolecules are often organized as functional thin layers in interfacial architectures, the most prominent examples being biological membranes. Biomolecular layers play also important roles in context with biotechnological surfaces, for instance, when they are the result of adsorption processes. For the understanding of many biological or biotechnologically relevant phenomena, detailed structural insight into the involved biomolecular layers is required. Here, we use standing-wave X-ray fluorescence (SWXF) to localize chemical elements in solid-supported lipid and protein layers with near-Ångstrom precision. The technique complements traditional specular reflectometry experiments that merely yield the layers' global density profiles. While earlier work mostly focused on relatively heavy elements, typically metal ions, we show that it is also possible to determine the position of the comparatively light elements S and P, which are found in the most abundant classes of biomolecules and are therefore particularly important. With that, we overcome the need of artificial heavy atom labels, the main obstacle to a broader application of high-resolution SWXF in the fields of biology and soft matter. This work may thus constitute the basis for the label-free, element-specific structural investigation of complex biomolecular layers and biological surfaces.

  9. Alkali (Li, K and Na) and alkali-earth (Be, Ca and Mg) adatoms on SiC single layer

    Science.gov (United States)

    Baierle, Rogério J.; Rupp, Caroline J.; Anversa, Jonas

    2018-03-01

    First-principles calculations within the density functional theory (DFT) have been addressed to study the energetic stability, and electronic properties of alkali and alkali-earth atoms adsorbed on a silicon carbide (SiC) single layer. We observe that all atoms are most stable (higher binding energy) on the top of a Si atom, which moves out of the plane (in the opposite direction to the adsorbed atom). Alkali atoms adsorbed give raise to two spin unpaired electronic levels inside the band gap leading the SiC single layer to exhibit n-type semiconductor properties. For alkaline atoms adsorbed there is a deep occupied spin paired electronic level inside the band gap. These finding suggest that the adsorption of alkaline and alkali-earth atoms on SiC layer is a powerful feature to functionalize two dimensional SiC structures, which can be used to produce new electronic, magnetic and optical devices as well for hydrogen and oxygen evolution reaction (HER and OER, respectively). Furthermore, we observe that the adsorption of H2 is ruled by dispersive forces (van der Waals interactions) while the O2 molecule is strongly adsorbed on the functionalized system.

  10. Study of Sequential Dexter Energy Transfer in High Efficient Phosphorescent White Organic Light-Emitting Diodes with Single Emissive Layer

    Science.gov (United States)

    Kim, Jin Wook; You, Seung Il; Kim, Nam Ho; Yoon, Ju-An; Cheah, Kok Wai; Zhu, Fu Rong; Kim, Woo Young

    2014-01-01

    In this study, we report our effort to realize high performance single emissive layer three color white phosphorescent organic light emitting diodes (PHOLEDs) through sequential Dexter energy transfer of blue, green and red dopants. The PHOLEDs had a structure of; ITO(1500 Å)/NPB(700 Å)/mCP:Firpic-x%:Ir(ppy)3-0.5%:Ir(piq)3-y%(300 Å)/TPBi(300 Å)/Liq(20 Å)/Al(1200 Å). The dopant concentrations of FIrpic, Ir(ppy)3 and Ir(piq)3 were adjusted and optimized to facilitate the preferred energy transfer processes attaining both the best luminous efficiency and CIE color coordinates. The presence of a deep trapping center for charge carriers in the emissive layer was confirmed by the observed red shift in electroluminescent spectra. White PHOLEDs, with phosphorescent dopant concentrations of FIrpic-8.0%:Ir(ppy)3-0.5%:Ir(piq)3-0.5% in the mCP host of the single emissive layer, had a maximum luminescence of 37,810 cd/m2 at 11 V and a luminous efficiency of 48.10 cd/A at 5 V with CIE color coordinates of (0.35, 0.41). PMID:25388087

  11. Junctionless Diode Enabled by Self-Bias Effect of Ion Gel in Single-Layer MoS2 Device.

    Science.gov (United States)

    Khan, Muhammad Atif; Rathi, Servin; Park, Jinwoo; Lim, Dongsuk; Lee, Yoontae; Yun, Sun Jin; Youn, Doo-Hyeb; Kim, Gil-Ho

    2017-08-16

    The self-biasing effects of ion gel from source and drain electrodes on electrical characteristics of single layer and few layer molybdenum disulfide (MoS 2 ) field-effect transistor (FET) have been studied. The self-biasing effect of ion gel is tested for two different configurations, covered and open, where ion gel is in contact with either one or both, source and drain electrodes, respectively. In open configuration, the linear output characteristics of the pristine device becomes nonlinear and on-off ratio drops by 3 orders of magnitude due to the increase in "off" current for both single and few layer MoS 2 FETs. However, the covered configuration results in a highly asymmetric output characteristics with a rectification of around 10 3 and an ideality factor of 1.9. This diode like behavior has been attributed to the reduction of Schottky barrier width by the electric field of self-biased ion gel, which enables an efficient injection of electrons by tunneling at metal-MoS 2 interface. Finally, finite element method based simulations are carried out and the simulated results matches well in principle with the experimental analysis. These self-biased diodes can perform a crucial role in the development of high-frequency optoelectronic and valleytronic devices.

  12. Assessment of mixed-layer height estimation from single-wavelength ceilometer profiles

    Science.gov (United States)

    Knepp, Travis N.; Szykman, James J.; Long, Russell; Duvall, Rachelle M.; Krug, Jonathan; Beaver, Melinda; Cavender, Kevin; Kronmiller, Keith; Wheeler, Michael; Delgado, Ruben; Hoff, Raymond; Berkoff, Timothy; Olson, Erik; Clark, Richard; Wolfe, Daniel; Van Gilst, David; Neil, Doreen

    2017-10-01

    Differing boundary/mixed-layer height measurement methods were assessed in moderately polluted and clean environments, with a focus on the Vaisala CL51 ceilometer. This intercomparison was performed as part of ongoing measurements at the Chemistry And Physics of the Atmospheric Boundary Layer Experiment (CAPABLE) site in Hampton, Virginia and during the 2014 Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) field campaign that took place in and around Denver, Colorado. We analyzed CL51 data that were collected via two different methods (BLView software, which applied correction factors, and simple terminal emulation logging) to determine the impact of data collection methodology. Further, we evaluated the STRucture of the ATmosphere (STRAT) algorithm as an open-source alternative to BLView (note that the current work presents an evaluation of the BLView and STRAT algorithms and does not intend to act as a validation of either). Filtering criteria were defined according to the change in mixed-layer height (MLH) distributions for each instrument and algorithm and were applied throughout the analysis to remove high-frequency fluctuations from the MLH retrievals. Of primary interest was determining how the different data-collection methodologies and algorithms compare to each other and to radiosonde-derived boundary-layer heights when deployed as part of a larger instrument network. We determined that data-collection methodology is not as important as the processing algorithm and that much of the algorithm differences might be driven by impacts of local meteorology and precipitation events that pose algorithm difficulties. The results of this study show that a common processing algorithm is necessary for light detection and ranging (lidar)-based MLH intercomparisons and ceilometer-network operation, and that sonde-derived boundary layer heights are higher (10-15 % at midday) than lidar

  13. Assessment of mixed-layer height estimation from single-wavelength ceilometer profiles

    Directory of Open Access Journals (Sweden)

    T. N. Knepp

    2017-10-01

    Full Text Available Differing boundary/mixed-layer height measurement methods were assessed in moderately polluted and clean environments, with a focus on the Vaisala CL51 ceilometer. This intercomparison was performed as part of ongoing measurements at the Chemistry And Physics of the Atmospheric Boundary Layer Experiment (CAPABLE site in Hampton, Virginia and during the 2014 Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ field campaign that took place in and around Denver, Colorado. We analyzed CL51 data that were collected via two different methods (BLView software, which applied correction factors, and simple terminal emulation logging to determine the impact of data collection methodology. Further, we evaluated the STRucture of the ATmosphere (STRAT algorithm as an open-source alternative to BLView (note that the current work presents an evaluation of the BLView and STRAT algorithms and does not intend to act as a validation of either. Filtering criteria were defined according to the change in mixed-layer height (MLH distributions for each instrument and algorithm and were applied throughout the analysis to remove high-frequency fluctuations from the MLH retrievals. Of primary interest was determining how the different data-collection methodologies and algorithms compare to each other and to radiosonde-derived boundary-layer heights when deployed as part of a larger instrument network. We determined that data-collection methodology is not as important as the processing algorithm and that much of the algorithm differences might be driven by impacts of local meteorology and precipitation events that pose algorithm difficulties. The results of this study show that a common processing algorithm is necessary for light detection and ranging (lidar-based MLH intercomparisons and ceilometer-network operation, and that sonde-derived boundary layer heights are higher (10–15 % at

  14. Computational exploration of single-protein mechanics by steered molecular dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Sotomayor, Marcos [Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio (United States)

    2015-12-31

    Hair cell mechanotransduction happens in tens of microseconds, involves forces of a few picoNewtons, and is mediated by nanometer-scale molecular conformational changes. As proteins involved in this process become identified and their high resolution structures become available, multiple tools are being used to explore their “single-molecule responses” to force. Optical tweezers and atomic force microscopy offer exquisite force and extension resolution, but cannot reach the high loading rates expected for high frequency auditory stimuli. Molecular dynamics (MD) simulations can reach these fast time scales, and also provide a unique view of the molecular events underlying protein mechanics, but its predictions must be experimentally verified. Thus a combination of simulations and experiments might be appropriate to study the molecular mechanics of hearing. Here I review the basics of MD simulations and the different methods used to apply force and study protein mechanics in silico. Simulations of tip link proteins are used to illustrate the advantages and limitations of this method.

  15. Synthesis of Freestanding Single-crystal Perovskite Films and Heterostructures by Etching of Sacrificial Water-soluble Layers

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Di; Baek, David J.; Hong, Seung Sae; Kourkoutis, Lena F.; Hikita, Yasuyuki; Hwang, Harold Y.

    2016-08-22

    The ability to create and manipulate materials in two-dimensional (2D) form has repeatedly had transformative impact on science and technology. In parallel with the exfoliation and stacking of intrinsically layered crystals, atomic-scale thin film growth of complex materials has enabled the creation of artificial 2D heterostructures with novel functionality and emergent phenomena, as seen in perovskite heterostructures. However, separation of these layers from the growth substrate has proven challenging, limiting the manipulation capabilities of these heterostructures with respect to exfoliated materials. Here we present a general method to create freestanding perovskite membranes. The key is the epitaxial growth of water-soluble Sr3Al2O6 on perovskite substrates, followed by in situ growth of films and heterostructures. Millimetre-size single-crystalline membranes are produced by etching the Sr3Al2O6 layer in water, providing the opportunity to transfer them to arbitrary substrates and integrate them with heterostructures of semiconductors and layered compounds.

  16. Control of a White Organic Light Emitting Diode emission parameters using a single doped RGB active layer

    Energy Technology Data Exchange (ETDEWEB)

    Pereira, D. [Departamento de Ciência dos Materiais e i3N – Instituto de Nanoestruturas, Nanomodelação e Nanofabricação, Faculdade de Ciências e Tecnologia, Universidade Nova de Lisboa, Campus da Caparica, 2829-516 Caparica (Portugal); Pinto, A.; Califórnia, A.; Gomes, J. [CeNTI – Centro de Nanotecnologia, Materiais Técnicos, Funcionais e Inteligentes, Rua Fernando Mesquita 2785, 4760-034 Vila Nova de Famalicão (Portugal); Pereira, L., E-mail: luiz@ua.pt [Departmento de Física e i3N – Instituto de Nanoestruturas, Nanomodelação e Nanofabricação, Universidade de Aveiro, 3810-193 Aveiro (Portugal)

    2016-09-15

    Highlights: • A simple WOLED for Solid State Lighting is proposed with high color stability. • Energy transfer and electroluminescence dynamics of a single RGB layer for WOLEDs. • White shade modulation and stability over large emitting areas and applied voltages. - Abstract: Solid State Lighting technologies based on Organic Light Emitting Diodes, became an interesting focus due to their unique properties. The use of a unique RGB active layer for white emission, although simple in theory, shows difficulty to stabilize both CIE coordinates and color modulation. In this work, a WOLED using a simple RGB layer, was developed achieving a high color stability and shade modulation. The RGB matrix comprises a blue host material NPB, doped with two guests, a green (Coumarin 153) and a red (DCM1) in low concentrations. The RGB layer carrier dynamics allows for the white emission in low device complexity and high stability. This was also shown independent of the white shade, obtained through small changes in the red dopant resulting in devices ranging from warm to cool white i.e. an easy color tuning. A detailed analysis of the opto-electrical behavior is made.

  17. Timing and Distribution of Single-Layered Ejecta Craters Imply Sporadic Preservation of Tropical Subsurface Ice on Mars

    Science.gov (United States)

    Kirchoff, Michelle R.; Grimm, Robert E.

    2018-01-01

    Determining the evolution of tropical subsurface ice is a key component to understanding Mars's climate and geologic history. Study of an intriguing crater type on Mars—layered ejecta craters, which likely form by tapping subsurface ice—may provide constraints on this evolution. Layered ejecta craters have a continuous ejecta deposit with a fluidized-flow appearance. Single-layered ejecta (SLE) craters are the most common and dominate at tropical latitudes and therefore offer the best opportunity to derive new constraints on the temporal evolution of low-latitude subsurface ice. We estimate model formation ages of 54 SLE craters with diameter (D) ≥ 5 km using the density of small, superposed craters with D D 1 km indicates that ice could be preserved as shallow as 100 m or less at those locations. Finally, there is a striking spatial mixing in an area of highlands near the equator of layered and radial (lunar-like ballistic) ejecta craters; the latter form where there are insufficient concentrations of subsurface ice. This implies strong spatial heterogeneity in the concentration of tropical subsurface ice.

  18. Control of a White Organic Light Emitting Diode emission parameters using a single doped RGB active layer

    International Nuclear Information System (INIS)

    Pereira, D.; Pinto, A.; Califórnia, A.; Gomes, J.; Pereira, L.

    2016-01-01

    Highlights: • A simple WOLED for Solid State Lighting is proposed with high color stability. • Energy transfer and electroluminescence dynamics of a single RGB layer for WOLEDs. • White shade modulation and stability over large emitting areas and applied voltages. - Abstract: Solid State Lighting technologies based on Organic Light Emitting Diodes, became an interesting focus due to their unique properties. The use of a unique RGB active layer for white emission, although simple in theory, shows difficulty to stabilize both CIE coordinates and color modulation. In this work, a WOLED using a simple RGB layer, was developed achieving a high color stability and shade modulation. The RGB matrix comprises a blue host material NPB, doped with two guests, a green (Coumarin 153) and a red (DCM1) in low concentrations. The RGB layer carrier dynamics allows for the white emission in low device complexity and high stability. This was also shown independent of the white shade, obtained through small changes in the red dopant resulting in devices ranging from warm to cool white i.e. an easy color tuning. A detailed analysis of the opto-electrical behavior is made.

  19. Atomically thin heterostructures based on single-layer tungsten diselenide and graphene.

    Science.gov (United States)

    Lin, Yu-Chuan; Chang, Chih-Yuan S; Ghosh, Ram Krishna; Li, Jie; Zhu, Hui; Addou, Rafik; Diaconescu, Bogdan; Ohta, Taisuke; Peng, Xin; Lu, Ning; Kim, Moon J; Robinson, Jeremy T; Wallace, Robert M; Mayer, Theresa S; Datta, Suman; Li, Lain-Jong; Robinson, Joshua A

    2014-12-10

    Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green's function (NEGF).

  20. Atomically Thin Heterostructures Based on Single-Layer Tungsten Diselenide and Graphene

    KAUST Repository

    Lin, Yu-Chuan

    2014-11-10

    Heterogeneous engineering of two-dimensional layered materials, including metallic graphene and semiconducting transition metal dichalcogenides, presents an exciting opportunity to produce highly tunable electronic and optoelectronic systems. In order to engineer pristine layers and their interfaces, epitaxial growth of such heterostructures is required. We report the direct growth of crystalline, monolayer tungsten diselenide (WSe2) on epitaxial graphene (EG) grown from silicon carbide. Raman spectroscopy, photoluminescence, and scanning tunneling microscopy confirm high-quality WSe2 monolayers, whereas transmission electron microscopy shows an atomically sharp interface, and low energy electron diffraction confirms near perfect orientation between WSe2 and EG. Vertical transport measurements across the WSe2/EG heterostructure provides evidence that an additional barrier to carrier transport beyond the expected WSe2/EG band offset exists due to the interlayer gap, which is supported by theoretical local density of states (LDOS) calculations using self-consistent density functional theory (DFT) and nonequilibrium Green\\'s function (NEGF).

  1. Interaction of molecular oxygen with single wall nanotubes: Role of surfactant contamination

    International Nuclear Information System (INIS)

    Larciprete, R.; Goldoni, A.; Lizzit, S.

    2003-01-01

    The interaction of molecular oxygen with single wall nanotubes in the form of a commercial bucky paper was investigated by high resolution photoemission spectroscopy. Sodium contamination was found in the sample, which was completely removed only after prolonged heating at 1250 K. The C 1s core level spectrum measured on the sample annealed to 1020 K dramatically changed upon exposure to molecular oxygen. On the contrary, when exposing the Na-free SWNTs to several KL of O 2 , the sample remained oxygen free and no modification in the C 1s core level was observed. Therefore the observed sensitivity of the sample to O 2 was due to a Na mediated oxidation, determining a charge transfer from the C tubes to the Na-O complex

  2. Slow-muon study of quaternary solar-cell materials: Single layers and p -n junctions

    Science.gov (United States)

    Alberto, H. V.; Vilão, R. C.; Vieira, R. B. L.; Gil, J. M.; Weidinger, A.; Sousa, M. G.; Teixeira, J. P.; da Cunha, A. F.; Leitão, J. P.; Salomé, P. M. P.; Fernandes, P. A.; Törndahl, T.; Prokscha, T.; Suter, A.; Salman, Z.

    2018-02-01

    Thin films and p -n junctions for solar cells based on the absorber materials Cu (In ,G a ) Se2 and Cu2ZnSnS4 were investigated as a function of depth using implanted low energy muons. The most significant result is a clear decrease of the formation probability of the Mu+ state at the heterojunction interface as well as at the surface of the Cu (In ,G a ) Se2 film. This reduction is attributed to a reduced bonding reaction of the muon in the absorber defect layer at its surface. In addition, the activation energies for the conversion from a muon in an atomiclike configuration to a anion-bound position are determined from temperature-dependence measurements. It is concluded that the muon probe provides a measurement of the effective surface defect layer width, both at the heterojunctions and at the films. The CIGS surface defect layer is crucial for solar-cell electrical performance and additional information can be used for further optimizations of the surface.

  3. Formation of single-walled aluminosilicate nanotubes from molecular precursors and curved nanoscale intermediates.

    Science.gov (United States)

    Yucelen, G Ipek; Choudhury, Rudra Prosad; Vyalikh, Anastasia; Scheler, Ulrich; Beckham, Haskell W; Nair, Sankar

    2011-04-13

    We report the identification and elucidation of the mechanistic role of molecular precursors and nanoscale (1-3 nm) intermediates with intrinsic curvature in the formation of single-walled aluminosilicate nanotubes. We characterize the structural and compositional evolution of molecular and nanoscale species over a length scale of 0.1-100 nm by electrospray ionization mass spectrometry, nuclear magnetic resonance spectroscopy ((27)Al liquid-state, (27)Al and (29)Si solid-state MAS), and dynamic light scattering. Together with structural optimization of key experimentally identified species by solvated density functional theory calculations, this study reveals the existence of intermediates with bonding environments, as well as intrinsic curvature, similar to the structure of the final nanotube product. We show that "proto-nanotube-like" intermediates with inherent curvature form in aqueous synthesis solutions immediately after initial hydrolysis of reactants, disappear from the solution upon heating to 95 °C due to condensation accompanied by an abrupt pH decrease, and finally form ordered single-walled aluminosilicate nanotubes. Detailed quantitative analysis of NMR and ESI-MS spectra from the relevant aluminosilicate, aluminate, and silicate solutions reveals the presence of a variety of monomeric and polymeric aluminate and aluminosilicate species (Al(1)Si(x)-Al(13)Si(x)), such as Keggin ions [AlO(4)Al(12)(OH)(24)(H(2)O)(12)](7+) and polynuclear species with a six-membered Al oxide ring unit. Our study also directly reveals the complexation of aluminate and aluminosilicate species with perchlorate species that most likely inhibit the formation of larger condensates or nontubular structures. Integration of all of our results leads to the construction of the first molecular-level mechanism of single-walled metal oxide nanotube formation, incorporating the role of monomeric and polymeric aluminosilicate species as well as larger nanoparticles. © 2011 American

  4. Simultaneous shunt protection and back contact formation for CdTe solar cells with single wall carbon nanotube layers

    Science.gov (United States)

    Phillips, Adam B.; Khanal, Rajendra R.; Song, Zhaoning; Watthage, Suneth C.; Kormanyos, Kenneth R.; Heben, Michael J.

