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Sample records for 2d electronic structure

  1. Calculation of 2D electronic band structure using matrix mechanics

    NASA Astrophysics Data System (ADS)

    Pavelich, R. L.; Marsiglio, F.

    2016-12-01

    We extend previous work, applying elementary matrix mechanics to one-dimensional periodic arrays (to generate energy bands), to two-dimensional arrays. We generate band structures for the square-lattice "2D Kronig-Penney model" (square wells), the "muffin-tin" potential (circular wells), and Gaussian wells. We then apply the method to periodic arrays of more than one atomic site in a unit cell, specifically to the case of materials with hexagonal lattices like graphene. These straightforward extensions of undergraduate-level calculations allow students to readily determine band structures of current research interest.

  2. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics.

    PubMed

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-31

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics.

  3. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics

    PubMed Central

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-01-01

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics. PMID:27796343

  4. Energy-filtered Electron Transport Structures for Low-power Low-noise 2-D Electronics

    NASA Astrophysics Data System (ADS)

    Pan, Xuan; Qiu, Wanzhi; Skafidas, Efstratios

    2016-10-01

    In addition to cryogenic techniques, energy filtering has the potential to achieve high-performance low-noise 2-D electronic systems. Assemblies based on graphene quantum dots (GQDs) have been demonstrated to exhibit interesting transport properties, including resonant tunnelling. In this paper, we investigate GQDs based structures with the goal of producing energy filters for next generation lower-power lower-noise 2-D electronic systems. We evaluate the electron transport properties of the proposed GQD device structures to demonstrate electron energy filtering and the ability to control the position and magnitude of the energy passband by appropriate device dimensioning. We also show that the signal-to-thermal noise ratio performance of the proposed nanoscale device can be modified according to device geometry. The tunability of two-dimensional GQD structures indicates a promising route for the design of electron energy filters to produce low-power and low-noise electronics.

  5. Electronic structure study on 2D hydrogenated Icosagens nitride nanosheets

    NASA Astrophysics Data System (ADS)

    Ramesh, S.; Marutheeswaran, S.; Ramaclus, Jerald V.; Paul, Dolon Chapa

    2014-12-01

    Metal nitride nanosheets has attracted remarkable importance in surface catalysis due to its characteristic ionic nature. In this paper, using density functional theory, we investigate geometric stability and electronic properties of hydrogenated Icosagen nitride nanosheets. Binding energy of the sheets reveals hydrogenation is providing more stability. Band structure of the hydrogenated sheets is found to be n-type semiconductor. Partial density of states shows metals (B, Al, Ga and In) and its hydrogens dominating in the Fermi region. Mulliken charge analysis indications that hydrogenated nanosheets are partially hydridic surface nature except boron nitride.

  6. Formation of Periodic Structures (2D-PhCs) by Scanning Electron Lithography

    NASA Astrophysics Data System (ADS)

    Utkin, Dmitriy; Shklyev, Alexander; Tsarev, Andrey; Latyshev, Alexander; Nasimov, Dmitriy

    The formation of the periodic structures based on Si-materials by electron beam lithography technique has been studied. We have investigated lithography processes such as designing, exposition, development, etching end others. The developed technique allows forming close-packed arrays of elements and holes in the nanometre range. This can be used to produce two-dimensional photonic crystals (2D PhCs) with emitting micro cavities (missing holes) with lateral size parameters within an accuracy of about 2% in the Si (100) substrate and in silicon-on-insulator structures. Such accuracy is expected to be sufficient for obtaining the cavities-coupling radiation interference from large areas of 2D PhCs.

  7. Investigating fold structures of 2D materials by quantitative transmission electron microscopy.

    PubMed

    Wang, Zhiwei; Zhang, Zengming; Liu, Wei; Wang, Zhong Lin

    2017-04-01

    We report an approach developed for deriving 3D structural information of 2D membrane folds based on the recently-established quantitative transmission electron microscopy (TEM) in combination with density functional theory (DFT) calculations. Systematic multislice simulations reveal that the membrane folding leads to sufficiently strong electron scattering which enables a precise determination of bending radius. The image contrast depends also on the folding angles of 2D materials due to the variation of projection potentials, which however exerts much smaller effect compared with the bending radii. DFT calculations show that folded edges are typically characteristic of (fractional) nanotubes with the same curvature retained after energy optimization. Owing to the exclusion of Stobbs factor issue, numerical simulations were directly used in comparison with the experimental measurements on an absolute contrast scale, which results in a successful determination of bending radius of folded monolayer MoS2 films. The method should be applicable to characterizing all 2D membranes with 3D folding features.