    2015-12-01

    Thin film photovoltaic (PV) devices and modules prepared by commercial processes can be severely compromised by through-device low resistance electrical pathways. The defects can be due to thin or missing semiconductor material, metal diffusion along grain boundaries, or areas containing diodes with low turn-on potentials. We report the use of single wall carbon nanotube (SWCNT) layers to enable both protection against these defects and back contact formation for CdTe PV devices. Samples prepared with a SWCNT back contact exhibited good efficiency and did not require shunt protection, while devices prepared without shunt protection using a standard metal back contact performed poorly. We describe the mechanism by which the SWCNT layer functions. In addition to avoiding the need for shunt protection by other means, the SWCNT film also provides a route to higher short circuit currents.

  5. Quantum tunneling of magnetization in single molecular magnets coupled to ferromagnetic reservoirs

    Science.gov (United States)

    Misiorny, M.; Barnas, J.

    2007-04-01

    The role of spin polarized reservoirs in quantum tunneling of magnetization and relaxation processes in a single molecular magnet (SMM) is investigated theoretically. The SMM is exchange-coupled to the reservoirs and also subjected to a magnetic field varying in time, which enables the quantum tunneling of magnetization. The spin relaxation times are calculated from the Fermi golden rule. The exchange interaction of SMM and electrons in the leads is shown to affect the spin reversal due to quantum tunneling of magnetization. It is shown that the switching is associated with transfer of a certain charge between the leads.

  6. An improved method for the molecular identification of single dinoflagellate cysts

    Directory of Open Access Journals (Sweden)

    Yangchun Gao

    2017-04-01

    Full Text Available Background Dinoflagellate cysts (i.e., dinocysts are biologically and ecologically important as they can help dinoflagellate species survive harsh environments, facilitate their dispersal and serve as seeds for harmful algal blooms. In addition, dinocysts derived from some species can produce more toxins than vegetative forms, largely affecting species through their food webs and even human health. Consequently, accurate identification of dinocysts represents the first crucial step in many ecological studies. As dinocysts have limited or even no available taxonomic keys, molecular methods have become the first priority for dinocyst identification. However, molecular identification of dinocysts, particularly when using single cells, poses technical challenges. The most serious is the low success rate of PCR, especially for heterotrophic species. Methods In this study, we aim to improve the success rate of single dinocyst identification for the chosen dinocyst species (Gonyaulax spinifera, Polykrikos kofoidii, Lingulodinium polyedrum, Pyrophacus steinii, Protoperidinium leonis and Protoperidinium oblongum distributed in the South China Sea. We worked on two major technical issues: cleaning possible PCR inhibitors attached on the cyst surface and designing new dinoflagellate-specific PCR primers to improve the success of PCR amplification. Results For the cleaning of single dinocysts separated from marine sediments, we used ultrasonic wave-based cleaning and optimized cleaning parameters. Our results showed that the optimized ultrasonic wave-based cleaning method largely improved the identification success rate and accuracy of both molecular and morphological identifications. For the molecular identification with the newly designed dinoflagellate-specific primers (18S634F-18S634R, the success ratio was as high as 86.7% for single dinocysts across multiple taxa when using the optimized ultrasonic wave-based cleaning method, and much higher than that

  7. Super-Resolution Imaging of Molecular Emission Spectra and Single Molecule Spectral Fluctuations.

    Science.gov (United States)

    Mlodzianoski, Michael J; Curthoys, Nikki M; Gunewardene, Mudalige S; Carter, Sean; Hess, Samuel T

    2016-01-01

    Localization microscopy can image nanoscale cellular details. To address biological questions, the ability to distinguish multiple molecular species simultaneously is invaluable. Here, we present a new version of fluorescence photoactivation localization microscopy (FPALM) which detects the emission spectrum of each localized molecule, and can quantify changes in emission spectrum of individual molecules over time. This information can allow for a dramatic increase in the number of different species simultaneously imaged in a sample, and can create super-resolution maps showing how single molecule emission spectra vary with position and time in a sample.

  8. Molecular Field Calculation of Magnetization on NdRh2Ge2 Single Crystal

    Directory of Open Access Journals (Sweden)

    A. Himori

    2008-01-01

    Full Text Available Calculation of magnetization of the ternary single crystal compound NdRh2Ge2 has been carried out by using the wave-like molecular field model to explain the complex magnetic behavior. The field-induced magnetic structures having the propagation vectors, 2=(0,0,39/40, 3=(0,0,35/40, 4=(0,0,31/40, and 5=(0,0,0/40 (= the field-induced ferromagnetic phase were proposed. Calculation on the basis of these structures and the antiferromagnetic phase with 1=(0,0,1 well reproduces the experimental magnetization processes and - magnetic phase diagram.

  9. Direct and enantioselective α-allylation of ketones via singly occupied molecular orbital (SOMO) catalysis

    Science.gov (United States)

    Mastracchio, Anthony; Warkentin, Alexander A.; Walji, Abbas M.; MacMillan, David W. C.

    2010-01-01

    The first enantioselective organocatalytic α-allylation of cyclic ketones has been accomplished via singly occupied molecular orbital catalysis. Geometrically constrained radical cations, forged from the one-electron oxidation of transiently generated enamines, readily undergo allylic alkylation with a variety of commercially available allyl silanes. A reasonable latitude in both the ketone and allyl silane components is readily accommodated in this new transformation. Moreover, three new oxidatively stable imidazolidinone catalysts have been developed that allow cyclic ketones to successfully participate in this transformation. The new catalyst platform has also been exploited in the first catalytic enantioselective α-enolation and α-carbooxidation of ketones. PMID:20921367

  10. [Prediction of the molecular response to pertubations from single cell measurements].

    Science.gov (United States)

    Remacle, Françoise; Levine, Raphael D

    2014-12-01

    The response of protein signalization networks to perturbations is analysed from single cell measurements. This experimental approach allows characterizing the fluctuations in protein expression levels from cell to cell. The analysis is based on an information theoretic approach grounded in thermodynamics leading to a quantitative version of Le Chatelier principle which allows to predict the molecular response. Two systems are investigated: human macrophages subjected to lipopolysaccharide challenge, analogous to the immune response against Gram-negative bacteria and the response of the proteins involved in the mTOR signalizing network of GBM cancer cells to changes in partial oxygen pressure. © 2014 médecine/sciences – Inserm.

  11. Molecular dynamic simulation for nanometric cutting of single-crystal face-centered cubic metals.

    Science.gov (United States)

    Huang, Yanhua; Zong, Wenjun

    2014-01-01

    In this work, molecular dynamics simulations are performed to investigate the influence of material properties on the nanometric cutting of single crystal copper and aluminum with a diamond cutting tool. The atomic interactions in the two metallic materials are modeled by two sets of embedded atom method (EAM) potential parameters. Simulation results show that although the plastic deformation of the two materials is achieved by dislocation activities, the deformation behavior and related physical phenomena, such as the machining forces, machined surface quality, and chip morphology, are significantly different for different materials. Furthermore, the influence of material properties on the nanometric cutting has a strong dependence on the operating temperature.

  12. In Vitro Selection of a Single-Stranded DNA Molecular Recognition Element Specific for Bromacil

    Directory of Open Access Journals (Sweden)

    Ryan M. Williams

    2014-01-01

    Full Text Available Bromacil is a widely used herbicide that is known to contaminate environmental systems. Due to the hazards it presents and inefficient detection methods, it is necessary to create a rapid and efficient sensing device. Towards this end, we have utilized a stringent in vitro selection method to identify single-stranded DNA molecular recognition elements (MRE specific for bromacil. We have identified one MRE with high affinity (Kd=9.6 nM and specificity for bromacil compared to negative targets of selection and other pesticides. The selected ssDNA MRE will be useful as the sensing element in a field-deployable bromacil detection device.

  13. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    Energy Technology Data Exchange (ETDEWEB)

    Goto, Kaname [Department of Electronics, Graduate School of Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yamashita, Kenichi, E-mail: yamasita@kit.ac.jp [Faculty of Electrical Engineering and Electronics, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan); Yanagi, Hisao [Graduate School of Materials Science, Nara Institute of Science and Technology (NAIST), 8916-5 Takayama, Ikoma, Nara 630-0192 (Japan); Yamao, Takeshi; Hotta, Shu [Faculty of Materials Science and Technology, Kyoto Institute of Technology, Matsugasaki, Sakyo-ku, Kyoto 606-8585 (Japan)

    2016-08-08

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  14. Structural modeling of dahlia-type single-walled carbon nanohorn aggregates by molecular dynamics.

    Science.gov (United States)

    Hawelek, L; Brodka, A; Dore, John C; Hannon, Alex C; Iijima, S; Yudasaka, M; Ohba, T; Kaneko, K; Burian, A

    2013-09-19

    The structure of dahlia-type single-walled carbon nanohorn aggregates has been modeled by classical molecular dynamics simulations, and the validity of the model has been verified by neutron diffraction. Computer-generated models consisted of an outer part formed from single-walled carbon nanohorns with diameters of 20-50 Å and a length of 400 Å and an inner turbostratic graphite-like core with a diameter of 130 Å. The diffracted intensity and the pair correlation function computed for such a constructed model are in good agreement with the neutron diffraction experimental data. The proposed turbostratic inner core explains the occurrence of the additional (002) and (004) graphitic peaks in the diffraction pattern of the studied sample and provides information about the interior structure of the dahlia-type aggregates.

  15. Molecular beam epitaxy of single crystalline GaN nanowires on a flexible Ti foil

    Science.gov (United States)

    Calabrese, Gabriele; Corfdir, Pierre; Gao, Guanhui; Pfüller, Carsten; Trampert, Achim; Brandt, Oliver; Geelhaar, Lutz; Fernández-Garrido, Sergio

    2016-05-01

    We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pave the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.

  16. Molecular beam epitaxy of single crystalline GaN nanowires on a flexible Ti foil

    International Nuclear Information System (INIS)

    Calabrese, Gabriele; Corfdir, Pierre; Gao, Guanhui; Pfüller, Carsten; Trampert, Achim; Brandt, Oliver; Geelhaar, Lutz; Fernández-Garrido, Sergio

    2016-01-01

    We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pave the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.

  17. Innovative molecular-based fluorescent nanoparticles for multicolor single particle tracking in cells

    International Nuclear Information System (INIS)

    Daniel, Jonathan; Blanchard-Desce, Mireille; Godin, Antoine G; Palayret, Matthieu; Lounis, Brahim; Cognet, Laurent

    2016-01-01

    Based on an original molecular-based design, we present bright and photostable fluorescent organic nanoparticles (FONs) showing excellent colloidal stability in various aqueous environments. Complementary near-infrared emitting and green emitting FONs were prepared using a simple, fast and robust protocol. Both types of FONs could be simultaneously imaged at the single-particle level in solution as well as in biological environments using a monochromatic excitation and a dual-color fluorescence microscope. No evidence of acute cytotoxicity was found upon incubation of live cells with mixed solutions of FONs, and both types of nanoparticles were found internalized in the cells where their motion could be simultaneously tracked at video-rate up to minutes. These fluorescent organic nanoparticles open a novel non-toxic alternative to existing nanoparticles for imaging biological structures, compatible with live-cell experiments and specially fitted for multicolor single particle tracking. (paper)

  18. Effect of Adsorbed Alcohol Layers on the Behavior of Water Molecules Confined in a Graphene Nanoslit: A Molecular Dynamics Study.

    Science.gov (United States)

    Gao, Qingwei; Zhu, Yudan; Ruan, Yang; Zhang, Yumeng; Zhu, Wei; Lu, Xiaohua; Lu, Linghong

    2017-10-24

    With the rapid development of a two-dimensional (2D) nanomaterial, the confined liquid binary mixture has attracted increasing attention, which has significant potential in membrane separation. Alcohol/water is one of the most common systems in liquid-liquid separation. As one of the most focused systems, recent studies have found that ethanol molecules were preferentially adsorbed on the inner surface of the pore wall and formed an adsorbed ethanol layer under 2D nanoconfinement. To evaluate the effect of the alcohol adsorption layer on the mobility of water molecules, molecular simulations were performed to investigate four types of alcohol/water binary mixtures confined under a 20 Å graphene slit. Residence times of the water molecules covering the alcohol layer were in the order of methanol/water molecules and the surrounding water molecules could induce a small degree of damage to the H-bond network of the water molecules covering the alcohol layer, resulting in the long residence time of the water molecules.

  19. Solute transport in a single fracture involving an arbitrary length decay chain with rock matrix comprising different geological layers.

    Science.gov (United States)

    Mahmoudzadeh, Batoul; Liu, Longcheng; Moreno, Luis; Neretnieks, Ivars

    2014-08-01

    A model is developed to describe solute transport and retention in fractured rocks. It accounts for advection along the fracture, molecular diffusion from the fracture to the rock matrix composed of several geological layers, adsorption on the fracture surface, adsorption in the rock matrix layers and radioactive decay-chains. The analytical solution, obtained for the Laplace-transformed concentration at the outlet of the flowing channel, can conveniently be transformed back to the time domain by the use of the de Hoog algorithm. This allows one to readily include it into a fracture network model or a channel network model to predict nuclide transport through channels in heterogeneous fractured media consisting of an arbitrary number of rock units with piecewise constant properties. More importantly, the simulations made in this study recommend that it is necessary to account for decay-chains and also rock matrix comprising at least two different geological layers, if justified, in safety and performance assessment of the repositories for spent nuclear fuel. Copyright © 2014 Elsevier B.V. All rights reserved.

  20. [Observation of single-layered inverted internal limiting membrane flap technique for macular hole with retinal detachment in high myopia].

    Science.gov (United States)

    Xu, C Z; Wu, J H; He, J W; Feng, C

    2017-05-11

    Objective: To compare the outcome of pars plana vitrectomy (PPV) with a single-layered inverted internal limiting membrane (ILM) flap versus PPV with ILM peeling for the treatment of macular hole associated retinal detachment (MHRD) in high myopia. Methods: In a retrospective cohort study, PPV with 2 kinds of adjuvant surgical procedures were used in 35 moderately high myopia eyes with MHRD. These eyes were divided into 2 groups: group 1 (17 eyes) receiving PPV and ILM peeling and group 2 (18 eyes) receiving PPV with a single-layered inverted ILM flap. Anatomical reattachment of the retina, macular hole closure, and best-corrected visual acuity (BCVA) were measured at 6 months after surgery. Results: The retina was successfully reattached in all cases. The difference of the retinal reattachment rate between the two groups was not statistically significant (Fisher's exact test, P= 1.000). The rate of macular hole closure was 47.1% in group 1 (8 eyes) and 88.9% in group 2 (16 eyes). The difference of the macular hole closure rate between the two groups was statistically significant (Fisher's exact test, P= 0.012). Significant improvement in logarithm of minimal angle of resolution (logMAR) BCVA was achieved in both groups. There was no difference in the initial, final, or improved logMAR BCVA in the 2 groups. Conclusion: Single-layered inverted ILM flap technique effectively helps close the macular hole in moderately high myopia with MHRD. This may prevent the possible redetachment from the macular hole. (Chin J Ophthalmol, 2017, 53: 338 - 343) .

  1. The Electronic and Optical Properties of Au Doped Single-Layer Phosphorene

    Science.gov (United States)

    Zhu, Ziqing; Chen, Changpeng; Liu, Jiayi; Han, Lu

    2018-01-01

    The electronic properties and optical properties of single and double Au-doped phosphorene have been comparatively investigated using the first-principles plane-wave pseudopotential method based on density functional theory. The decrease from direct band gap 0.78 eV to indirect band gap 0.22 and 0.11 eV are observed in the single and double Au-doped phosphorene, respectively. The red shifts of absorbing edge occur in both doped systems, which consequently enhance the absorbing of infrared light in phosphorene. Band gap engineering can, therefore, be used to directly tune the optical absorption of phosphorene system by substitutional Au doping.

  2. Solid-state molecular organometallic chemistry. Single-crystal to single-crystal reactivity and catalysis with light hydrocarbon substrates.

    Science.gov (United States)

    Chadwick, F Mark; McKay, Alasdair I; Martinez-Martinez, Antonio J; Rees, Nicholas H; Krämer, Tobias; Macgregor, Stuart A; Weller, Andrew S

    2017-08-01

    0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 CHCD 3 , using [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] scrambles the D-label into all possible positions of the propene, as shown by isotopic perturbation of equilibrium measurements for the agostic interaction. Periodic DFT calculations show a low barrier to H/D exchange (10.9 kcal mol -1 , PBE-D3 level), and GIPAW chemical shift calculations guide the assignment of the experimental data. When synthesized using solution routes a bis-propene complex, [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(propene) 2 ][BAr F 4 ] , is formed. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(butene)][BAr F 4 ] ( x = 1) is characterized as having 2-butene bound as the cis -isomer and a single Rh···H 3 C agostic interaction. In the solid-state two low-energy fluxional processes are proposed. The first is a simple libration of the 2-butene that exchanges the agostic interaction, and the second is a butene isomerization process that proceeds via an allyl-hydride intermediate with a low computed barrier of 14.5 kcal mol -1 . [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA)][BAr F 4 ] and the polymorphs of [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(ethene) 2 ][BAr F 4 ] are shown to be effective in solid-state molecular organometallic catalysis (SMOM-Cat) for the isomerization of 1-butene to a mixture of cis - and trans -2-butene at 298 K and 1 atm, and studies suggest that catalysis is likely dominated by surface-active species. [Rh(Cy 2 PCH 2 CH 2 PCy 2 )(η 2 η 2 -NBA

  3. Effects of a saturated layer and recirculation on nitrogen treatment performances of a single stage Vertical Flow Constructed Wetland (VFCW).

    Science.gov (United States)

    Prigent, S; Paing, J; Andres, Y; Chazarenc, F

    2013-01-01

    Upgrades to enhance nitrogen removal were tested in a 2 year old pilot vertical flow constructed wetland in spring and summer periods. The effects of a saturated layer and of recirculation were tested in particular. Two pilots (L = 2 m, W = 1.25 m, H = 1.2 m), filled with expanded schist (Mayennite(®)), were designed with hydraulic saturated layers of 20 and 40 cm at the bottom. Each pilot was fed with raw domestic wastewater under field conditions according to a hydraulic load of 15-38 cm d(-1) (i.e. 158-401 g COD (chemical oxygen demand) m(-2) d(-1)) and to recirculation rates ranging from 0% up to 150%. The initial load during the first 2 years of operation resulted in an incomplete mineralized accumulated sludge leading to total suspended solids (TSS), COD and biochemical oxygen demand (BOD5) release. A 40 cm hydraulic saturated layer enabled an increase of 5-10% total nitrogen (TN) removal compared to a 20 cm saturated layer. Recirculation allowed the dilution of raw wastewater and enhanced nitrification in a single stage. A design of 1.8 m² pe(-1) (48 cm d(-1), 191 g COD m(-2) d(-1)) with a 40 cm saturated layer and 100% recirculation enabled the French standard D4 (35 mg TSS L(-1), 125 mg COD L(-1), 25 mg BOD5 L(-1)), nitrogen concentrations below 20 mg TKN (total Kjeldahl nitrogen) L(-1) and 50 mg TN L(-1), to be met.

  4. Use of Single-Layer g-C3N4/Ag Hybrids for Surface-Enhanced Raman Scattering (SERS)

    OpenAIRE

    Jiang, Jizhou; Zou, Jing; Wee, Andrew Thye Shen; Zhang, Wenjing

    2016-01-01

    Surface-enhanced Raman scattering (SERS) substrates with high activity and stability are desirable for SERS sensing. Here, we report a new single atomic layer graphitic-C3N4 (S-g-C3N4) and Ag nanoparticles (NPs) hybrid as high-performance SERS substrates. The SERS mechanism of the highly stable S-g-C3N4/Ag substrates was systematically investigated by a combination of experiments and theoretical calculations. From the results of XPS and Raman spectroscopies, it was found that there was a stro...

  5. Effect of ethanethiolate spacer on morphology and optical responses of Ag nanoparticle array-single layer graphene hybrid systems

    Czech Academy of Sciences Publication Activity Database

    Sutrová, Veronika; Šloufová, I.; Melníková Komínková, Zuzana; Kalbáč, Martin; Pavlova, Ewa; Vlčková, B.

    2017-01-01

    Roč. 33, č. 50 (2017), s. 14414-14424 ISSN 0743-7463 R&D Projects: GA ČR(CZ) GA15-01953S; GA MŠk(CZ) LM2015073 Grant - others:GA MŠk(CZ) CZ.02.1.01/0.0/0.0/16_013/0001821 Institutional support: RVO:61389013 ; RVO:61388955 Keywords : Ag nanoparticle * single layer graphene * ethanethiol Subject RIV: JI - Composite Materials; CF - Physical ; Theoretical Chemistry (UFCH-W) OBOR OECD: Composites (including laminates, reinforced plastics, cermets, combined natural and synthetic fibre fabrics; Physical chemistry (UFCH-W) Impact factor: 3.833, year: 2016

  6. Model for a collimated spin-wave beam generated by a single-layer spin torque nanocontact

    Science.gov (United States)

    Hoefer, M. A.; Silva, T. J.; Stiles, M. D.

    2008-04-01

    A model of spin-torque-induced magnetization dynamics based on semiclassical spin diffusion theory for a single-layer nanocontact is presented. The model incorporates effects due to the current-induced Oersted field and predicts the generation of a variety of spatially dependent, coherent, precessional magnetic wave structures. Directionally controllable collimated spin-wave beams, vortex spiral waves, and localized standing waves are found to be excited by the interplay of the Oersted field and the orientation of an applied field. These fields act as a spin-wave “corral” around the nanocontact that controls the propagation of spin waves in certain directions.

  7. Anisotropic Young's Modulus for Single-Layer Black Phosphorus: The Third Principle Direction Besides Armchair and Zigzag

    OpenAIRE

    Jiang, Jin-Wu

    2015-01-01

    We derive an analytic formula for the Young's modulus in single-layer black phosphorus using the valence force field model. By analyzing the directional dependence for the Young's modulus, we explore the third principle direction with direction angle phi_tp = 0.268pi besides armchair and zigzag directions. The maximum Young's modulus value is in the third principle direction. More specifically, the Young's modulus is 52.2 N/m, 85.4 N/m, and 111.4 N/m in the armchair direction, zigzag directio...

  8. Ion assisted structural collapse of a single stranded DNA: A molecular dynamics approach

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Soumadwip; Dixit, Himanshu; Chakrabarti, Rajarshi, E-mail: rajarshi@chem.iitb.ac.in

    2015-09-28

    Highlights: • The dynamics of a single-stranded DNA in presence of different concentrations of Mg{sup 2+} is investigated. • The initial DNA chain collapse is characterized by the formation of non-sequentially stacked base pairs. • The DNA chain re-swells at high concentrations of Mg{sup 2+} as a consequence of overcharging. - Abstract: The structure and dynamics of negatively charged nucleic acids strongly correlate with the concentration and charge of the oppositely charged counterions. It is well known that the structural collapse of DNA is favoured in the presence of additional salt, a source of excess oppositely charged ions. Under such conditions single stranded DNA adopts a collapsed coil like conformation, typically characterized by stacking base pairs. Using atomistic molecular dynamics simulation, we demonstrate that in the presence of additional divalent salt (MgCl{sub 2}) single stranded DNA with base sequence 5′-CGCGAATTCGCG-3′ (Dickerson Drew dodecamer) initially collapses and then expands with increasing salt concentration. This is due to the overcharging induced DNA chain swelling, a dominant factor at a higher divalent salt concentration. In a nutshell, our simulations show how in the presence of divalent salt, non-sequential base stacking and overcharging competes and affect single stranded DNA dynamics unlike a monovalent salt.

  9. Latent Membrane Protein 1 as a molecular adjuvant for single-cycle lentiviral vaccines

    Directory of Open Access Journals (Sweden)

    Rahmberg Andrew R

    2011-05-01

    Full Text Available Abstract Background Molecular adjuvants are a promising method to enhance virus-specific immune responses and protect against HIV-1 infection. Immune activation by ligands for receptors such as CD40 can induce dendritic cell activation and maturation. Here we explore the incorporation of two CD40 mimics, Epstein Barr Virus gene LMP1 or an LMP1-CD40 chimera, into a strain of SIV that was engineered to be limited to a single cycle of infection. Results Full length LMP1 or the chimeric protein LMP1-CD40 was cloned into the nef-locus of single-cycle SIV. Human and Macaque monocyte derived macrophages and DC were infected with these viruses. Infected cells were analyzed for activation surface markers by flow cytometry. Cells were also analyzed for secretion of pro-inflammatory cytokines IL-1β, IL-6, IL-8, IL-12p70 and TNF by cytometric bead array. Conclusions Overall, single-cycle SIV expressing LMP1 and LMP1-CD40 produced a broad and potent TH1-biased immune response in human as well as rhesus macaque macrophages and DC when compared with control virus. Single-cycle SIV-LMP1 also enhanced antigen presentation by lentiviral vector vaccines, suggesting that LMP1-mediated immune activation may enhance lentiviral vector vaccines against HIV-1.

  10. Nonequilibrium Chemical Effects in Single-Molecule SERS Revealed by Ab Initio Molecular Dynamics Simulations

    Energy Technology Data Exchange (ETDEWEB)

    Fischer, Sean A.; Apra, Edoardo; Govind, Niranjan; Hess, Wayne P.; El-Khoury, Patrick Z.

    2017-02-03

    Recent developments in nanophotonics have paved the way for achieving significant advances in the realm of single molecule chemical detection, imaging, and dynamics. In particular, surface-enhanced Raman scattering (SERS) is a powerful analytical technique that is now routinely used to identify the chemical identity of single molecules. Understanding how nanoscale physical and chemical processes affect single molecule SERS spectra and selection rules is a challenging task, and is still actively debated. Herein, we explore underappreciated chemical phenomena in ultrasensitive SERS. We observe a fluctuating excited electronic state manifold, governed by the conformational dynamics of a molecule (4,4’-dimercaptostilbene, DMS) interacting with a metallic cluster (Ag20). This affects our simulated single molecule SERS spectra; the time trajectories of a molecule interacting with its unique local environment dictates the relative intensities of the observable Raman-active vibrational states. Ab initio molecular dynamics of a model Ag20-DMS system are used to illustrate both concepts in light of recent experimental results.

  11. Roles of N-methyl-d-aspartate receptors during the sensory stimulation-evoked field potential responses in mouse cerebellar cortical molecular layer.

    Science.gov (United States)

    Xu, Yin-Hua; Zhang, Guang-Jian; Zhao, Jing-Tong; Chu, Chun-Ping; Li, Yu-Zi; Qiu, De-Lai

    2017-11-01

    The functions of N-methyl-d-aspartate receptors (NMDARs) in cerebellar cortex have been widely studied under in vitro condition, but their roles during the sensory stimulation-evoked responses in the cerebellar cortical molecular layer in living animals are currently unclear. We here investigated the roles of NMDARs during the air-puff stimulation on ipsilateral whisker pad-evoked field potential responses in cerebellar cortical molecular layer in urethane-anesthetized mice by electrophysiological recording and pharmacological methods. Our results showed that cerebellar surface administration of NMDA induced a dose-dependent decrease in amplitude of the facial stimulation-evoked inhibitory responses (P1) in the molecular layer, accompanied with decreases in decay time, half-width and area under curve (AUC) of P1. The IC 50 of NMDA induced inhibition in amplitude of P1 was 46.5μM. In addition, application of NMDA induced significant increases in the decay time, half-width and AUC values of the facial stimulation-evoked excitatory responses (N1) in the molecular layer. Application of an NMDAR blocker, D-APV (250μM) abolished the facial stimulation-evoked P1 in the molecular layer. These results suggested that NMDARs play a critical role during the sensory information processing in cerebellar cortical molecular layer in vivo in mice. Copyright © 2017 Elsevier B.V. All rights reserved.

  12. Defect characterization of Ga4Se3S layered single crystals by ...

    Indian Academy of Sciences (India)

    Experimental details. Ga4Se3S polycrystals were synthesized from high-purity elements prepared in stoi- chiometric proportions.Gallium (Aldrich cat. no. 263273), selenium (Aldrich cat.no. 204307) and sulphur (Fluka cat. no. 84680) were of 99.999% purity. Ga4Se3S single crystals were grown by Bridgman method from the ...

  13. Defect characterization of Ga4Se3S layered single crystals by ...

    Indian Academy of Sciences (India)

    Trapping centres in undoped Ga 4 Se 3 S single crystals grown by Bridgman method were characterized for the first time by thermoluminescence (TL) measurements carried out in the low temperature range of 15−300 K. After illuminating the sample with blue light (∼470 nm) at 15 K, TL glow curve exhibited one peak ...

  14. Electric-field effects on magnetic properties of molecular beam epitaxially grown thin (Ga,Mn)Sb layers

    Science.gov (United States)

    Chang, H. W.; Akita, S.; Matsukura, F.; Ohno, H.

    2014-09-01

    We report molecular beam epitaxy of a ferromagnetic semiconductor (Ga,Mn)Sb, which is a single crystal without detectable second phases. We report also the details of magnetotransport properties of (Ga,Mn)Sb and the effects of electric fields on them. The difference between the properties observed here and properties of those reported earlier for a ferromagnetic semiconductor (Ga,Mn)As, provides information critical for further understanding of fundamental and device physics of ferromagnetic semiconductors.

  15. Band lineup in GaAs(1-x)Sbx/GaAs strained-layer multiple quantum wells grown by molecular-beam epitaxy

    Science.gov (United States)

    Ji, G.; Agarwala, S.; Huang, D.; Chyi, J.; Morkoc, H.

    1988-11-01

    GaAs(1-x)Sbx/GaAs strained-layer multiple quantum wells have been grown by molecular-beam epitaxy and characterized by room-temperature photoreflectance (PR). The PR spectra denote that high-quality layers can be grown in the GaAs(1-x)Sbx/GaAs system. The method for determining the band offset Q(vh) is discussed in this strained-layer system.

  16. Single-site Lennard-Jones models via polynomial chaos surrogates of Monte Carlo molecular simulation

    KAUST Repository

    Kadoura, Ahmad Salim

    2016-06-01

    In this work, two Polynomial Chaos (PC) surrogates were generated to reproduce Monte Carlo (MC) molecular simulation results of the canonical (single-phase) and the NVT-Gibbs (two-phase) ensembles for a system of normalized structureless Lennard-Jones (LJ) particles. The main advantage of such surrogates, once generated, is the capability of accurately computing the needed thermodynamic quantities in a few seconds, thus efficiently replacing the computationally expensive MC molecular simulations. Benefiting from the tremendous computational time reduction, the PC surrogates were used to conduct large-scale optimization in order to propose single-site LJ models for several simple molecules. Experimental data, a set of supercritical isotherms, and part of the two-phase envelope, of several pure components were used for tuning the LJ parameters (ε, σ). Based on the conducted optimization, excellent fit was obtained for different noble gases (Ar, Kr, and Xe) and other small molecules (CH4, N2, and CO). On the other hand, due to the simplicity of the LJ model used, dramatic deviations between simulation and experimental data were observed, especially in the two-phase region, for more complex molecules such as CO2 and C2 H6.

  17. VNAR single-domain antibodies specific for BAFF inhibit B cell development by molecular mimicry.

    Science.gov (United States)

    Häsler, Julien; Flajnik, Martin F; Williams, Gareth; Walsh, Frank S; Rutkowski, J Lynn

    2016-07-01

    B cell-activating factor (BAFF) plays a dominant role in the B cell homeostasis. However, excessive BAFF promotes the development of autoreactive B-cells and several antibodies have been developed to block its activity. Bispecific antibodies with added functionality represent the next wave of biologics that may be more effective in the treatment of complex autoimmune disease. The single variable domain from the immunoglobulin new antigen receptor (VNAR) is one of the smallest antibody recognition units that could be combined with monospecific antibodies to develop bispecific agents. We isolated a panel of BAFF-binding VNARs with low nM potency from a semi-synthetic phage display library and examined their functional activity. The anti-BAFF VNARs blocked the binding of BAFF to all three of its receptors (BR3, TACI and BCMA) and the presence of the conserved DXL receptor motif found in the CDR3 regions suggests molecular mimicry as the mechanism of antagonism. One clone was formatted as an Fc fusion for functional testing and it was found to inhibit both mouse and human BAFF with equal potency ex vivo in a splenocyte proliferation assay. In mice, subchronic administration reduced the number of immature and transitional intermediates B cells and mature B cell subsets. These results indicate that VNAR single domain antibodies function as selective B-cell inhibitors and offer an alternative molecular format for targeting B-cell disorders. Copyright © 2016 Elsevier Ltd. All rights reserved.

  18. Single intra-articular injection of high molecular weight hyaluronic acid for hip osteoarthritis.

    Science.gov (United States)

    Rivera, Fabrizio

    2016-03-01

    Intra-articular (IA) injection of hyaluronic acid (HA) into the hip joint appears to be safe and well tolerated but only a small number of randomized clinical trials in humans has been published. The objective of this prospective study was to evaluate the efficacy and safety of a single IA injection of high-molecular-weight (2800 kDa) HA (Coxarthrum) for hip osteoarthritis. All patients received a single IA administration of 2.5 % sodium hyaluronate (75 mg/3 mL) of high molecular weight. Fluoroscopy requires an iodized contrast medium (iopamidol, 1 ml) which highlights the capsule before administering HA. Patients were evaluated before IA injection (T0), after 3 months, after 6 months and after 1 year from injection. Results were evaluated by the Brief Pain Inventory (BPI II), Harris Hip Score and a visual analog scale of pain (pain VAS). All treated patients were considered for statistical analysis. Two hundred seven patients were included at T0. The mean age was 67 years (range 46-81). Regarding BPI severity score, changes in pain between T0 and the three following visits were statistically highly significant (p injection of Coxarthrum is effective from the third month and that the results are stable or continue to improve up to 1 year. IV.

  19. Radiative effect differences between multi-layered and single-layer clouds derived from CERES, CALIPSO, and CloudSat data

    International Nuclear Information System (INIS)

    Li Jiming; Yi Yuhong; Minnis, Patrick; Huang Jianping; Yan Hongru; Ma Yuejie; Wang Wencai; Kirk Ayers, J.

    2011-01-01

    Clouds alter general circulation through modification of the radiative heating profile within the atmosphere. Their effects are complex and depend on height, vertical structure, and phase. The instantaneous cloud radiative effect (CRE) induced by multi-layered (ML) and single-layer (SL) clouds is estimated by analyzing data collected by the Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), CloudSat, and Clouds and Earth's Radiation Energy Budget System (CERES) missions from March 2007 through February 2008. The CRE differences between ML and SL clouds at the top of the atmosphere (TOA) and at the surface were also examined. The zonal mean shortwave (SW) CRE differences between the ML and SL clouds at the TOA and surface were positive at most latitudes, peaking at 120 W m -2 in the tropics and dropping to -30 W m -2 at higher latitudes. This indicated that the ML clouds usually reflected less sunlight at the TOA and transmitted more to the surface than the SL clouds, due to their higher cloud top heights. The zonal mean longwave (LW) CRE differences between ML and SL clouds at the TOA and surface were relatively small, ranging from -30 to 30 W m -2 . This showed that the ML clouds only increased the amount of thermal radiation at the TOA relative to the SL clouds in the tropics, decreasing it elsewhere. In other words, ML clouds tended to cool the atmosphere in the tropics and warm it elsewhere when compared to SL clouds. The zonal mean net CRE differences were positive at most latitudes and dominated by the SW CRE differences.

  20. Synthetic lethality between gene defects affecting a single non-essential molecular pathway with reversible steps.

    Directory of Open Access Journals (Sweden)

    Andrei Zinovyev

    2013-04-01

    Full Text Available Systematic analysis of synthetic lethality (SL constitutes a critical tool for systems biology to decipher molecular pathways. The most accepted mechanistic explanation of SL is that the two genes function in parallel, mutually compensatory pathways, known as between-pathway SL. However, recent genome-wide analyses in yeast identified a significant number of within-pathway negative genetic interactions. The molecular mechanisms leading to within-pathway SL are not fully understood. Here, we propose a novel mechanism leading to within-pathway SL involving two genes functioning in a single non-essential pathway. This type of SL termed within-reversible-pathway SL involves reversible pathway steps, catalyzed by different enzymes in the forward and backward directions, and kinetic trapping of a potentially toxic intermediate. Experimental data with recombinational DNA repair genes validate the concept. Mathematical modeling recapitulates the possibility of kinetic trapping and revealed the potential contributions of synthetic, dosage-lethal interactions in such a genetic system as well as the possibility of within-pathway positive masking interactions. Analysis of yeast gene interaction and pathway data suggests broad applicability of this novel concept. These observations extend the canonical interpretation of synthetic-lethal or synthetic-sick interactions with direct implications to reconstruct molecular pathways and improve therapeutic approaches to diseases such as cancer.

  1. Transcriptional profiling at whole population and single cell levels reveals somatosensory neuron molecular diversity

    Science.gov (United States)

    Chiu, Isaac M; Barrett, Lee B; Williams, Erika K; Strochlic, David E; Lee, Seungkyu; Weyer, Andy D; Lou, Shan; Bryman, Gregory S; Roberson, David P; Ghasemlou, Nader; Piccoli, Cara; Ahat, Ezgi; Wang, Victor; Cobos, Enrique J; Stucky, Cheryl L; Ma, Qiufu; Liberles, Stephen D; Woolf, Clifford J

    2014-01-01

    The somatosensory nervous system is critical for the organism's ability to respond to mechanical, thermal, and nociceptive stimuli. Somatosensory neurons are functionally and anatomically diverse but their molecular profiles are not well-defined. Here, we used transcriptional profiling to analyze the detailed molecular signatures of dorsal root ganglion (DRG) sensory neurons. We used two mouse reporter lines and surface IB4 labeling to purify three major non-overlapping classes of neurons: 1) IB4+SNS-Cre/TdTomato+, 2) IB4−SNS-Cre/TdTomato+, and 3) Parv-Cre/TdTomato+ cells, encompassing the majority of nociceptive, pruriceptive, and proprioceptive neurons. These neurons displayed distinct expression patterns of ion channels, transcription factors, and GPCRs. Highly parallel qRT-PCR analysis of 334 single neurons selected by membership of the three populations demonstrated further diversity, with unbiased clustering analysis identifying six distinct subgroups. These data significantly increase our knowledge of the molecular identities of known DRG populations and uncover potentially novel subsets, revealing the complexity and diversity of those neurons underlying somatosensation. DOI: http://dx.doi.org/10.7554/eLife.04660.001 PMID:25525749

  2. Molecular dynamics simulations on aqueous two-phase systems - Single PEG-molecules in solution

    Directory of Open Access Journals (Sweden)

    Oelmeier Stefan A

    2012-08-01

    Full Text Available Abstract Background Molecular Dynamics (MD simulations are a promising tool to generate molecular understanding of processes related to the purification of proteins. Polyethylene glycols (PEG of various length are commonly used in the production and purification of proteins. The molecular mechanisms behind PEG driven precipitation, aqueous two-phase formation or the effects of PEGylation are however still poorly understood. Results In this paper, we ran MD simulations of single PEG molecules of variable length in explicitly simulated water. The resulting structures are in good agreement with experimentally determined 3D structures of PEG. The increase in surface hydrophobicity of PEG of longer chain length could be explained on an atomic scale. PEG-water interactions as well as aqueous two-phase formation in the presence of PO4 were found to be correlated to PEG surface hydrophobicity. Conclusions We were able to show that the taken MD simulation approach is capable of generating both structural data as well as molecule descriptors in agreement with experimental data. Thus, we are confident of having a good in silico representation of PEG.