  8. Reflection high-energy electron diffraction measurements of reciprocal space structure of 2D materials.

    PubMed

    Xiang, Y; Guo, F-W; Lu, T-M; Wang, G-C

    2016-12-02

    Knowledge on the symmetry and perfection of a 2D material deposited or transferred to a surface is very important and valuable. We demonstrate a method to map the reciprocal space structure of 2D materials using reflection high energy diffraction (RHEED). RHEED from a 2D material gives rise to 'streaks' patterns. It is shown that from these streaks patterns at different azimuthal rotation angles that the reciprocal space intensity distribution can be constructed as a function of momentum transfer parallel to the surface. To illustrate the principle, we experimentally constructed the reciprocal space structure of a commercial graphene/SiO2/Si sample in which the graphene layer was transferred to the SiO2/Si substrate after it was deposited on a Cu foil by chemical vapor deposition. The result reveals a 12-fold symmetry of the graphene layer which is a result of two dominant orientation domains with 30° rotation relative to each other. We show that the graphene can serve as a template to grow other materials such as a SnS film that follows the symmetry of graphene.

  9. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    PubMed Central

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-01-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices. PMID:28281666

  10. Compelling experimental evidence of a Dirac cone in the electronic structure of a 2D Silicon layer

    NASA Astrophysics Data System (ADS)

    Sadeddine, Sana; Enriquez, Hanna; Bendounan, Azzedine; Kumar Das, Pranab; Vobornik, Ivana; Kara, Abdelkader; Mayne, Andrew J.; Sirotti, Fausto; Dujardin, Gérald; Oughaddou, Hamid

    2017-03-01

    The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been suggested based on boron, silicon, germanium, phosphorus, tin, and metal di-chalcogenides. Here, we present an experimental investigation of a single silicon layer on Au(111) using low energy electron diffraction (LEED), high resolution angle-resolved photoemission spectroscopy (HR-ARPES), and scanning tunneling microscopy (STM). The HR-ARPES data show compelling evidence that the silicon based 2D overlayer is responsible for the observed linear dispersed feature in the valence band, with a Fermi velocity of comparable to that of graphene. The STM images show extended and homogeneous domains, offering a viable route to the fabrication of silicene-based opto-electronic devices.

  11. A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations

    SciTech Connect

    Lin, Lin; Yang, Chao; Lu, Jiangfeng; Ying, Lexing; E, Weinan

    2009-09-25

    We present an efficient parallel algorithm and its implementation for computing the diagonal of $H^-1$ where $H$ is a 2D Kohn-Sham Hamiltonian discretized on a rectangular domain using a standard second order finite difference scheme. This type of calculation can be used to obtain an accurate approximation to the diagonal of a Fermi-Dirac function of $H$ through a recently developed pole-expansion technique \\cite{LinLuYingE2009}. The diagonal elements are needed in electronic structure calculations for quantum mechanical systems \\citeHohenbergKohn1964, KohnSham 1965,DreizlerGross1990. We show how elimination tree is used to organize the parallel computation and how synchronization overhead is reduced by passing data level by level along this tree using the technique of local buffers and relative indices. We analyze the performance of our implementation by examining its load balance and communication overhead. We show that our implementation exhibits an excellent weak scaling on a large-scale high performance distributed parallel machine. When compared with standard approach for evaluating the diagonal a Fermi-Dirac function of a Kohn-Sham Hamiltonian associated a 2D electron quantum dot, the new pole-expansion technique that uses our algorithm to compute the diagonal of $(H-z_i I)^-1$ for a small number of poles $z_i$ is much faster, especially when the quantum dot contains many electrons.

  12. Quantum coherence selective 2D Raman-2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-03-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  13. Quantum coherence selective 2D Raman-2D electronic spectroscopy.

    PubMed

    Spencer, Austin P; Hutson, William O; Harel, Elad

    2017-03-10

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational-vibrational, electronic-vibrational and electronic-electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment-protein complexes.

  14. Generation of a spatially coherent field structure in free-electron masers with 2D distributed feedback

    NASA Astrophysics Data System (ADS)

    Ginzburg, N. S.; Zaslavskii, V. Yu.; Malkin, A. M.; Sergeev, A. S.; Peskov, N. Yu.