  3. Single NdPc2 molecules on surfaces. Adsorption, interaction, and molecular magnetism

    International Nuclear Information System (INIS)

    Fahrendorf, Sarah

    2013-01-01

    -polarized 4f-states of the central Nd ion by means of STM and STS. This important and unique characteristic absent for late lanthanide double-decker phthalocyanine molecules opens the door for direct reading and writing of the molecular spin-state by purely electrical means. In view of the intended investigations of the magnetic properties of the NdPc2 molecule coupled to ferromagnetic surfaces, spin-polarized STM investigations of the second atomic layer of Fe on W(110) are performed. Here, bulk Cr-tips are used, which were ex-situ electrochemically etched from a Cr rod. Further in-situ treatment is shown to have no essential influence on the magnetic properties of the tips. The reproducible and reliable preparation of the ferromagnetic substrate and the Cr-tips is the basis for further investigations of the NdPc 2 molecule adsorbed on the second atomic layer of Fe on W(110). Preliminary STM and STS results give strong evidence, that the direct access to the spin-polarized 4f-states is also feasible after adsorption of the double-decker molecule on a ferromagnetic substrate.

  4. Single NdPc{sub 2} molecules on surfaces. Adsorption, interaction, and molecular magnetism

    Energy Technology Data Exchange (ETDEWEB)

    Fahrendorf, Sarah

    2013-01-24

    spin-polarized 4f-states of the central Nd ion by means of STM and STS. This important and unique characteristic absent for late lanthanide double-decker phthalocyanine molecules opens the door for direct reading and writing of the molecular spin-state by purely electrical means. In view of the intended investigations of the magnetic properties of the NdPc2 molecule coupled to ferromagnetic surfaces, spin-polarized STM investigations of the second atomic layer of Fe on W(110) are performed. Here, bulk Cr-tips are used, which were ex-situ electrochemically etched from a Cr rod. Further in-situ treatment is shown to have no essential influence on the magnetic properties of the tips. The reproducible and reliable preparation of the ferromagnetic substrate and the Cr-tips is the basis for further investigations of the NdPc{sub 2} molecule adsorbed on the second atomic layer of Fe on W(110). Preliminary STM and STS results give strong evidence, that the direct access to the spin-polarized 4f-states is also feasible after adsorption of the double-decker molecule on a ferromagnetic substrate.

  5. Multi-scale Modeling of Compressible Single-phase Flow in Porous Media using Molecular Simulation

    KAUST Repository

    Saad, Ahmed Mohamed

    2016-05-01

    In this study, an efficient coupling between Monte Carlo (MC) molecular simulation and Darcy-scale flow in porous media is presented. The cell-centered finite difference method with a non-uniform rectangular mesh were used to discretize the simulation domain and solve the governing equations. To speed up the MC simulations, we implemented a recently developed scheme that quickly generates MC Markov chains out of pre-computed ones, based on the reweighting and reconstruction algorithm. This method astonishingly reduces the required computational time by MC simulations from hours to seconds. In addition, the reweighting and reconstruction scheme, which was originally designed to work with the LJ potential model, is extended to work with a potential model that accounts for the molecular quadrupole moment of fluids with non-spherical molecules such as CO2. The potential model was used to simulate the thermodynamic equilibrium properties for single-phase and two-phase systems using the canonical ensemble and the Gibbs ensemble, respectively. Comparing the simulation results with the experimental data showed that the implemented model has an excellent fit outperforming the standard LJ model. To demonstrate the strength of the proposed coupling in terms of computational time efficiency and numerical accuracy in fluid properties, various numerical experiments covering different compressible single-phase flow scenarios were conducted. The novelty in the introduced scheme is in allowing an efficient coupling of the molecular scale and Darcy scale in reservoir simulators. This leads to an accurate description of the thermodynamic behavior of the simulated reservoir fluids; consequently enhancing the confidence in the flow predictions in porous media.

  6. Single-unit-cell layer established Bi 2 WO 6 3D hierarchical architectures: Efficient adsorption, photocatalysis and dye-sensitized photoelectrochemical performance

    Energy Technology Data Exchange (ETDEWEB)

    Huang, Hongwei; Cao, Ranran; Yu, Shixin; Xu, Kang; Hao, Weichang; Wang, Yonggang; Dong, Fan; Zhang, Tierui; Zhang, Yihe

    2017-12-01

    Single-layer catalysis sparks huge interests and gains widespread attention owing to its high activity. Simultaneously, three-dimensional (3D) hierarchical structure can afford large surface area and abundant reactive sites, contributing to high efficiency. Herein, we report an absorbing single-unit-cell layer established Bi2WO6 3D hierarchical architecture fabricated by a sodium dodecyl benzene sulfonate (SDBS)-assisted assembled strategy. The DBS- long chains can adsorb on the (Bi2O2)2+ layers and hence impede stacking of the layers, resulting in the single-unit-cell layer. We also uncovered that SDS with a shorter chain is less effective than SDBS. Due to the sufficient exposure of surface O atoms, single-unit-cell layer 3D Bi2WO6 shows strong selectivity for adsorption on multiform organic dyes with different charges. Remarkably, the single-unit-cell layer 3D Bi2WO6 casts profoundly enhanced photodegradation activity and especially a superior photocatalytic H2 evolution rate, which is 14-fold increase in contrast to the bulk Bi2WO6. Systematic photoelectrochemical characterizations disclose that the substantially elevated carrier density and charge separation efficiency take responsibility for the strengthened photocatalytic performance. Additionally, the possibility of single-unit-cell layer 3D Bi2WO6 as dye-sensitized solar cells (DSSC) has also been attempted and it was manifested to be a promising dye-sensitized photoanode for oxygen evolution reaction (ORR). Our work not only furnish an insight into designing single-layer assembled 3D hierarchical architecture, but also offer a multi-functional material for environmental and energy applications.

  7. Effects of physical boundary conditions on the transverse vibration of single-layer graphene sheets

    Science.gov (United States)

    Sadeghzadeh, S.; Khatibi, M. M.

    2016-09-01

    The effects of various approaches for a comprehensive application of boundary conditions on the molecular dynamics of graphene nanosheets were studied in this paper. Fixing more than two rows of carbon atoms was tested for satisfaction of clamped boundary condition in dynamics problems, and it was demonstrated that a completely different view should be taken for clamped boundary conditions. To do this, through the frequency domain decomposition approach, operational modal analysis has been developed to carry out the Laboratory of Nanometric Operational Modal Analysis on a molecular dynamics platform. The theory of the mentioned approach was introduced, and some comparisons were made with experimental works. The modeling results have shown that for graphene sheets with simply supported edges, fixing two or more rows leads to the same response as fixing one row. For clamped edges, the use of a flexible base as a substrate satisfies the boundary condition with the best possible. At the end, as an example, it has been demonstrated that the second and third natural vibration frequencies increase with the increase in aspect ratio, while the first frequency remains unchanged.

  8. Quantum Monte Carlo Studies of Bulk and Few- or Single-Layer Black Phosphorus

    Science.gov (United States)

    Shulenburger, Luke; Baczewski, Andrew; Zhu, Zhen; Guan, Jie; Tomanek, David

    2015-03-01

    The electronic and optical properties of phosphorus depend strongly on the structural properties of the material. Given the limited experimental information on the structure of phosphorene, it is natural to turn to electronic structure calculations to provide this information. Unfortunately, given phosphorus' propensity to form layered structures bound by van der Waals interactions, standard density functional theory methods provide results of uncertain accuracy. Recently, it has been demonstrated that Quantum Monte Carlo (QMC) methods achieve high accuracy when applied to solids in which van der Waals forces play a significant role. In this talk, we will present QMC results from our recent calculations on black phosphorus, focusing on the structural and energetic properties of monolayers, bilayers and bulk structures. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE's National Nuclear Security Administration under Contract DE-AC04-94AL85000.

  9. 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.

  10. Exploring the boundary-layer cloud-climate feedback through Single-Column Model in Radiative-Advective Equilibrium

    Science.gov (United States)

    Dal Gesso, Sara; Neggers, Roel

    2017-04-01

    Boundary-layer clouds remain the major contributor to the inter-model spread in future climate predictions. Although light has been shed on the low-level cloud feedback, much remains to be understood about the physical mechanisms at the basis of the response of these clouds to climate warming. In the present study, EC-EARTH Single Column Model (SCM) is used to explore the boundary-layer cloud-climate feedback by imposing a Radiative-Advective Equilibrium, namely a balance between the radiative cooling and the advection of warm air. 30-year simulations are performed with the SCM forced by high-frequency cfSites outputs of the CMIP5 simulations of the host General Circulation Model (GCM) for both the AMIP and AMIP4K experiments. As this study exclusively focuses on marine low-level cloud regimes, the simulations are performed at the Barbados Cloud Observatory in the so-called "dry period", when the large-scale forcing are representative of subtropical marine trade-wind conditions. A first step is to assess how representative long-term SCM simulations are of their host GCM. Subsequently, the SCM is forced by different GCMs within the same framework. In this way, the contribution of the physical parameterization to the boundary-layer cloud feedback is isolated from the dynamics, and systematically evaluated. Finally, a procedure to integrate Large-Eddy Simulations and observations into this framework is discussed.

  11. 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-layer

  12. Deep reactive ion etching of fused silica using a single-coated soft mask layer for bio-analytical applications

    International Nuclear Information System (INIS)

    Ray, Tathagata; Zhu, Haixin; Meldrum, Deirdre R

    2010-01-01

    In this note, we present our results from process development and characterization of reactive ion etching (RIE) of fused silica using a single-coated soft masking layer (KMPR® 1025, Microchem Corporation, Newton, MA). The effects of a number of fluorine-radical-based gaseous chemistries, the gas flow rate, RF power and chamber pressure on the etch rate and etching selectivity of fused silica were studied using factorial experimental designs. RF power and pressure were found to be the most important factors in determining the etch rate. The highest fused silica etch rate obtained was about 933 Å min −1 by using SF 6 -based gas chemistry, and the highest etching selectivity between the fused silica and KMPR® 1025 was up to 1.2 using a combination of CF 4 , CHF 3 and Ar. Up to 30 µm deep microstructures have been successfully fabricated using the developed processes. The average area roughness (R a ) of the etched surface was measured and results showed it is comparable to the roughness obtained using a wet etching technique. Additionally, near-vertical sidewalls (with a taper angle up to 85°) have been obtained for the etched microstructures. The processes developed here can be applied to any application requiring fabrication of deep microstructures in fused silica with near-vertical sidewalls. To our knowledge, this is the first note on deep RIE of fused silica using a single-coated KMPR® 1025 masking layer and a non-ICP-based reactive ion etcher. (technical note)

  13. Whole field strain measurement in critical thin adhesive layer of single- and double-sided repaired CFRP panel using DIC

    Science.gov (United States)

    Kashfuddoja, Mohammad; Ramji, M.

    2015-03-01

    In the present work, the behavior of thin adhesively layer in patch repaired carbon fiber reinforced polymer (CFRP) panel under tensile load is investigated experimentally using digital image correlation (DIC) technique. The panel is made of Carbon/epoxy composite laminate and the stacking sequence in the panel is [0º]4. A circular hole of 10 mm diameter (d) is drilled at the center of the panel to mimic the case of low velocity impact damage removal. The panel with open hole is repaired with double sided (symmetrical) and single sided (unsymmetrical) rectangular patch made of same panel material having stacking sequence of [0º]3. Araldite 2011 is used for bonding the patch onto the panel over the damaged area. The global behavior of thin adhesive layer is examined by analyzing whole field strain distribution using DIC. Longitudinal, peel and shear strain field in both double and single sided repair configuration is studied and a compression is made between them. An estimate of shear transfer length which is an essential parameter in arriving at an appropriate overlap length in patch design is proposed from DIC and FEA. Damage development, failure mechanism and load displacement behavior is also investigated. The experimental results are compared with the numerical predictions.

  14. First-principles study of thermal expansion and thermomechanics of single-layer black and blue phosphorus

    International Nuclear Information System (INIS)

    Sun, Hongyi; Liu, Gang; Li, Qingfang; Wan, X.G.

    2016-01-01

    The linear thermal expansion coefficients (LTEC) and thermomechanics of single-layer black and blue phosphorus are systematically studied using first-principles based on quasiharmonic approximation. We find the thermal expansion of black phosphorus is very anisotropic. The LTEC along zigzag direction has a turning from negative to positive at around 138 K, while the LTEC along armchair direction is positive (except below 8 K) and about 2.5 times larger than that along zigzag direction at 300 K. For blue phosphorus, the LTEC is negative in the temperature range from 0 to 350 K. In addition, we find that the Young's modulus and Poisson's ratio of black phosphorus along zigzag direction are 4 to 5 times larger than those along armchair direction within considered temperature range, showing a remarkable anisotropic in-plane thermomechanics property. The mechanisms of these peculiar thermal properties are also explored. This work provides a theoretical understanding of the thermal expansion and thermomechanics of this single layer phosphorus family, which will be useful in nanodevices. - Highlights: • The thermal properties of black and blue phosphorus are studied. • Black phosphorus shows remarkable anisotropic thermal expansion and thermomechanics properties. • Blue phosphorus shows novel negative thermal expansion. • The thermal expansion properties are well analyzed by grüneisen theory.

  15. A development of simulation and analytical program for through-diffusion experiments for a single layer of diffusion media

    International Nuclear Information System (INIS)

    Sato, Haruo

    2001-01-01

    A program (TDROCK1. FOR) for simulation and analysis of through-diffusion experiments for a single layer of diffusion media was developed. This program was made by Pro-Fortran language, which was suitable for scientific and technical calculations, and relatively easy explicit difference method was adopted for an analysis. In the analysis, solute concentration in the tracer cell as a function of time that we could not treat to date can be input and the decrease in the solute concentration as a function of time by diffusion from the tracer cell to the measurement cell, the solute concentration distribution in the porewater of diffusion media and the solute concentration in the measurement cell as a function of time can be calculated. In addition, solution volume in both cells and diameter and thickness of the diffusion media are also variable as an input condition. This simulation program could well explain measured result by simulating solute concentration in the measurement cell as a function of time for case which apparent and effective diffusion coefficients were already known. Based on this, the availability and applicability of this program to actual analysis and simulation were confirmed. This report describes the theoretical treatment for the through-diffusion experiments for a single layer of diffusion media, analytical model, an example of source program and the manual. (author)

  16. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    Science.gov (United States)

    Jin, Z.; Xia, Z.-C.; Wei, M.; Yang, J.-H.; Chen, B.; Huang, S.; Shang, C.; Wu, H.; Zhang, X.-X.; Huang, J.-W.; Ouyang, Z.-W.

    2016-10-01

    The enhanced 2D layered structure single crystalline TlCo2Se2 has been successfully fabricated, which exhibits field-induced 3D spin-flop phase transitions. In the case of the magnetic field parallel to the c-axis (B//c), the applied magnetic field induces the evolution of the noncollinear helical magnetic coupling into a ferromagnetic (FM) state with all the magnetization of the Co ion parallel to the c-axis. A striking variation of the field-induced strain within the ab-plane is noticed in the magnetic field region of 20-30 T. In the case of the magnetic field perpendicular to the c-axis (B  ⊥  c), the inter-layer helical antiferromagnetic (AFM) coupling may transform to an initial canted AFM coupling, and then part of it transforms to an intermediate metamagnetic phase with the alignment of two-up-one-down Co magnetic moments and finally to an ultimate FM coupling in higher magnetic fields. The robust noncollinear AFM magnetic coupling is completely destroyed above 30 T. In combination with the measurements of magnetization, magnetoresistance and field-induced strain, a complete magnetic phase diagram of the TlCo2Se2 single crystal has been depicted, demonstrating complex magnetic structures even though the crystal geometry itself gives no indication of the magnetic frustration.

  17. Design of single-layer high-efficiency transmitting phase-gradient metasurface and high gain antenna

    Science.gov (United States)

    Zhang, Di; Yang, Xiaoqing; Su, Piqiang; Luo, Jiefang; Chen, Huijie; Yuan, Jianping; Li, Lixin

    2017-12-01

    In this paper, based on rotation phase-gradient principle, a single-layer, high-efficiency transmitting metasurface is designed and applied to high-gain antenna. In the case of circularly polarized incident wave, the PCR (polarization conversions ratio) of the metasurface element is greater than 90% in the band of 9.11–10.48 GHz. The transmitting wave emerges an anomalous refraction when left-handed circularly polarized wave are incident perpendicularly to the 1D phase-gradient metasurface, which is composed of cycle arrangement of 6 units with step value of 30°. The simulated anomalous refraction angle is 40.1°, coincided with the theoretical design value (40.6°). For further application, the 2D focused metasurface is designed to enhance the antenna performance while the left-handed circularly polarized antenna is placed at the focus. The simulated max gain is increased by 12 dB (182%) and the half-power beamwidth is reduced by 74.6°. The measured results are coincided with the simulations, which indicates the antenna has high directivity. The designed single-layer transmission metasurface has advantages of thin thickness (only 1.5 mm), high efficiency and light weight, and will have important application prospects in polarization conversion and beam control.

  18. Creation of giant two-dimensional crystal of zinc oxide nanodisk by method of single-particle layer of organo-modified inorganic fine particles.

    Science.gov (United States)

    Meng, Qi; Honda, Nanami; Uchida, Saki; Hashimoto, Kazuaki; Shibata, Hirobumi; Fujimori, Atsuhiro

    2015-09-01

    In this study, the formation and structure of a single-particle layer of organo-zinc oxide are investigated using surface-pressure-area (π-A) isotherms, out-of-plane X-ray diffraction (XRD) analysis, and atomic force microscopy (AFM). Further, techniques for achieving the solubilization of inorganic fine particles in general solvents have been proposed, and a single-particle layer has been formed using such an inorganic solution as a "spreading solution" for an interfacial film. Surface modification of ZnO is performed using a long-chain carboxylic acid. Accordingly, a regular arrangement of ZnO can be easily achieved in order to overcome the relatively weak van der Walls interactions between inorganic materials. A condensed Langmuir monolayer of these particles is also formed. A multiparticle layered structure is constructed by the Langmuir-Blodgett (LB) technique. Out-of-plane XRD measurement results for a single-particle layer of organo-ZnO clearly show a sharp peak at 42 Å. This peak is attributed to the distance between ZnO layers. The AFM image of this single-particle layer of organo-ZnO shows a particle assembly with a uniform height of 60 nm. These aggregated particles form large two-dimensional crystals. In other words, a regular periodic structure along the c-axis and a condensed single-particle layer had been fabricated using Langmuir and LB techniques. Copyright © 2015 Elsevier Inc. All rights reserved.

  19. Aqueous Chemical Solution Deposition of Novel, Thick and Dense Lattice-Matched Single Buffer Layers Suitable for YBCO Coated Conductors: Preparation and Characterization

    Directory of Open Access Journals (Sweden)

    Isabel van Driessche

    2012-09-01

    Full Text Available In this work we present the preparation and characterization of cerium doped lanthanum zirconate (LCZO films and non-stoichiometric lanthanum zirconate (LZO buffer layers on metallic Ni-5% W substrates using chemical solution deposition (CSD, starting from aqueous precursor solutions. La2Zr2O7 films doped with varying percentages of Ce at constant La concentration (La0.5CexZr1−xOy were prepared as well as non-stoichiometric La0.5+xZr0.5−xOy buffer layers with different percentages of La and Zr ratios. The variation in the composition of these thin films enables the creation of novel buffer layers with tailored lattice parameters. This leads to different lattice mismatches with the YBa2Cu3O7−x (YBCO superconducting layer on top and with the buffer layers or substrate underneath. This possibility of minimized lattice mismatch should allow the use of one single buffer layer instead of the current complicated buffer architectures such as Ni-(5% W/LZO/LZO/CeO2. Here, single, crack-free LCZO and non-stoichiometric LZO layers with thicknesses of up to 140 nm could be obtained in one single CSD step. The crystallinity and microstructure of these layers were studied by XRD, and SEM and the effective buffer layer action was studied using XPS depth profiling.

  20. Polyamide/layered silicate nanocomposites: A correlation between fracture toughness and molecular mobility

    Czech Academy of Sciences Publication Activity Database

    Kotek, Jiří; Kelnar, Ivan; Brus, Jiří; Urbanová, Martina

    -, č. 138 (2009), s. 1-11 ISSN 1618-7229 R&D Projects: GA AV ČR IAA400500602; GA AV ČR KJB200500601 Institutional research plan: CEZ:AV0Z40500505 Keywords : nanocomposite * toughness * molecular mobility Subject RIV: CD - Macromolecular Chemistry Impact factor: 0.644, year: 2009

  1. Molecular Gastronomy Meets 3D Printing: Layered Construction via Reverse Spherification

    DEFF Research Database (Denmark)

    D'Angelo, Greta; Hansen, Hans Nørgaard; Hart, A. John

    2016-01-01

    with the reverse spherification technique that is widely used in molecular gastronomy. First, by manual extrusion, we identify suitable recipes and ingredient concentrations to form freestanding features in a liquid bath. Subsequently, a desktop extrusion is adapted for the deposition of a calcium solution...

  2. Binary molecular layers of C-60 and copper phthalocyanine on Au(111) : Self-organized nanostructuring

    NARCIS (Netherlands)

    Stöhr, Meike; Wagner, Thorsten; Gabriel, Markus; Weyers, Bastian; Möller, Rolf

    The binary molecular system of C-60 and copper phthalocyanine(CuPc) molecules has been investigated by scanning tunneling microscopy (STM) at room temperature and at 50 K. As substrate Au(111) was chosen. When C-60 and CuPc molecules are sequentially deposited, it is found that well-ordered domains

  3. How many molecular layers of polar solvent molecules control chemistry? The concept of compensating dipoles.

    Science.gov (United States)

    Langhals, Heinz; Braun, Patricia; Dietl, Christian; Mayer, Peter

    2013-09-27

    The extension of the solvent influence of the shell into the volume of a polar medium was examined by means of anti-collinear dipoles on the basis of the E(T)(30) solvent polarity scale (i.e., the molar energy of excitation of a pyridinium-N-phenolatebetaine dye; generally: E(T) =28,591 nm kcal mol(-1)/λmax) where no compensation effects were found. As a consequence, solvent polarity effects are concentrated to a very thin layer of a few thousand picometres around the solute where extensions into the bulk solvent become unimportant. A parallelism to the thin surface layer of water to the gas phase is discussed. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. The importance of proper crystal-chemical and geometrical reasoning demonstrated using layered single and double hydroxides

    International Nuclear Information System (INIS)

    Richardson, Ian G.

    2013-01-01

    The importance and utility of proper crystal-chemical and geometrical reasoning in structural studies is demonstrated through the consideration of layered single and double hydroxides. New yet fundamental information is provided and it is evident that the crystal chemistry of the double hydroxide phases is much more straightforward than is apparent from the literature. Atomistic modelling techniques and Rietveld refinement of X-ray powder diffraction data are widely used but often result in crystal structures that are not realistic, presumably because the authors neglect to check the crystal-chemical plausibility of their structure. The purpose of this paper is to reinforce the importance and utility of proper crystal-chemical and geometrical reasoning in structural studies. It is achieved by using such reasoning to generate new yet fundamental information about layered double hydroxides (LDH), a large, much-studied family of compounds. LDH phases are derived from layered single hydroxides by the substitution of a fraction (x) of the divalent cations by trivalent. Equations are derived that enable calculation of x from the a parameter of the unit cell and vice versa, which can be expected to be of widespread utility as a sanity test for extant and future structure determinations and computer simulation studies. The phase at x = 0 is shown to be an α form of divalent metal hydroxide rather than the β polymorph. Crystal-chemically sensible model structures are provided for β-Zn(OH) 2 and Ni- and Mg-based carbonate LDH phases that have any trivalent cation and any value of x, including x = 0 [i.e. for α-M(OH) 2 ·mH 2 O phases

  5. Drift correction for single-molecule imaging by molecular constraint field, a distance minimum metric

    International Nuclear Information System (INIS)

    Han, Renmin; Wang, Liansan; Xu, Fan; Zhang, Yongdeng; Zhang, Mingshu; Liu, Zhiyong; Ren, Fei; Zhang, Fa

    2015-01-01

    The recent developments of far-field optical microscopy (single molecule imaging techniques) have overcome the diffraction barrier of light and improve image resolution by a factor of ten compared with conventional light microscopy. These techniques utilize the stochastic switching of probe molecules to overcome the diffraction limit and determine the precise localizations of molecules, which often requires a long image acquisition time. However, long acquisition times increase the risk of sample drift. In the case of high resolution microscopy, sample drift would decrease the image resolution. In this paper, we propose a novel metric based on the distance between molecules to solve the drift correction. The proposed metric directly uses the position information of molecules to estimate the frame drift. We also designed an algorithm to implement the metric for the general application of drift correction. There are two advantages of our method: First, because our method does not require space binning of positions of molecules but directly operates on the positions, it is more natural for single molecule imaging techniques. Second, our method can estimate drift with a small number of positions in each temporal bin, which may extend its potential application. The effectiveness of our method has been demonstrated by both simulated data and experiments on single molecular images

  6. White light emission from an exciplex interface with a single emitting layer (Conference Presentation)

    Science.gov (United States)

    Bernal, Wilson; Perez-Gutierrez, Enrique; Agular, Andres; Barbosa G, J. Oracio C.; Maldonado, Jose L.; Meneses-Nava, Marco Antonio; Rodriguez Rivera, Mario A.; Rodriguez, Braulio

    2017-02-01

    Efficient solid state lighting devices based in inorganic emissive materials are now available in the market meanwhile for organic emissive materials still a lot of research work is in its way. [1,2] In this work a new organic emissive material based on carbazole, N-(4-Ethynylphenyl) carba-zole-d4 (6-d4), is used as electron-acceptor and commercial PEDOT:PSS as the electron-donor to obtain white emission. Besides the HOMO-LUMO levels of materials the white emission showed dependence on the films thicknesses and applied voltages. In here it is reported that by diminishing the thickness of the PEDOT:PSS layer, from 60 to 35 nm, and by keeping the derivative carbazole layer constant at 100 nm the electro-luminescence (EL) changed from emissive exciton states to the mixture of emissive exciton and exciplex states. [3] For the former thicknesses no white light was obtained meanwhile for the later the EL spectra broadened due to the emission of exciplex states. Under this condition, the best-achieved CIE coordinate was (0.31,0.33) with a driving voltage of 8 V. To lower the driving voltage of the devices a thin film of LiF was added between the derivative of carbazol and cathode but the CIE coordinates changed. The best CIE coordinates for this case were (0.29, 0.34) and (0.32, 0.37) with driving voltage of about 6.5 V. Acknowledgments: CeMie-Sol/27 (Mexico) 207450 References [1] Timothy L Dawson, Society of Dyers and Colourists, Color. Technol., 126, 1-10 (2010), doi: 10.1111/j.1478-4408.2010.00220.x [2] G. M. Farinola, R. Ragni, Journal of Solid State Lighting, 2:9 (2015), doi: 10.1186/s40539-015-0028-7. [3] E. Angioni, et al, J. Mater. Chem. C, 2016, 4, 3851, doi: 10.1039/c6tc00750c.

  7. Reverse engineering of an affinity-switchable molecular interaction characterized by atomic force microscopy single-molecule force spectroscopy.

    Science.gov (United States)

    Anselmetti, Dario; Bartels, Frank Wilco; Becker, Anke; Decker, Björn; Eckel, Rainer; McIntosh, Matthew; Mattay, Jochen; Plattner, Patrik; Ros, Robert; Schäfer, Christian; Sewald, Norbert

    2008-02-19

    Tunable and switchable interaction between molecules is a key for regulation and control of cellular processes. The translation of the underlying physicochemical principles to synthetic and switchable functional entities and molecules that can mimic the corresponding molecular functions is called reverse molecular engineering. We quantitatively investigated autoinducer-regulated DNA-protein interaction in bacterial gene regulation processes with single atomic force microscopy (AFM) molecule force spectroscopy in vitro, and developed an artificial bistable molecular host-guest system that can be controlled and regulated by external signals (UV light exposure and thermal energy). The intermolecular binding functionality (affinity) and its reproducible and reversible switching has been proven by AFM force spectroscopy at the single-molecule level. This affinity-tunable optomechanical switch will allow novel applications with respect to molecular manipulation, nanoscale rewritable molecular memories, and/or artificial ion channels, which will serve for the controlled transport and release of ions and neutral compounds in the future.

  8. Molecular Beam Epitaxial Growth and Characterization of Graphene and Hexagonal Boron Nitride Two-Dimensional Layers

    Science.gov (United States)

    Zheng, Renjing

    Van der Waals (vdW) materials (also called as two-dimensional (2D) material in some literature) systems have received extensive attention recently due to their potential applications in next-generation electronics platform. Exciting properties have been discovered in this field, however, the performance and properties of the systems rely on the materials' quality and interface significantly, leading to the urgent need for scalable synthesis of high-quality vdW crystals and heterostructures. Toward this direction, this dissertation is devoted on the study of Molecular Beam Epitaxy (MBE) growth and various characterization of vdW materials and heterostructures, especially graphene and hexagonal boron nitride (h-BN). The goal is to achieve high-quality vdW materials and related heterostructures. There are mainly four projects discussed in this dissertation. The first project (Chapter 2) is about MBE growth of large-area h-BN on copper foil. After the growth, the film was transferred onto SiO2 substrate for characterization. It is observed that as-grown film gives evident h-BN Raman spectrum; what's more, h-BN peak intensity and position is dependent on film thickness. N-1s and B-1s XPS peaks further suggest the formation of h-BN. AFM and SEM images show the film is flat and continuous over large area. Our synthesis method shows it's possible to use MBE to achieve h-BN growth and could also pave a way for some unique structure, such as h-BN/graphene heterostructures and doped h-BN films by MBE. The second project (Chapter 3) is focused on establishment of grapehene/h-BN heterostructure on cobalt (Co) film. In-situ epitaxial growth of graphene/h-BN heterostructures on Co film substrate was achieved by using plasma-assisted MBE. The direct graphene/h-BN vertical stacking structures were demonstrated and further confirmed by various characterizations, such as Raman spectroscopy, SEM, XPS and TEM. Large area heterostructures consisting of single- /bilayer graphene and

  9. Single layer solar drying behaviour of Citrus aurantium leaves under forced convection

    Energy Technology Data Exchange (ETDEWEB)

    Ait Mohamed, L.; Lahsasni, S. [Ecole Normale Superieure, Marrakech (Morocco). Laboratoire d' Energie Solaire et des Plantes Aromatiques et Medicinales; Unite de Chimie Agroalimentaire, Marrakech (Morocco). Faculte des Sciences Semlalia; Kouhila, M.; Jamali, A. [Ecole Normale Superieure, Marrakech (Morocco). Laboratoire d' Energie Solaire et des Plantes Aromatiques et Medicinales; Kechaou, N. [Ecole Nationale d' Ingenieurs de Sfax (Tunisia); Mahrouz, M. [Unite de Chimie Agroalimentaire, Marrakech (Morocco). Faculte des Sciences Semlalia

    2005-06-01

    Convective solar drying experiments in thin layers of Citrus aurantium leaves grown in Marrakech, morocco, were conducted. An indirect forced convection solar dryer consisting of a solar air collector, an auxiliary heater, a circulation fan and a drying cabinet is used for the experiments. The air temperature was varied from 50 to 60{sup o}C; the relative humidity from 41% to 53%; and the drying air flow rate from 0.0277 to 0.0833 m{sup 3}/s. Thirteen statistical models, which are semi-theoretical and/or empirical, were tested for fitting the experimental data. A nonlinear regression analysis using a statistical computer program was used to evaluate the constants of the models. The Midilli-Kucuk drying model was found to be the most suitable for describing the solar drying curves of Citrus aurantium leaves with a correlation coefficient (r) of 0.99998, chi-square ({chi}{sup 2}) of 4.664 x 10{sup -6} and MBE of 4.8381 x 10{sup -4}. (author)

  10. Classical molecular dynamics simulation on the dynamical properties of H2 on silicene layer

    Directory of Open Access Journals (Sweden)

    Casuyac Miqueas

    2016-01-01

    Full Text Available This study investigates the diffusion of hydrogen molecule physisorbed on the surface of silicene nanoribbon (SiNRusing the classical molecular dynamic (MD simulation in LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator. The interactions between silicon atoms are modeled using the modified Tersoff potential, the Adaptive Intermolecular Reactive Empirical Bond Order (AIREBO potential for hydrogen – hydrogen interaction and the Lennard – Jones potential for the physisorbed H2 on SiNR. By varying the temperatures (60 K Δ 130 K, we observed that the Δxdisplacement of H2 on the surface SiNR shows a Brownian motion on a Lennard-Jones potential and a Gaussian probability distribution can be plotted describing the diffusion of H2. The calculated mean square displacement (MSD was approximately increasing in time and the activation energy barrier for diffusion has been found to be 43.23meV.

  11. Evidence of molecular hydrogen trapped in two-dimensional layered titanium carbide-based MXene

    Science.gov (United States)

    Osti, Naresh C.; Naguib, Michael; Tyagi, Madhusudan; Gogotsi, Yury; Kolesnikov, Alexander I.; Mamontov, Eugene

    2017-07-01

    Two-dimensional transition metal carbides and nitrides (MXenes) are one of the largest and fastest growing families of materials. The presence of molecular hydrogen at ambient conditions in a MXene (T i3C2Tx , where Tx represents a surface terminating species, including O, OH, and F) material is revealed here by inelastic and elastic neutron scatterings. The inelastic neutron-scattering spectrum measured at 5 K shows a peak at 14.6 meV, presenting a clear indication of the presence of parahydrogen in the MXene synthesized using 48 % hydrofluoric acid and annealed at 110 ∘C in vacuum prior to the measurement. An increase in the measurement temperature gradually reduces the peak intensity and increases the peak width due to the mobility of the molecular hydrogen in confinement. The presence of molecular hydrogen is confirmed further from the observed elastic intensity drop in a fixed energy-window scan of elastic intensity measurements in the temperature range of 10-35 K. Using milder etching conditions, ion intercalation, or an increase in the annealing temperature all result in the absence of the trapped hydrogen molecules in MXene. The results of this paper can guide the development of MXene materials with desired properties and improve our understanding of the behavior of MXenes in applications ranging from supercapacitors to hydrogen evolution reaction catalysis and hydrogen storage.

  12. Atomic-Layer Deposition of Single-Crystalline BeO Epitaxially Grown on GaN Substrates.

    Science.gov (United States)

    Lee, Seung Min; Yum, Jung Hwan; Yoon, Seonno; Larsen, Eric S; Lee, Woo Chul; Kim, Seong Keun; Shervin, Shahab; Wang, Weijie; Ryou, Jae-Hyun; Bielawski, Christopher W; Oh, Jungwoo

    2017-12-06

    We have grown a single-crystal beryllium oxide (BeO) thin film on a gallium nitride (GaN) substrate by atomic-layer deposition (ALD) for the first time. BeO has a higher thermal conductivity, bandgap energy, and dielectric constant than SiO 2 . As an electrical insulator, diamond is the only material on earth whose thermal conductivity exceeds that of BeO. Despite these advantages, there is no chemical-vapor-deposition technique for BeO-thin-film deposition, and thus, it is not used in nanoscale-semiconductor-device processing. In this study, the BeO thin films grown on a GaN substrate with a single crystal showed excellent interface and thermal stability. Transmission electron microscopy showed clear diffraction patterns, and the Raman shifts associated with soft phonon modes verified the high thermal conductivity. The X-ray scan confirmed the out-of-plane single-crystal growth direction and the in-plane, 6-fold, symmetrical wurtzite structure. Single-crystalline BeO was grown on GaN despite the large lattice mismatch, which suggested a model that accommodated the strain of hexagonal-on-hexagonal epitaxy with 5/6 and 6/7 domain matching. BeO has a good dielectric constant and good thermal conductivity, bandgap energy, and single-crystal characteristics, so it is suitable for the gate dielectric of power semiconductor devices. The capacitance-voltage (C-V) results of BeO on a GaN-metal-oxide semiconductor exhibited low frequency dispersion, hysteresis, and interface-defect density.

  13. The rise of 3-d single-ion magnets in molecular magnetism: towards materials from molecules?

    Science.gov (United States)

    Frost, Jamie M; Harriman, Katie L M; Murugesu, Muralee

    2016-04-21

    Single-molecule magnets (SMMs) that contain one spin centre (so-called single-ion magnets) theoretically represent the smallest possible unit for spin-based electronic devices. The realisation of this and related technologies, depends on first being able to design systems with sufficiently large energy barriers to magnetisation reversal, U eff , and secondly, on being able to organise these molecules into addressable arrays. In recent years, significant progress has been made towards the former goal - principally as a result of efforts which have been directed towards studying complexes based on highly anisotropic lanthanide ions, such as Tb(iii) and Dy(iii). Since 2013 however, and the remarkable report by Long and co-workers of a linear Fe(i) system exhibiting U eff = 325 K, single-ion systems of transition metals have undergone something of a renaissance in the literature. Not only do they have important lessons to teach us about anisotropy and relaxation dynamics in the quest to enhance U eff , the ability to create strongly coupled spin systems potentially offers access to a whole of host of 1, 2 and 3-dimensional materials with interesting structural and physical properties. This perspective summarises recent progress in this rapidly expanding sub-genre of molecular magnetism from the viewpoint of the synthetic chemist, with a particular focus on the lessons that have so far been learned from single-ion magnets of the d-block, and, the future research directions which we feel are likely to emerge in the coming years.

  14. Single particle tracking-based reaction progress kinetic analysis reveals a series of molecular mechanisms of cetuximab-induced EGFR processes in a single living cell.

    Science.gov (United States)

    Kim, Do-Hyeon; Kim, Dong-Kyun; Zhou, Kai; Park, Soyeon; Kwon, Yonghoon; Jeong, Min Gyu; Lee, Nam Ki; Ryu, Sung Ho

    2017-07-01

    Cellular processes occur through the orchestration of multi-step molecular reactions. Reaction progress kinetic analysis (RPKA) can provide the mechanistic details to elucidate the multi-step molecular reactions. However, current tools have limited ability to simultaneously monitor dynamic variations in multiple complex states at the single molecule level to apply RPKA in living cells. In this research, a single particle tracking-based reaction progress kinetic analysis (sptRPKA) was developed to simultaneously determine the kinetics of multiple states of protein complexes in the membrane of a single living cell. The subpopulation ratios of different states were quantitatively (and statistically) reliably extracted from the diffusion coefficient distribution rapidly acquired by single particle tracking at constant and high density over a long period of time using super-resolution microscopy. Using sptRPKA, a series of molecular mechanisms of epidermal growth factor receptor (EGFR) cellular processing induced by cetuximab were investigated. By comprehensively measuring the rate constants and cooperativity of the molecular reactions involving four EGFR complex states, a previously unknown intermediate state was identified that represents the rate limiting step responsible for the selectivity of cetuximab-induced EGFR endocytosis to cancer cells.

  15. Spontaneously formed high-performance charge-transport layers of organic single-crystal semiconductors on precisely synthesized insulating polymers

    Science.gov (United States)

    Makita, Tatsuyuki; Sasaki, Masayuki; Annaka, Tatsuro; Sasaki, Mari; Matsui, Hiroyuki; Mitsui, Chikahiko; Kumagai, Shohei; Watanabe, Shun; Hayakawa, Teruaki; Okamoto, Toshihiro; Takeya, Jun

    2017-04-01

    Charge-transporting semiconductor layers with high carrier mobility and low trap-density, desired for high-performance organic transistors, are spontaneously formed as a result of thermodynamic phase separation from a blend of π-conjugated small molecules and precisely synthesized insulating polymers dissolved in an aromatic solvent. A crystal film grows continuously to the size of centimeters, with the critical conditions of temperature, concentrations, and atmosphere. It turns out that the molecular weight of the insulating polymers plays an essential role in stable film growth and interfacial homogeneity at the phase separation boundary. Fabricating the transistor devices directly at the semiconductor-insulator boundaries, we demonstrate that the mixture of 3,11-didecyldinaphtho[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene and poly(methyl methacrylate) with the optimized weight-average molecular weight shows excellent device performances. The spontaneous phase separation with a one-step fabrication process leads to a high mobility up to 10 cm2 V-1 s-1 and a low subthreshold swing of 0.25 V dec-1 even without any surface treatment such as self-assembled monolayer modifications on oxide gate insulators.