    2014-02-01

    Nonlinear dynamics of free-electron masers (FEMs) is studied in the planar geometry with 2D distributed feedback (DFB). As is distinct from previous works, the field structure is not fixed with respect to the three spatial coordinates including the coordinate that is orthogonal to surfaces of the plates of the 2D Bragg resonator. Conditions on the allowed oversize parameter (ratio of the gap between the resonator plates to wavelength) under which the steady-state generation remains stable upon variation in electron-beam parameters are derived. It is demonstrated that, at a relatively large gap, variations in the mismatch lead to the jumps of oscillation frequency that correspond to the excitation of bunches of modes with different transverse indices of partial waves. The results of simulation using a particle-in-cell method are presented for a FEM prototype with 2D DFB that is created using an ELMI accelerator at the Institute of Nuclear Physics, Siberian Branch, Russian Academy of Sciences. The simulated results show that narrow-band spatially coherent radiation can be generated at experimental parameters of the electron beam and electrodynamic system. The advantages of 2D Bragg structures in comparison with conventional 1D structures are demonstrated for FEMs.

  15. Quantum coherence selective 2D Raman–2D electronic spectroscopy

    PubMed Central

    Spencer, Austin P.; Hutson, William O.; Harel, Elad

    2017-01-01

    Electronic and vibrational correlations report on the dynamics and structure of molecular species, yet revealing these correlations experimentally has proved extremely challenging. Here, we demonstrate a method that probes correlations between states within the vibrational and electronic manifold with quantum coherence selectivity. Specifically, we measure a fully coherent four-dimensional spectrum which simultaneously encodes vibrational–vibrational, electronic–vibrational and electronic–electronic interactions. By combining near-impulsive resonant and non-resonant excitation, the desired fifth-order signal of a complex organic molecule in solution is measured free of unwanted lower-order contamination. A critical feature of this method is electronic and vibrational frequency resolution, enabling isolation and assignment of individual quantum coherence pathways. The vibronic structure of the system is then revealed within an otherwise broad and featureless 2D electronic spectrum. This method is suited for studying elusive quantum effects in which electronic transitions strongly couple to phonons and vibrations, such as energy transfer in photosynthetic pigment–protein complexes. PMID:28281541

  16. Directed emission of CdSe nanoplatelets originating from strongly anisotropic 2D electronic structure.

    PubMed

    Scott, Riccardo; Heckmann, Jan; Prudnikau, Anatol V; Antanovich, Artsiom; Mikhailov, Aleksandr; Owschimikow, Nina; Artemyev, Mikhail; Climente, Juan I; Woggon, Ulrike; Grosse, Nicolai B; Achtstein, Alexander W

    2017-09-18

    Intrinsically directional light emitters are potentially important for applications in photonics including lasing and energy-efficient display technology. Here, we propose a new route to overcome intrinsic efficiency limitations in light-emitting devices by studying a CdSe nanoplatelets monolayer that exhibits strongly anisotropic, directed photoluminescence. Analysis of the two-dimensional k-space distribution reveals the underlying internal transition dipole distribution. The observed directed emission is related to the anisotropy of the electronic Bloch states governing the exciton transition dipole moment and forming a bright plane. The strongly directed emission perpendicular to the platelet is further enhanced by the optical local density of states and local fields. In contrast to the emission directionality, the off-resonant absorption into the energetically higher 2D-continuum of states is isotropic. These contrasting optical properties make the oriented CdSe nanoplatelets, or superstructures of parallel-oriented platelets, an interesting and potentially useful class of semiconductor-based emitters.

  17. Electronic and structural properties of 3D, 2D and 1D materials

    NASA Astrophysics Data System (ADS)

    Ribeiro, Filipe Joao

    In this work several applications of the ab initio pseudopotential density functional theory method are presented. With this method it is possible to calculate the electronic ground state properties of many systems like bulk solids, surfaces, nanotubes, and nanowires, and draw conclusions about the systems structural and electronic properties. With modifications of this approach excited states can also be treated. The first chapter of this thesis gives a brief description of the computational techniques employed. The second chapter describes results of calculations on the structural and electronic properties of carbon and germanium. We try to shed some light on a still poorly understood structural phase transition of graphite under pressure at low temperatures, which is different from the high temperature regime. Next, we study the phase transition path of germanium under pressure and predict the existence of a new phase. The following chapter explores the possibility of superconductivity in the graphite-like compound BC3 since there are many similarities between the electronic structure of this material and the 39 K superconductor MgB2. Subsequently, results of calculations on the adsorption of indium atoms on carbon nanotubes and graphite-like surfaces are presented. These studies explain some very interesting experimental results of In migration on nanotubes in an electrical potential. In the following chapters the electronic properties of very thin metallic MoSe nanowires are studied, and the different regimes of stability of metallic monatomic chains of Au, Al, Ag, Pd, Rh, and Ru are investigated and compared. Chapter 7 addresses the possible polymerization of C60 molecules inside carbon and boron nitride nanotubes. Finally, the propagation of a light signal in a medium with gains and losses is investigated, and the possibility of a discontinuity in the index of refraction is discussed.