  16. Magnetic switching of a single molecular magnet due to spin-polarized current

    Science.gov (United States)

    Misiorny, Maciej; Barnaś, Józef

    2007-04-01

    Magnetic switching of a single molecular magnet (SMM) due to spin-polarized current flowing between ferromagnetic metallic leads (electrodes) is investigated theoretically. Magnetic moments of the leads are assumed to be collinear and parallel to the magnetic easy axis of the molecule. Electrons tunneling through the barrier between magnetic leads are coupled to the SMM via exchange interaction. The current flowing through the system, as well as the spin relaxation times of the SMM, are calculated from the Fermi golden rule. It is shown that spin of the SMM can be reversed by applying a certain voltage between the two magnetic electrodes. Moreover, the switching may be visible in the corresponding current-voltage characteristics.

  17. Failure of single electron descriptions of molecular orbital collision processes. [Electron promotion mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Elston, S.B.

    1978-01-01

    Inner-shell excitation occurring in low and moderate (keV range) energy collisions between light atomic and ionic systems is frequently describable in terms of molecular promotion mechanisms, which were extensively explored both theoretically and experimentally. The bulk of such studies have concentrated on processes understandable through the use of single- and independent-electron models. Nonetheless, it is possible to find cases of inner-shell excitation in relatively simple collision systems which involve nearly simultaneous multiple-electron transitions and transitions induced by inherently two-electron interactions. Evidence for these many- and nonindependent-electron phenomena in inner-shell excitation processes and the importance of considering such effects in the interpretation of collisionally induced excitation spectra is discussed. 13 references.

  18. Structural Differentiation between Layered Single (Ni) and Double Metal Hydroxides (Ni–Al LDHs) Using Wavelet Transformation

    Energy Technology Data Exchange (ETDEWEB)

    Siebecker, Matthew G. [University of Delaware, Delaware Environmental Institute; Sparks, Donald L. [University of Delaware, Delaware Environmental Institute

    2017-09-07

    Layered double hydroxides (LDHs) are anionic clays important in disciplines such as environmental chemistry, geochemistry, and materials science. Developments in signal processing of extended X-ray absorption fine structure (EXAFS) data, such as wavelet transformation (WT), have been used to identify transition metals and Al present in the hydroxide sheets of LDHs. The WT plots of LDHs should be distinct from those of isostructural single metal hydroxides. However, no direct comparison of these minerals appears in the literature using WT. This work systematically analyzes a suite of Ni-rich mineral standards, including Ni–Al LDHs, single metal Ni hydroxides, and Ni-rich silicates using WT. The results illustrate that the WT plots for α-Ni(OH)2 and Ni–Al LDHs are often indistinguishable from each other, with similar two-component plots for the different mineral types. This demonstrates that the WT of the first metal shell often cannot be used to differentiate an LDH from a single metal hydroxide. Interlayer anions adsorbed to the hydroxide sheet of α-Ni(OH)2 affect the EXAFS spectra and are not visible in the FT but are clearly resolved and discrete in the WT.

  19. A Highly Expressed High-Molecular-Weight S-Layer Complex of Pelosinus sp. Strain UFO1 Binds Uranium

    Energy Technology Data Exchange (ETDEWEB)

    Thorgersen, Michael P. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Lancaster, W. Andrew [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Rajeev, Lara [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Ge, Xiaoxuan [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Vaccaro, Brian J. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Poole, Farris L. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology; Arkin, Adam P. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Mukhopadhyay, Aindrila [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Biological Systems and Engineering Division; Adams, Michael W. W. [Univ. of Georgia, Athens, GA (United States). Dept. of Biochemistry and Molecular Biology

    2016-12-02

    Cell suspensions of Pelosinus sp. strain UFO1 were previously shown, using spectroscopic analysis, to sequester uranium as U(IV) complexed with carboxyl and phosphoryl group ligands on proteins. The goal of our present study was to characterize the proteins involved in uranium binding. Virtually all of the uranium in UFO1 cells was associated with a heterodimeric protein, which was termed the uranium-binding complex (UBC). The UBC was composed of two S-layer domain proteins encoded by UFO1_4202 and UFO1_4203. Samples of UBC purified from the membrane fraction contained 3.3 U atoms/heterodimer, but significant amounts of phosphate were not detected. The UBC had an estimated molecular mass by gel filtration chromatography of 15 MDa, and it was proposed to contain 150 heterodimers (UFO1_4203 and UFO1_4202) and about 500 uranium atoms. The UBC was also the dominant extracellular protein, but when purified from the growth medium, it contained only 0.3 U atoms/heterodimer. The two genes encoding the UBC were among the most highly expressed genes within the UFO1 genome, and their expressions were unchanged by the presence or absence of uranium. Therefore, the UBC appears to be constitutively expressed and is the first line of defense against uranium, including by secretion into the extracellular medium. Although S-layer proteins were previously shown to bind U(VI), here we showed that U(IV) binds to S-layer proteins, we identified the proteins involved, and we quantitated the amount of uranium bound. Widespread uranium contamination from industrial sources poses hazards to human health and to the environment. Here in this paper, we identified a highly abundant uranium-binding complex (UBC) from Pelosinus sp. strain UFO1. The complex makes up the primary protein component of the S-layer of strain UFO1 and binds 3.3 atoms of U(IV) per heterodimer. Finally, while other bacteria have been shown to bind U(VI) on their S-layer, we demonstrate here an example of U(IV) bound by

  20. Comparative molecular neuroanatomy of mammalian neocortex: what can gene expression tell us about areas and layers?

    Science.gov (United States)

    Watakabe, Akiya

    2009-04-01

    It is over 100 years since Brodmann proposed the homology of layer and area structure of the cerebral cortex across species. His proposal was based on the extensive comparative analyses of various mammalian brains. Although such homology is now well accepted, the recent data in our laboratory showed striking variations of gene expression patterns across areas and species. Are cortical layers and areas really homologous? If they are, to what extent and how are they similar or different? We are trying to answer these questions by identifying the homologous neuronal types common to various areas and species. Toward this goal, we started to classify the cortical pyramidal neurons by expression of particular sets of genes. By using fluorescent double in situ hybridization combined with retrograde tracers, we are characterizing the gene expression phenotypes and projection specificity of cortical excitatory neuron types. In this review, I discuss the recent findings in our laboratory in light of the past and present knowledge about cortical cell types, which provides insight to the homology (and lack thereof) of the mammalian neocortical organization.

  1. Integrating chemical imaging of cationic trace metal solutes and pH into a single hydrogel layer

    Energy Technology Data Exchange (ETDEWEB)

    Hoefer, Christoph [Department of Forest and Soil Sciences, Institute of Soil Research, University of Natural Resources and Life Sciences, Vienna, Konrad-Lorenz-Strasse 24, A-3430 Tulln (Austria); Santner, Jakob, E-mail: jakob.santner@boku.ac.at [Department of Forest and Soil Sciences, Institute of Soil Research, University of Natural Resources and Life Sciences, Vienna, Konrad-Lorenz-Strasse 24, A-3430 Tulln (Austria); Department of Crop Sciences, Division of Agronomy, University of Natural Resources and Life Sciences, Vienna, Konrad-Lorenz-Strasse 24, 3430 Tulln (Austria); Borisov, Sergey M. [Institute of Analytical Chemistry and Food Chemistry, Graz University of Technology, Stremayrgasse 9, A-8010, Graz (Austria); Wenzel, Walter W.; Puschenreiter, Markus [Department of Forest and Soil Sciences, Institute of Soil Research, University of Natural Resources and Life Sciences, Vienna, Konrad-Lorenz-Strasse 24, A-3430 Tulln (Austria)

    2017-01-15

    Gel-based, two-dimensional (2D) chemical imaging techniques are versatile methods for investigating biogeochemically active environments at high spatial resolution (sub-mm). State-of-the-art solute imaging techniques, such as diffusive gradients in thin films (DGT) and planar optodes (PO), employ passive solute sampling or sensing. Combining these methods will provide powerful tools for studying the biogeochemistry of biological niches in soils and sediments. In this study we aimed at developing a combined single-layer gel for direct pH imaging using PO and sampling of anionic and cationic solutes by DGT, with subsequent analysis of the bound solutes by laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS). We tested three ultra-thin (<100 μm) polyurethane-based gels, incorporating anion and cation binding materials and the fluorescent pH indicator DCIFODA (2′,7′-dichloro-5(6)-N-octadecyl-carboxamidofluorescein). Results showed that PO-based pH sensing using DCIFODA was impossible in the presence of the anion binding materials due to interferences with DCIFODA protonation. One gel, containing only a cation binding material and DCIFODA, was fully characterized and showed similar performance characteristics as comparable DGT-only gels (applicable pH range: pH 5–8, applicable ionic strength range: 1–20 mmol L{sup -1}, cation binding capacity ∼24 μg cm{sup −2}). The dynamic range for PO-based pH mapping was between pH 5.5 and 7.5 with t{sub 90} response time of ∼60 min. In a case study we demonstrated the gel's suitability for multi-analyte solute imaging and mapped pH gradients and concurrent metal solubility patterns in the rhizosphere of Salix smithiana. pH decreases in the rooted soil were co-localized with elevated solute fluxes of Al{sup 3+}, Co{sup 2+}, Cu{sup 2+}, Fe, Mn{sup 2+}, Ni{sup 2+} and Pb{sup 2+}, indicating pH-induced metal solubilisation. - Highlights: • Diffusive gradients in thin films (DGT) and planar

  2. Evaluation of cesarean scar after single- and double-layer hysterotomy closure: a prospective cross-sectional study.

    Science.gov (United States)

    Tekiner, Nur Betül; Çetin, Berna Aslan; Türkgeldi, Lale Susan; Yılmaz, Gökçe; Polat, İbrahim; Gedikbaşı, Ali

    2018-05-01

    We aimed to determine if there is a difference in the size of the cesarean scar defect using saline infusion sonography (SIS) performed on the postoperative third month in patients who underwent single- or double-layered unlocked closure of their uterine incision during their first cesarean delivery. This study was conducted as a prospective cross-sectional study between February 2015 and January 2016 in patients admitted to the labour ward of the Kanuni Sultan Suleyman Training and Research Hospital who subsequently underwent their first delivery by cesarean section. Patients with a previous history of cesarean delivery, preterm pregnancies less than 34 gestational weeks, patients lost to follow-up or those who had an IUD inserted after delivery were excluded from the study. Out of the 327 patients who underwent primary cesarean delivery, 280 were included into the study. Patients were divided into two groups according to the single- (n:126) or double-layered (n:156) closure of their uterine incision. The maternal age, height, weight, obstetric and gynecologic histories, medical histories, indications for their cesarean delivery, technique of uterine closure, birth weight of the baby, duration of the cesarean delivery, need for extra suturing and transfusion were recorded. A Saline infusion sonography (SIS) was performed 3 months postoperatively to determine the presence, depth and length of the cesarean scar. The residual myometrial thickness overlying the scar defect and the fundal myometrial thickness were recorded. No difference was detected between the groups with respect to patient characteristics, whether the operation was elective or emergent, the type of anesthesia used, need for extra suturing, incidence of bladder injuries or uterine atony, need for blood transfusions, duration of labour or cervical dilatation and effacement between the two groups. No statistically significant difference was detected between the two groups with respect to the length

  3. Kondo peak splitting and Kondo dip in single molecular magnet junctions

    Energy Technology Data Exchange (ETDEWEB)

    Niu, Pengbin, E-mail: 120233951@qq.com [Institute of Solid State Physics, Shanxi Datong University, Datong 037009 (China); Shi, Yunlong; Sun, Zhu [Institute of Solid State Physics, Shanxi Datong University, Datong 037009 (China); Nie, Yi-Hang [Institute of Theoretical Physics, Shanxi University, Taiyuan 030006 (China); Luo, Hong-Gang [Center for Interdisciplinary Studies & Key Laboratory for Magnetism and Magnetic Materials of the MoE, Lanzhou University, Lanzhou 730000 (China); Beijing Computational Science Research Center, Beijing 100084 (China)

    2016-01-15

    Many factors containing bias, spin–orbit coupling, magnetic fields applied, and so on can strongly influence the Kondo effect, and one of the consequences is Kondo peak splitting (KPS). It is natural that KPS should also appear when another spin degree of freedom is involved. In this work we study the KPS effects of single molecular magnets (SMM) coupled with two metallic leads in low-temperature regime. It is found that the Kondo transport properties are strongly influenced by the exchange coupling and anisotropy of the magnetic core. By employing Green's function method in Hubbard operator representation, we give an analytical expression for local retarded Green's function of SMM and discussed its low-temperature transport properties. We find that the anisotropy term behaves as a magnetic field and the splitting behavior of exchange coupling is quite similar to the spin–orbit coupling. These splitting behaviors are explained by introducing inter-level or intra-level transitions, which account for the seven-peak splitting structure. Moreover, we find a Kondo dip at Fermi level under proper parameters. These Kondo peak splitting behaviors in SMM deepen our understanding to Kondo physics and should be observed in the future experiments. - Highlights: • We study Kondo peak splitting in single molecular magnets. • We study Kondo effect by Hubbard operator Green's function method. • We find Kondo peak splitting structures and a Kondo dip at Fermi level. • The exchange coupling and magnetic anisotropy induce fine splitting structure. • The splitting structures are explained by inter-level or intra-level transitions.

  4. Molecular Etiology of Hereditary Single-Side Deafness: Its Association With Pigmentary Disorders and Waardenburg Syndrome.

    Science.gov (United States)

    Kim, Shin Hye; Kim, Ah Reum; Choi, Hyun Seok; Kim, Min Young; Chun, Eun Hi; Oh, Seung-Ha; Choi, Byung Yoon

    2015-10-01

    Unilateral sensorineural hearing loss (USNHL)/single-side deafness (SSD) is a frequently encountered disability in children. The etiology of a substantial portion of USNHL/SSD still remains unknown, and genetic causes have not been clearly elucidated. In this study, the authors evaluated the heritability of USNHL/SSD.The authors sequentially recruited 50 unrelated children with SSD. For an etiologic diagnosis, we performed a rigorous review on the phenotypes of family members of all children and conducted, if necessary, molecular genetic tests including targeted exome sequencing of 129 deafness genes.Among the 50 SSD children cohort, the authors identify 4 (8%) unrelated SSD probands from 4 families (SH136, SB173, SB177, and SB199) with another hearing impaired family members. Notably, all 4 probands in our cohort with a familial history of SSD also have pigmentary abnormalities such as brown freckles or premature gray hair within first degree relatives, which may indicate that genes whose products are involved with pigmentary disorder could be candidates for heritable SSD. Indeed, SH136 and SB199 turned out to segregate a mutation in MITF and PAX3, respectively, leading to a molecular diagnosis of Waardenburg syndrome (WS).We report, for the first time in the literature, a significant heritability of pediatric SSD. There is a strong association between the heritability of USNHL/SSD and the pigmentary abnormality, shedding a new light on the understanding of the molecular basis of heritable USNHL/SSD. In case of children with congenital SSD, it would be mandatory to rigorously screen pigmentary abnormalities. WS should also be included in the differential diagnosis of children with USNHL/SSD, especially in a familial form.

  5. Molecular Layer Deposition-Modified 5A Zeolite for Highly Efficient CO2 Capture.

    Science.gov (United States)

    Song, Zhuonan; Dong, Qiaobei; Xu, Weiwei L; Zhou, Fanglei; Liang, Xinhua; Yu, Miao

    2018-01-10

    Effective pore mouth size of 5A zeolite was engineered by depositing an ultrathin layer of microporous TiO 2 on its external surface and appropriate pore misalignment at the interface. As a result, a slightly bigger N 2 molecule (kinetic diameter: 0.364 nm) was effectively excluded, whereas CO 2 (kinetic diameter: 0.33 nm) adsorption was only influenced slightly. The prepared composite zeolite sorbents showed an ideal CO 2 /N 2 adsorption selectivity as high as ∼70, a 4-fold increase over uncoated zeolite sorbents, while maintaining a high CO 2 adsorption capacity (1.62 mmol/g at 0.5 bar and 25 °C) and a fast CO 2 adsorption rate.

  6. Phase manipulation of Goos–Hänchen shifts in a single-layer of graphene nanostructure under strong magnetic field

    Science.gov (United States)

    Solookinejad, Gh; Jabbari, M.; Panahi, M.; Ahmadi Sangachin, E.

    2017-11-01

    In this paper, we discuss the phase management of Goos–Hänchen (GH) shifts of a probe light through a cavity with a single-layer graphene nanostructure under a strong magnetic field. By using the quantum mechanical density matrix formalism we study the GH shifts of reflected and transmitted light beams. It is realized that negative or positive GH shifts can be achieved simultaneously by tuning some controllable parameters such as relative phase and the Rabi frequency of the applied fields. Moreover, the thickness effect of the cavity structure is considered as an effective parameter for adjusting the GH shifts of reflected and transmitted light beams. We find that by choosing suitable parameters, a maximum negative shift of 4.5 mm and positive shift of 5.4 mm are possible for GH shifts in reflected and transmitted light. Our proposed model may be useful for developing all-optical devices in the infrared region.

  7. Wet chemical synthesis and magnetic properties of single crystal Co nanochains with surface amorphous passivation Co layers

    Directory of Open Access Journals (Sweden)

    Zhou Shao-Min

    2011-01-01

    Full Text Available Abstract In this study, for the first time, high-yield chain-like one-dimensional (1D Co nanostructures without any impurity have been produced by means of a solution dispersion approach under permanent-magnet. Size, morphology, component, and structure of the as-made samples have been confirmed by several techniques, and nanochains (NCs with diameter of approximately 60 nm consisting of single-crystalline Co and amorphous Co-capped layer (about 3 nm have been materialized. The as-synthesized Co samples do not include any other adulterants. The high-quality NC growth mechanism is proposed to be driven by magnetostatic interaction because NC can be reorganized under a weak magnetic field. Room-temperature-enhanced coercivity of NCs was observed, which is considered to have potential applications in spin filtering, high density magnetic recording, and nanosensors. PACS: 61.46.Df; 75.50; 81.07.Vb; 81.07.

  8. Gate-tunable quantum dot in a high quality single layer MoS2 van der Waals heterostructure

    Science.gov (United States)

    Pisoni, Riccardo; Lei, Zijin; Back, Patrick; Eich, Marius; Overweg, Hiske; Lee, Yongjin; Watanabe, Kenji; Taniguchi, Takashi; Ihn, Thomas; Ensslin, Klaus

    2018-03-01

    We have fabricated an encapsulated monolayer MoS2 device with metallic ohmic contacts through a pre-patterned hexagonal boron nitride (hBN) layer. In the bulk, we observe an electron mobility as high as 3000 cm2/Vs at a density of 7 × 1012 cm-2 at a temperature of 1.7 K. Shubnikov-de Haas oscillations start at magnetic fields as low as 3.3 T. By realizing a single quantum dot gate structure on top of hBN, we are able to confine electrons in MoS2 and observe the Coulomb blockade effect. By tuning the middle gate voltage, we reach a double dot regime where we observe the standard honeycomb pattern in the charge stability diagram.

  9. p-wave triggered superconductivity in single-layer graphene on an electron-doped oxide superconductor.

    Science.gov (United States)

    Di Bernardo, A; Millo, O; Barbone, M; Alpern, H; Kalcheim, Y; Sassi, U; Ott, A K; De Fazio, D; Yoon, D; Amado, M; Ferrari, A C; Linder, J; Robinson, J W A

    2017-01-19

    Electron pairing in the vast majority of superconductors follows the Bardeen-Cooper-Schrieffer theory of superconductivity, which describes the condensation of electrons into pairs with antiparallel spins in a singlet state with an s-wave symmetry. Unconventional superconductivity was predicted in single-layer graphene (SLG), with the electrons pairing with a p-wave or chiral d-wave symmetry, depending on the position of the Fermi energy with respect to the Dirac point. By placing SLG on an electron-doped (non-chiral) d-wave superconductor and performing local scanning tunnelling microscopy and spectroscopy, here we show evidence for a p-wave triggered superconducting density of states in SLG. The realization of unconventional superconductivity in SLG offers an exciting new route for the development of p-wave superconductivity using two-dimensional materials with transition temperatures above 4.2 K.

  10. Improving Wind Predictions in the Marine Atmospheric Boundary Layer through Parameter Estimation in a Single-Column Model

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Jared A.; Hacker, Joshua P.; Delle Monache, Luca; Kosović, Branko; Clifton, Andrew; Vandenberghe, Francois; Rodrigo, Javier Sanz

    2016-12-14

    A current barrier to greater deployment of offshore wind turbines is the poor quality of numerical weather prediction model wind and turbulence forecasts over open ocean. The bulk of development for atmospheric boundary layer (ABL) parameterization schemes has focused on land, partly due to a scarcity of observations over ocean. The 100-m FINO1 tower in the North Sea is one of the few sources worldwide of atmospheric profile observations from the sea surface to turbine hub height. These observations are crucial to developing a better understanding and modeling of physical processes in the marine ABL. In this study, we use the WRF single column model (SCM), coupled with an ensemble Kalman filter from the Data Assimilation Research Testbed (DART), to create 100-member ensembles at the FINO1 location. The goal of this study is to determine the extent to which model parameter estimation can improve offshore wind forecasts.

  11. Phase transitions and optical properties of the semiconducting and metallic phases of single-layer MoS₂.

    Science.gov (United States)

    Fair, K M; Ford, M J

    2015-10-30

    We report density functional theory calculations for single layer MoS2 in its 2H, semiconducting and 1T metallic phases in order to understand the relative stability of these two phases and transition between them in the presence of adsorbed lithium atoms and under compressive strain. We have determined the diffusion barriers between the two phases and demonstrate how the presence of Li adatoms or strain can significantly reduce these barriers. We show that the 2H and 1T structures have the same energy under 15% biaxial, compressive strain. This is the same strain value posited by Lin et al (2014 Nat. Nanotechnology 9 391-396) for their intermediate α phase. Calculations of the 1T and 2H permittivity and electron energy loss spectrum are also performed and characterized.

  12. 1617 nm emission control of an Er:YAG laser by a corrugated single-layer resonant grating mirror.

    Science.gov (United States)

    Aubourg, Adrien; Rumpel, Martin; Didierjean, Julien; Aubry, Nicolas; Graf, Thomas; Balembois, François; Georges, Patrick; Ahmed, Marwan Abdou

    2014-02-01

    A resonant grating mirror (RGM) that combines a single layer planar waveguide and a subwavelength grating is used to simultaneously control the beam quality, the spectral bandwidth, and the polarization state of an Er:YAG laser. This simple device is compared to classical methods using several intracavity components: an etalon for wavelength selection, a thin film polarizer for polarization selection, and an aperture for spatial filtering. It is demonstrated that the RGM provides the same polarization purity, an enhanced spectral filtering, and a significant improvement of the beam quality. In CW operation, the Er:YAG laser with a RGM emits an output power of 1.4 W at 1617 nm with a M2 of 1.4.

  13. Nonlinear digital out-of-plane waveguide coupler based on nonlinear scattering of a single graphene layer

    Science.gov (United States)

    Asadi, Reza; Ouyang, Zhengbiao

    2018-03-01

    A new mechanism for out-of-plane coupling into a waveguide is presented and numerically studied based on nonlinear scattering of a single nano-scale Graphene layer inside the waveguide. In this mechanism, the refractive index nonlinearity of Graphene and nonhomogeneous light intensity distribution occurred due to the interference between the out-of-plane incident pump light and the waveguide mode provide a virtual grating inside the waveguide, coupling the out-of-plane pump light into the waveguide. It has been shown that the coupling efficiency has two distinct values with high contrast around a threshold pump intensity, providing suitable condition for digital optical applications. The structure operates at a resonance mode due to band edge effect, which enhances the nonlinearity and decreases the required threshold intensity.

  14. Highly balanced single-layer high-temperature superconductor SQUID gradiometer freely movable within the Earth's magnetic field

    International Nuclear Information System (INIS)

    Schultze, Volkmar; IJsselsteijn, Rob; May, Torsten; Meyer, Hans-Georg

    2003-01-01

    We developed a gradiometer system based on a single-layer high-temperature superconductor dc superconducting quantum interference device (SQUID), which can be freely moved within the Earth's magnetic field during measurement. The problem of circumferential shielding currents in the parallel gradiometer pick-up loop is solved by the use of an appropriately designed magnetometer SQUID integrated on the gradiometer chip. The magnetometer's feedback coil of the flux-locked loop is laid out as a small Helmholtz coil pair, thus keeping the homogeneous magnetic field constant for both the magnetometer and the gradiometer. Therefore, the balance of the directly coupled gradiometer SQUID is enhanced from 100 up to 3800. The noise limited magnetic field gradient resolution of 45 pT m -1 Hz -1/2 is preserved down to frequencies of several Hz even after strong motion in the Earth's magnetic field

  15. Single-molecule study of molecular mobility in the cytoplasm of Escherichia coli

    Science.gov (United States)

    Lill, Yoriko; Kaserer, Wallace A.; Newton, Salete M.; Lill, Markus; Klebba, Phillip E.; Ritchie, Ken

    2012-08-01

    The cytoplasm of bacterial cells is filled with individual molecules and molecular complexes that rely on diffusion to bring them together for interaction. The mobility of molecules in the cytoplasm has been characterized by several techniques mainly using fluorescent probes and ensemble methods. In order to probe the microenvrionment inside the cytoplasm as viewed by an individual molecule, we have studied single green fluorescent proteins (GFPs) diffusing in the cytoplasm of Escherichia coli cells at observation at rates ranging from 60 to 1000 Hz. Over long times the diffusion shows confinement due to the geometry of the cells themselves. A simulation in model cells using the actual distribution of cell sizes found in the experiments describes accurately the experimental results as well as reveals a short time diffusion coefficient that agrees well with that determined by ensemble methods. Higher short time diffusion coefficients can be obtained by filling the simulated cell with small spheres modeling cytoplasmic molecules and, depending on the density of particles included in the modeled cytoplasm, can approach the diffusion coefficient of GFPs found in water. Thus, single-molecule tracking combined with analysis using simple simulation of Brownian motion is able to reveal the main contributors to the GFP mobility in the cytoplasm of E. coli.

  16. High performance of low band gap polymer-based ambipolar transistor using single-layer graphene electrodes.

    Science.gov (United States)

    Choi, Jong Yong; Kang, Woonggi; Kang, Boseok; Cha, Wonsuk; Son, Seon Kyoung; Yoon, Youngwoon; Kim, Hyunjung; Kang, Youngjong; Ko, Min Jae; Son, Hae Jung; Cho, Kilwon; Cho, Jeong Ho; Kim, BongSoo

    2015-03-18

    Bottom-contact bottom-gate organic field-effect transistors (OFETs) are fabricated using a low band gap pDTTDPP-DT polymer as a channel material and single-layer graphene (SLG) or Au source/drain electrodes. The SLG-based ambipolar OFETs significantly outperform the Au-based ambipolar OFETs, and thermal annealing effectively improves the carrier mobilities of the pDTTDPP-DT films. The difference is attributed to the following facts: (i) the thermally annealed pDTTDPP-DT chains on the SLG assume more crystalline features with an edge-on orientation as compared to the polymer chains on the Au, (ii) the morphological features of the thermally annealed pDTTDPP-DT films on the SLG electrodes are closer to the features of those on the gate dielectric layer, and (iii) the SLG electrode provides a flatter, more hydrophobic surface that is favorable for the polymer crystallization than the Au. In addition, the preferred carrier transport in each electrode-based OFET is associated with the HOMO/LUMO alignment relative to the Fermi level of the employed electrode. All of these experimental results consistently explain why the carrier mobilities of the SLG-based OFET are more than 10 times higher than those of the Au-based OTFT. This work demonstrates the strong dependence of ambipolar carrier transport on the source/drain electrode and annealing temperature.

  17. Single-layer 2nd-order high-T{sub c} SQUID gradiometer for use in unshielded environments

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Soon-Gul; Park, Seung Moon; Kang, Chan Seok [Korea University, Chungnam (Korea, Republic of); Kim, In-Seon [Korea Research Institute of Standards and Science, Daejon (Korea, Republic of); Kim, Sang-Jae [Cheju National University, Cheju (Korea, Republic of)

    2006-05-15

    We have studied the fabrication of second-order SQUID gradiometers from single-layer high-T{sub c} film and the feasibility of using those gradiometers in magnetocardiography. The gradiometer contains three parallel-connected pickup loops that are directly coupled to a step-edge junction SQUID with the coupling polarity of the center loop opposite to those of the two side loops. For a well-balanced gradiometer with a balancing factor of 10{sup 3}, we achieved an unshielded gradient noise of 0.84 pT/cm{sup 2}/Hz{sup 1/2} at 1 Hz, which corresponds to an equivalent field noise of 280 fT/Hz{sup 1/2}. A gradiometer with a 5.8-mm baseline successfully recorded the magnetocardic signals of a human subject, demonstrating the feasibility of using the device in biomagnetism. We have also studied the use of submicron YBCO bridges as Josephson elements of long-baseline gradiometers. The bridges were fabricated from 3-{mu}m-wide, 300-nm-thick YBCO lines with a thin layer of Au on top by using a focused-ion-beam (FIB) patterning method. The temperature-dependent critical currents, I{sub c}(T), and the normal state resistances, R{sub N}(T), showed SIS-type behaviors, which are believed to be due to naturally formed grain boundaries.

  18. Dual functional porous anti-reflective coatings with a photocatalytic effect based on a single layer system

    Science.gov (United States)

    Jilavi, M. H.; Mousavi, S. H.; Müller, T. S.; de Oliveira, P. W.

    2018-05-01

    Anti-reflection and photocatalytic properties are desirable for improving the optical properties of electronic devices. We describe a method of fabrication a single-layer, anti-reflective (AR) thin film with an additional photocatalytic property. The layer is deposited on glass substrates by means of a low-cost dip-coating method using a SiO2-TiO2 solution. A comparative study was undertaken to investigate the effects of TiO2 concentrations on the photocatalytic properties of the film and to determine the optimal balance between transmittance and photocatalysis. The average transmittance increases from T = 90.51% to T = 95.46 ± 0.07% for the wavelengths between 380 and 1200 nm. The structural characterization indicated the formation of thin, porous SiO2-TiO2 films with a roughness of less than 7.5 nm. The quality of the samples was evaluated by a complete test program of the mechanical, chemical and accelerated weathering stability. This results open up new possibilities for cost-effective AR coatings for the glass and solar cell industries.

  19. Temperature characterization of a radiating gas layer using digital-single-lens-reflex-camera-based two-color ratio pyrometry.

    Science.gov (United States)

    Deep, Sneh; Krishna, Yedhu; Jagadeesh, Gopalan

    2017-10-20

    The two-color ratio pyrometry technique using a digital single-lens reflex camera has been used to measure the time-averaged and path-integrated temperature distribution in the radiating shock layer in a high-enthalpy flow. A 70 mm diameter cylindrical body with a 70 mm long spike was placed in a hypersonic shock tunnel, and the region behind the shock layer was investigated. The systematic error due to contributions from line emissions was corrected by monitoring the emission spectrum from this region using a spectrometer. The relative contributions due to line emissions on R, G, and B channels of the camera were 7.4%, 2.2%, and 0.4%, respectively. The temperature contours obtained clearly distinguished regions of highest temperature. The maximum absolute temperature obtained in the experiment was ∼2920  K±55  K, which was 20% lower than the stagnation temperature. This lower value is expected due to line-of-sight integration, time averaging, and losses in the flow. Strategies to overcome these limitations are also suggested in the paper.

  20. 1D layered velocity models and microseismic event locations: synthetic examples for a case with a single linear receiver array

    Science.gov (United States)

    Akram, Jubran; Eaton, David W.

    2017-10-01

    We discuss various aspects of 1D velocity-model building for application to microseismic data analysis. We generate simple synthetic example data using a widely used single linear array geometry. The synthetic data contain 30 sources with known locations for a reference model based on previous studies of the Barnett shale. We investigate several key factors that should be considered, including selection of the calibration technique, inclusion of a priori information such as lateral heterogeneity and parameter ranges, and choice of algorithm for travel time computations. For the source-receiver geometry considered here, hypocenter location errors (±6 m in X and ±12 m in Z) can result from differently calibrated models only and without including the errors in picked arrival times and polarization estimates. We find that the errors in hypocenter locations are reduced (±3 m in X and ±6 m in Z) when a model calibrated with multiple shots simultaneously is used. Using four different models (vertical fault, dipping layers, channels, and these effects combined), we demonstrate that systematic errors in hypocenter locations can result when a 1D layered model is used in lieu of a laterally heterogeneous subsurface. Finally, we show that event locations from a velocity model calibrated using direct-arrival times are more stable than from a model calibrated with first-arrival times.

  1. Single-layer 2nd-order high-Tc SQUID gradiometer for use in unshielded environments

    International Nuclear Information System (INIS)

    Lee, Soon-Gul; Park, Seung Moon; Kang, Chan Seok; Kim, In-Seon; Kim, Sang-Jae

    2006-01-01

    We have studied the fabrication of second-order SQUID gradiometers from single-layer high-T c film and the feasibility of using those gradiometers in magnetocardiography. The gradiometer contains three parallel-connected pickup loops that are directly coupled to a step-edge junction SQUID with the coupling polarity of the center loop opposite to those of the two side loops. For a well-balanced gradiometer with a balancing factor of 10 3 , we achieved an unshielded gradient noise of 0.84 pT/cm 2 /Hz 1/2 at 1 Hz, which corresponds to an equivalent field noise of 280 fT/Hz 1/2 . A gradiometer with a 5.8-mm baseline successfully recorded the magnetocardic signals of a human subject, demonstrating the feasibility of using the device in biomagnetism. We have also studied the use of submicron YBCO bridges as Josephson elements of long-baseline gradiometers. The bridges were fabricated from 3-μm-wide, 300-nm-thick YBCO lines with a thin layer of Au on top by using a focused-ion-beam (FIB) patterning method. The temperature-dependent critical currents, I c (T), and the normal state resistances, R N (T), showed SIS-type behaviors, which are believed to be due to naturally formed grain boundaries.

  2. Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

    Science.gov (United States)

    Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

    2018-03-01

    We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.

  3. Compromised Survival of Cerebellar Molecular Layer Interneurons Lacking GDNF Receptors GFRα1 or RET Impairs Normal Cerebellar Motor Learning

    Directory of Open Access Journals (Sweden)

    Maria Christina Sergaki

    2017-06-01

    Full Text Available The role of neurotrophic factors as endogenous survival proteins for brain neurons remains contentious. In the cerebellum, the signals controlling survival of molecular layer interneurons (MLIs are unknown, and direct evidence for the requirement of a full complement of MLIs for normal cerebellar function and motor learning has been lacking. Here, we show that Purkinje cells (PCs, the target of MLIs, express the neurotrophic factor GDNF during MLI development and survival of MLIs depends on GDNF receptors GFRα1 and RET. Conditional mutant mice lacking either receptor lose a quarter of their MLIs, resulting in compromised synaptic inhibition of PCs, increased PC firing frequency, and abnormal acquisition of eyeblink conditioning and vestibulo-ocular reflex performance, but not overall motor activity or coordination. These results identify an endogenous survival mechanism for MLIs and reveal the unexpected vulnerability and selective requirement of MLIs in the control of cerebellar-dependent motor learning.

  4. On the lipid head group hydration of floating surface monolayers bound to self-assembled molecular protein layers

    DEFF Research Database (Denmark)

    Lösche, M.; Erdelen, C.; Rump, E.

    1994-01-01

    The structure of monomolecular layers of the protein streptavidin, specifically bound to biotin-functionalized lipid monolayers at aqueous surfaces, has been characterized. Neutron and X-ray reflectivity measurements allowed an assessment of the organization of these self-assembled systems...... with molecular resolution. Emphasis here is placed on the hydration of the lipid head groups in the bound state. For three functionalized lipids with spacers of different lengths between the biotin and their chains it was observed that the head groups were dehydrated in monolayers of the pure lipids, which were...... kept at low surface pressure before protein adsorption. The introduction of dipole moments at the interface by the admixture of phospholipids or the application of lateral pressure on the lipid monolayer before protein adsorption were found to impose an extension of the spacer moieties. The biotin...

  5. Molecular Sensing Ability of Layered Inorganic/Luminous Organic Nano Hybrid Solid Materials

    Energy Technology Data Exchange (ETDEWEB)

    Sasai, Ryo, E-mail: rsasai@riko.shimane-u.ac.jp [1060 Nishi-Kawatsu-cho, Matue, 690-8504, Japan. Interdisciplinary Faculty of Science and Engineering, Shimane University (Japan)

    2011-10-29

    To apply titanate nanosheet/decyltrimethlammonium/rhodamine 3B (TNS/C10TMA/R3B) hybrid material with highly luminescent ability to high performance sensor or indicator, spectroscopic properties in the absence and presence of water and/or NH{sub 3} vapors were investigated. The TNS/C10TMA/R3B hybrid material exhibited tone change of photoadsorption and photoluminescence in the presence of water vapor. Moreover, this material exhibited remarkable quenching in the presence of NH{sub 3} vapor under humid condition. It was found that this quenching was caused by an intramolecular cyclization reaction of incorporated R3B. This photoluminescence intensity decreased with an increase in NH{sub 3} concentration. This fact is that the present hybrid material has a high potential for molecular sensor or indicator.

  6. Tuning the thickness of electrochemically grafted layers in large area molecular junctions

    Energy Technology Data Exchange (ETDEWEB)

    Fluteau, T.; Bessis, C.; Barraud, C., E-mail: clement.barraud@univ-paris-diderot.fr; Della Rocca, M. L.; Lafarge, P. [Université Paris Diderot, Sorbonne Paris Cité, MPQ, UMR 7162, CNRS, 75205 Paris Cedex 13 (France); Martin, P.; Lacroix, J.-C. [Université Paris Diderot, Sorbonne Paris Cité, ITODYS, UMR 7086, CNRS, 15 rue J.-A. de Baïf, 75205 Paris Cedex 13 (France)

    2014-09-21

    We have investigated the thickness, the surface roughness, and the transport properties of oligo(1-(2-bisthienyl)benzene) (BTB) thin films grafted on evaporated Au electrodes, thanks to a diazonium-based electro-reduction process. The thickness of the organic film is tuned by varying the number of electrochemical cycles during the growth process. Atomic force microscopy measurements reveal the evolution of the thickness in the range of 2–27 nm. Its variation displays a linear dependence with the number of cycles followed by a saturation attributed to the insulating behavior of the organic films. Both ultrathin (2 nm) and thin (12 and 27 nm) large area BTB-based junctions have then been fabricated using standard CMOS processes and finally electrically characterized. The electronic responses are fully consistent with a tunneling barrier in case of ultrathin BTB film whereas a pronounced rectifying behavior is reported for thicker molecular films.

  7. Perturbation of hydration layer in solvated proteins by external electric and electromagnetic fields: Insights from non-equilibrium molecular dynamics

    Science.gov (United States)

    Nandi, Prithwish K.; Futera, Zdenek; English, Niall J.

    2016-11-01

    Given the fundamental role of water in governing the biochemistry of enzymes, and in regulating their wider biological activity (e.g., by local water concentration surrounding biomolecules), the influence of extraneous electric and electromagnetic (e/m) fields thereon is of central relevance to biophysics and, more widely, biology. With the increase in levels of local and atmospheric microwave-frequency radiation present in modern life, as well as other electric-field exposure, the impact upon hydration-water layers surrounding proteins, and biomolecules generally, becomes a particularly pertinent issue. Here, we present a (non-equilibrium) molecular-dynamics-simulation study on a model protein (hen egg-white lysozyme) hydrated in water, in which we determine, inter alia, translational self-diffusivities for both hen egg-white lysozyme and its hydration layer together with relaxation dynamics of the hydrogen-bond network between the protein and its hydration-layer water molecules on a residue-per-residue basis. Crucially, we perform this analysis both above and below the dynamical-transition temperature (at ˜220 K), at 300 and 200 K, respectively, and we compare the effects of external static-electric and e/m fields with linear-response-régime (r.m.s.) intensities of 0.02 V/Å. It was found that the translational self-diffusivity of hen egg-white lysozyme and its hydration-water layer are increased substantially in static fields, primarily due to the induced electrophoretic motion, whilst the water-protein hydrogen-bond-network-rearrangement kinetics can also undergo rather striking accelerations, primarily due to the enhancement of a larger-amplitude local translational and rotational motion by charged and dipolar residues, which serves to promote hydrogen-bond breakage and re-formation kinetics. These external-field effects are particularly evident at 200 K, where they serve to induce the protein- and solvation-layer-response effects redolent of dynamical

  8. Narrow ridge waveguide high power single mode 1.3-μm InAs/InGaAs ten-layer quantum dot lasers

    Directory of Open Access Journals (Sweden)

    Cao Q

    2007-01-01

    Full Text Available AbstractTen-layer InAs/In0.15Ga0.85As quantum dot (QD laser structures have been grown using molecular beam epitaxy (MBE on GaAs (001 substrate. Using the pulsed anodic oxidation technique, narrow (2 μm ridge waveguide (RWG InAs QD lasers have been fabricated. Under continuous wave operation, the InAs QD laser (2 × 2,000 μm2 delivered total output power of up to 272.6 mW at 10 °C at 1.3 μm. Under pulsed operation, where the device heating is greatly minimized, the InAs QD laser (2 × 2,000 μm2 delivered extremely high output power (both facets of up to 1.22 W at 20 °C, at high external differential quantum efficiency of 96%. Far field pattern measurement of the 2-μm RWG InAs QD lasers showed single lateral mode operation.

  9. Combined single cell AFM manipulation and TIRFM for probing the molecular stability of multilayer fibrinogen matrices

    Energy Technology Data Exchange (ETDEWEB)

    Christenson, W. [Department of Physics, Arizona State University, Tempe, AZ 85287 (United States); Center for Biological Physics, Arizona State University, Tempe, AZ 85287 (United States); Yermolenko, I. [Department of Physics, Arizona State University, Tempe, AZ 85287 (United States); School of Life Sciences, Arizona State University, Tempe, AZ 85287 (United States); Plochberger, B. [Department of Physics, Arizona State University, Tempe, AZ 85287 (United States); Camacho-Alanis, F.; Ros, A. [Department of Chemistry and Biochemistry, Arizona State University, Tempe, AZ 85287 (United States); Ugarova, T.P. [School of Life Sciences, Arizona State University, Tempe, AZ 85287 (United States); Ros, R., E-mail: Robert.Ros@asu.edu [Department of Physics, Arizona State University, Tempe, AZ 85287 (United States); Center for Biological Physics, Arizona State University, Tempe, AZ 85287 (United States)

    2014-01-15

    Adsorption of fibrinogen on various surfaces produces a nanoscale multilayer matrix, which strongly reduces the adhesion of platelets and leukocytes with implications for hemostasis and blood compatibility of biomaterials. The nonadhesive properties of fibrinogen matrices are based on their extensibility, ensuing the inability to transduce strong mechanical forces via cellular integrins and resulting in weak intracellular signaling. In addition, reduced cell adhesion may arise from the weaker associations between fibrinogen molecules in the superficial layers of the matrix. Such reduced stability would allow integrins to pull fibrinogen molecules out of the matrix with comparable or smaller forces than required to break integrin–fibrinogen bonds. To examine this possibility, we developed a method based on the combination of total internal reflection fluorescence microscopy, single cell manipulation with an atomic force microscope and microcontact printing to study the transfer of fibrinogen molecules out of a matrix onto cells. We calculated the average fluorescence intensities per pixel for wild-type HEK 293 (HEK WT) and HEK 293 cells expressing leukocyte integrin Mac-1 (HEK Mac-1) before and after contact with multilayered matrices of fluorescently labeled fibrinogen. For contact times of 500 s, HEK Mac-1 cells show a median increase of 57% of the fluorescence intensity compared to 6% for HEK WT cells. The results suggest that the integrin Mac-1-fibrinogen interactions are stronger than the intermolecular fibrinogen interactions in the superficial layer of the matrix. The low mechanical stability of the multilayer fibrinogen surface may contribute to the reduced cell adhesive properties of fibrinogen-coated substrates. We anticipate that the described method can be applied to various cell types to examine their integrin-mediated adhesion to the extracellular matrices with a variable protein composition. - Highlights: • We present a method combining

  10. Effect of non-sperm cells removal with single-layer colloidal centrifugation on myeloperoxidase concentration in post-thaw equine semen.

    Science.gov (United States)

    Ponthier, Jérôme; Teague, Sheila R; Franck, Thierry Y; de la Rebière, Geoffroy; Serteyn, Didier D; Brinsko, Steven P; Love, Charles C; Blanchard, Terry L; Varner, Dickson D; Deleuze, Stéfan C

    2013-12-01

    Myeloperoxidase (MPO) is a pro-oxidant enzyme contained in and released by neutrophils during degranulation or after lysis. Post-thaw semen contains MPO and its concentration is associated with decreased sperm motility. Recently, MPO concentration in post-thaw semen was shown to be associated with the presence of non-sperm cells (NSC). The objective of this study was to evaluate the effect of a single-layer colloidal centrifugation before cryopreservation on NSC and MPO concentrations in equine semen. The experimental design consisted of freezing semen with or without previous centrifugation through two concentrations of single-layer colloid media. Non-sperm cells and MPO concentrations were assessed in pellet and upper layer at each step of the procedure and MPO was detected in cells by immunocytochemistry. Single-layer colloid centrifugation decreased NSC and MPO concentrations in post-thaw semen. The MPO concentration was correlated with concentration of NSC in the upper layer of the supernatant. In post-thaw semen, with or without previous single-layer colloid centrifugation, MPO concentration was correlated with concentration of NSC. Overall, neutrophils were rarely observed and NSC were mainly epithelial cells or cellular debris, as demonstrated by MPO immunocytochemistry. At all steps of the semen processing and cryopreservation, MPO immunostaining was clearly identified only on NSC. In conclusion, our study shows that NSC present in fresh semen release MPO during freezing. Copyright © 2013 Elsevier Inc. All rights reserved.

  11. Molecular beam epitaxial growth and characterization of GaSb layers on GaAs (0 0 1) substrates

    International Nuclear Information System (INIS)

    Li Yanbo; Zhang Yang; Zhang Yuwei; Wang Baoqiang; Zhu Zhanping; Zeng Yiping

    2012-01-01

    We report on the growth of GaSb layers on GaAs (0 0 1) substrates by molecular beam epitaxy (MBE). We investigate the influence of the GaAs substrate surface treatment, growth temperature, and V/III flux ratios on the crystal quality and the surface morphology of GaSb epilayers. Comparing to Ga-rich GaAs surface preparation, the Sb-rich GaAs surface preparation can promote the growth of higher-quality GaSb material. It is found that the crystal quality, electrical properties, and surface morphology of the GaSb epilayers are highly dependent on the growth temperature, and Sb/Ga flux ratios. Under the optimized growth conditions, we demonstrate the epitaxial growth of high quality GaSb layers on GaAs substrates. The p-type nature of the unintentionally doped GaSb is studied and from the growth conditions dependence of the hole concentrations of the GaSb, we deduce that the main native acceptor in the GaSb is the Ga antisite (Ga Sb ) defect.

  12. 7-Octenyltrichrolosilane/trimethyaluminum hybrid dielectrics fabricated by molecular-atomic layer deposition on ZnO thin film transistors

    Science.gov (United States)

    Huang, Jie; Lee, Mingun; Lucero, Antonio T.; Cheng, Lanxia; Ha, Min-Woo; Kim, Jiyoung

    2016-06-01

    We demonstrate the fabrication of 7-octenytrichlorosilane (7-OTS)/trimethylaluminum (TMA) organic-inorganic hybrid films using molecular-atomic layer deposition (MALD). The properties of 7-OTS/TMA hybrid films are extensively investigated using transmission electron microscopy (TEM), Fourier transform infrared spectroscopy (FTIR), atomic force microscopy (AFM), and electrical measurements. Our results suggest that uniform and smooth amorphous hybrid thin films with excellent insulating properties are obtained using the MALD process. Films have a relatively high dielectric constant of approximately 5.0 and low leakage current density. We fabricate zinc oxide (ZnO) based thin film transistors (TFTs) using 7-OTS/TMA hybrid material as a back gate dielectric with the top ZnO channel layer deposited in-situ via MALD. The ZnO TFTs exhibit a field effect mobility of approximately 0.43 cm2 V-1 s-1, a threshold voltage of approximately 1 V, and an on/off ratio of approximately 103 under low voltage operation (from -3 to 9 V). This work demonstrates an organic-inorganic hybrid gate dielectric material potentially useful in flexible electronics application.

  13. Structure of fault stackings of molecular layers X-M-X in CdI2 polytypic crystals

    International Nuclear Information System (INIS)

    Palosz, B.; Przedmojski, J.

    1984-01-01

    The arrangements of molecular layers I-Cd-I, which may be regarded as 'faulted' for CdI 2 polytypic crystals, are analyzed. Tentative classification of faults into those which are intermediate structure between the basic polytypes 2H and 4H and faults occurring between different blocks of pure structure 4 H is proposed. The connection between some growth parameters and the structure of faults in CdI 2 crystals grown from solutions is discussed. It is shown that the geometrical classification of stacking faults used for layered inorganic crystals is not appropriate for the description of the faults existing in polytypic crystals of MX 2 type. The effect of weak external electric and magnetic fields on the polytypic structure of CdI 2 is analyzed. The experiments performed for several hundred of polytypes of CdI 2 showed that the external fields may, in some conditions, affect the organization of the polytypic structure of crystals very strongly. In particular, it was found that the external fields may change the period of polytype cells and that the relative number of hexagonal and rhombohedral polytypes differ very strongly for crystals grown in the absence and in the presence of external electric and magnetic fields. (author)

  14. Development of n-ZnO/p-Si single heterojunction solar cell with and without interfacial layer

    Science.gov (United States)

    Hussain, Babar

    The conversion efficiency of conventional silicon (Si) photovoltaic cells has not been improved significantly during last two decades but their cost decreased dramatically during this time. However, the higher price-per-watt of solar cells is still the main bottleneck in their widespread use for power generation. Therefore, new materials need to be explored for the fabrication of solar cells potentially with lower cost and higher efficiency. The n-type zinc oxide (n-ZnO) and p-type Si (p-Si) based single heterojunction solar cell (SHJSC) is one of the several attempts to replace conventional Si single homojunction solar cell technology. There are three inadequacies in the literature related to n-ZnO/p-Si SHJSC: (1) a detailed theoretical analysis to evaluate potential of the solar cell structure, (2) inconsistencies in the reported value of open circuit voltage (VOC) of the solar cell, and (3) lower value of experimentally achieved VOC as compared to theoretical prediction based on band-bending between n-ZnO and p-Si. Furthermore, the scientific community lacks consensus on the optimum growth parameters of ZnO. In this dissertation, I present simulation and experimental results related to n-ZnO/p-Si SHJSC to fill the gaps mentioned above. Modeling and simulation of the solar cell structure are performed using PC1D and AFORS-HET software taking practical constraints into account to explore the potential of the structure. Also, unnoticed benefits of ZnO in solar cells such as an additional antireflection (AR) effect and low temperature deposition are highlighted. The growth parameters of ZnO using metal organic chemical vapor deposition and sputtering are optimized. The structural, optical, and electrical characterization of ZnO thin films grown on sapphire and Si substrates is performed. Several n-ZnO/p-Si SHJSC devices are fabricated to confirm the repeatability of the VOC. Moreover, the AR effect of ZnO while working as an n-type layer is experimentally verified

  15. A novel double-layer molecularly imprinted polymer film based surface plasmon resonance for determination of testosterone in aqueous media

    International Nuclear Information System (INIS)

    Tan, Yuan; Jing, Lijing; Ding, Yonghong; Wei, Tianxin

    2015-01-01

    Highlights: • The in-situ photo-grafting polymerization method was used to prepare the polymer film. • The synthesized MIF was layer stucture film. • The MIF exhibited good imprinting effect and highly selectivity. - Abstract: This work aimed to prepare a novel double-layer structure molecularly imprinted polymer film (MIF) on the surface plasmon resonance (SPR) sensor chips for detection of testosterone in aqueous media. The film was synthesized by in-situ UV photo polymerization. Firstly, the modification of gold surface of SPR chip was performed by 1-dodecanethiol. Then double-layer MIF was generated on the 1-dodecanethiol modified gold surface. The non-modified and imprinted surfaces were characterized by atomic force microscopy (AFM), fourier transform infrared (FTIR) spectroscopy and contact angle measurements. Analysis of SPR spectroscopy showed that the imprinted sensing film displayed good selectivity for testosterone compared to other analogues and the non-imprinted polymer film (NIF). Within the concentrations range of 1 × 10 −12 –1 × 10 −8 mol/L, the coupling angle changes of SPR were linear with the negative logarithm of testosterone concentrations (R 2 = 0.993). Based on a signal/noise ratio of three, the detection limit was estimated to be 10 −12 mol/L. Finally, the developed MIF was successfully applied to the seawater detection of testosterone. The results in the experiments suggested that a combination of SPR sensing with MIF was a promising alternative method for detection of testosterone in aqueous media

  16. A novel double-layer molecularly imprinted polymer film based surface plasmon resonance for determination of testosterone in aqueous media

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Yuan; Jing, Lijing; Ding, Yonghong; Wei, Tianxin, E-mail: txwei@bit.edu.cn

    2015-07-01

    Highlights: • The in-situ photo-grafting polymerization method was used to prepare the polymer film. • The synthesized MIF was layer stucture film. • The MIF exhibited good imprinting effect and highly selectivity. - Abstract: This work aimed to prepare a novel double-layer structure molecularly imprinted polymer film (MIF) on the surface plasmon resonance (SPR) sensor chips for detection of testosterone in aqueous media. The film was synthesized by in-situ UV photo polymerization. Firstly, the modification of gold surface of SPR chip was performed by 1-dodecanethiol. Then double-layer MIF was generated on the 1-dodecanethiol modified gold surface. The non-modified and imprinted surfaces were characterized by atomic force microscopy (AFM), fourier transform infrared (FTIR) spectroscopy and contact angle measurements. Analysis of SPR spectroscopy showed that the imprinted sensing film displayed good selectivity for testosterone compared to other analogues and the non-imprinted polymer film (NIF). Within the concentrations range of 1 × 10{sup −12}–1 × 10{sup −8} mol/L, the coupling angle changes of SPR were linear with the negative logarithm of testosterone concentrations (R{sup 2} = 0.993). Based on a signal/noise ratio of three, the detection limit was estimated to be 10{sup −12} mol/L. Finally, the developed MIF was successfully applied to the seawater detection of testosterone. The results in the experiments suggested that a combination of SPR sensing with MIF was a promising alternative method for detection of testosterone in aqueous media.

  17. Single-Atom Au/NiFe Layered Double Hydroxide Electrocatalyst: Probing the Origin of Activity for Oxygen Evolution Reaction.

    Science.gov (United States)

    Zhang, Jingfang; Liu, Jieyu; Xi, Lifei; Yu, Yifu; Chen, Ning; Sun, Shuhui; Wang, Weichao; Lange, Kathrin M; Zhang, Bin

    2018-03-21

    A fundamental understanding of the origin of oxygen evolution reaction (OER) activity of transition-metal-based electrocatalysts, especially for single precious metal atoms supported on layered double hydroxides (LDHs), is highly required for the design of efficient electrocatalysts toward further energy conversion technologies. Here, we aim toward single-atom Au supported on NiFe LDH ( s Au/NiFe LDH) to clarify the activity origin of LDHs system and a 6-fold OER activity enhancement by 0.4 wt % s Au decoration. Combining with theoretical calculations, the active behavior of NiFe LDH results from the in situ generated NiFe oxyhydroxide from LDH during the OER process. With the presence of s Au, s Au/NiFe LDH possesses an overpotential of 0.21 V in contrast to the calculated result (0.18 V). We ascribe the excellent OER activity of s Au/NiFe LDH to the charge redistribution of active Fe as well as its surrounding atoms causing by the neighboring s Au on NiFe oxyhydroxide stabilized by interfacial CO 3 2- and H 2 O interfacing with LDH.

  18. Electrochemical characterization of single-walled carbon nanotubes for electrochemical double layer capacitors using non-aqueous electrolyte

    International Nuclear Information System (INIS)

    Ruch, P.W.; Koetz, R.; Wokaun, A.

    2009-01-01

    Single-walled carbon nanotubes (SWCNTs) were investigated by cyclic voltammetry and electrochemical impedance spectroscopy in a non-aqueous electrolyte, 1 M Et 4 NBF 4 in acetonitrile, suitable for supercapacitors. Further, in situ dilatometry and in situ conductance measurements were performed on single electrodes and the results compared to an activated carbon, YP17. Both materials show capacitive behavior characteristic of high surface area electrodes for supercapacitors, with the maximum full cell gravimetric capacitance being 34 F/g for YP17 and 20 F/g for SWCNTs at 2.5 V with respect to the total active electrode mass. The electronic resistance of SWCNTs and activated carbon decreases significantly during charging, showing similarities of the two materials during electrochemical doping. The SWCNT electrode expands irreversibly during the first electrochemical potential sweep as verified by in situ dilatometry, indicative of at least partial debundling of the SWCNTs. A reversible periodic swelling and shrinking during cycling is observed for both materials, with the magnitude of expansion depending on the type of ions forming the double layer.

  19. Room-temperature superparamagnetism due to giant magnetic anisotropy in Mo S defected single-layer MoS2

    Science.gov (United States)

    Khan, M. A.; Leuenberger, Michael N.

    2018-04-01

    Room-temperature superparamagnetism due to a large magnetic anisotropy energy (MAE) of a single atom magnet has always been a prerequisite for nanoscale magnetic devices. Realization of two dimensional (2D) materials such as single-layer (SL) MoS2, has provided new platforms for exploring magnetic effects, which is important for both fundamental research and for industrial applications. Here, we use density functional theory (DFT) to show that the antisite defect (Mo S ) in SL MoS2 is magnetic in nature with a magnetic moment μ of  ∼2 μB and, remarkably, exhibits an exceptionally large atomic scale MAE =\\varepsilon\\parallel-\\varepsilon\\perp of  ∼500 meV. Our calculations reveal that this giant anisotropy is the joint effect of strong crystal field and significant spin–orbit coupling (SOC). In addition, the magnetic moment μ can be tuned between 1 μB and 3 μB by varying the Fermi energy \\varepsilonF , which can be achieved either by changing the gate voltage or by chemical doping. We also show that MAE can be raised to  ∼1 eV with n-type doping of the MoS2:Mo S sample. Our systematic investigations deepen our understanding of spin-related phenomena in SL MoS2 and could provide a route to nanoscale spintronic devices.

  20. Multi-electrode double layer capacitor having single electrolyte seal and aluminum-impregnated carbon cloth electrodes

    Science.gov (United States)

    Farahmandi, C. Joseph; Dispennette, John M.; Blank, Edward; Kolb, Alan C.

    1999-01-19

    A single cell, multi-electrode high performance double layer capacitor includes first and second flat stacks of electrodes adapted to be housed in a closeable two-part capacitor case which includes only a single electrolyte seal. Each electrode stack has a plurality of electrodes connected in parallel, with the electrodes of one stack being interleaved with the electrodes of the other stack to form an interleaved stack, and with the electrodes of each stack being electrically connected to respective capacitor terminals. A porous separator sleeve is inserted over the electrodes of one stack before interleaving to prevent electrical shorts between the electrodes. The electrodes are made by folding a compressible, low resistance, aluminum-impregnated carbon cloth, made from activated carbon fibers, around a current collector foil, with a tab of the foils of each electrode of each stack being connected in parallel and connected to the respective capacitor terminal. The height of the interleaved stack is somewhat greater than the inside height of the closed capacitor case, thereby requiring compression of the interleaved electrode stack when placed inside of the case, and thereby maintaining the interleaved electrode stack under modest constant pressure. The closed capacitor case is filled with an electrolytic solution and sealed. A preferred electrolytic solution is made by dissolving an appropriate salt into acetonitrile (CH.sub.3 CN). In one embodiment, the two parts of the capacitor case are conductive and function as the capacitor terminals.