  18. Structural and opto-electronic properties of 2D AlSb monolayer

    SciTech Connect

    Singh, Deobrat Sonvane, Yogesh; Gupta, Sanjeev K.

    2016-05-23

    We have investigated dielectric function related optical properties such as refractive index, absorption coefficient of two-dimensional hexagonal system of aluminum antimony (AlSb). We have also find structural and electronic properties of AlSb which show direct/indirect band gap with planar structure, employing the density functional theory using the generalized gradient approximation (GGA) given by Perdew-Burke-Ernzerhof (PBE) functional for exchange-correlation potential. The refractive index n(ω) increases with frequency in the near infrared region but in visible region n(ω) increasing after decrease.

  19. Solving structure in the CP29 light harvesting complex with polarization-phased 2D electronic spectroscopy

    PubMed Central

    Ginsberg, Naomi S.; Davis, Jeffrey A.; Ballottari, Matteo; Cheng, Yuan-Chung; Bassi, Roberto; Fleming, Graham R.

    2011-01-01

    The CP29 light harvesting complex from green plants is a pigment-protein complex believed to collect, conduct, and quench electronic excitation energy in photosynthesis. We have spectroscopically determined the relative angle between electronic transition dipole moments of its chlorophyll excitation energy transfer pairs in their local protein environments without relying on simulations or an X-ray crystal structure. To do so, we measure a basis set of polarized 2D electronic spectra and isolate their absorptive components on account of the tensor relation between the light polarization sequences used to obtain them. This broadly applicable advance further enhances the acuity of polarized 2D electronic spectroscopy and provides a general means to initiate or feed back on the structural modeling of electronically-coupled chromophores in condensed phase systems, tightening the inferred relations between the spatial and electronic landscapes of ultrafast energy flow. We also discuss the pigment composition of CP29 in the context of light harvesting, energy channeling, and photoprotection within photosystem II. PMID:21321222

  20. Far-Infrared Studies of 2D and 1D Electrons in Ultra High-Mobility Gated Semiconductor Structures

    NASA Astrophysics Data System (ADS)

    Heron, R. J.; Lewis, R. A.; Rickel, D. G.; Clark, R. G.; Starrett, R. P.; Kane, B. E.; Facer, G. R.; Lumpkin, N. E.; Dzurak, A. S.; Pfeiffer, L. N.; West, K. W.

    1998-03-01

    Far-infrared (FIR) photoconductivity experiments are reported for extremely high-mobility gated GaAs-AlGaAs 1D and 2D structures in which the electron density and confining potential are separately adjustable by surface gates. Unprecedented mean free paths in excess of 100 μm are observed in ballistic transport measurements in 2D, and conductance quantisation is observed in 5 μm long 1D quantum wires. The electron density is tunable over two orders of magnitude. This allows detailed studies of cyclotron resonance (CR) at differing Landau level filling factors, ν. The samples are undoped, carriers being introduced by a top-gate, so comparisons can be drawn with similar studies in modulation-doped structures, in particular CR measurements in the extreme quantum limit (ν<<1) where a splitting of the CR line has previously been used to probe correlated electron physics. The extension of this work to FIR studies of quantum wires at milli-Kelvin temperatures is expected to provide a spectroscopic probe of 2D-1D coupling and correlation effects in 1D (Luttinger liquid), where the absence of random disorder becomes increasingly important.

  1. Stability and electronic properties of SiGe-based 2D layered structures

    NASA Astrophysics Data System (ADS)

    Jamdagni, Pooja; Kumar, Ashok; Thakur, Anil; Pandey, Ravindra; Ahluwalia, P. K.

    2015-01-01

    The structural and electronic properties of the in-plane hybrids consisting of siligene (SiGe), and its derivatives in both mono and bilayer forms are investigated within density functional theory. Among several pristine and hydrogenated configurations, the so-called chair conformation is energetically favorable for monolayers. On the other hand, the bilayer siligane (HSiGeH) prefers AB-stacked chair conformation and bilayer siligone (HSiGe) prefers AA-stacked buckled conformation. In SiGe, the Dirac-cone character is predicted to be retained. HSiGe is a magnetic semiconductor with a band gap of ˜0.6 eV. The electronic properties show tunability under mechanical strain and transverse electric field; (i) the energy gap opens up in the SiGe bilayer, (ii) a direct-to-indirect gap transition is predicted by the applied strain in the HSiGeH bilayer, and (iii) a semiconductor-to-metal transition is predicted for HSiGe and HSiGeH bilayers under the application of strain and electric field, thus suggesting SiGe and its derivatives to be a potential candidate for electronic devices at nanoscale.

  2. Electronic structure of disordered CuPd alloys by positron-annihilation 2D-ACAR

    SciTech Connect

    Smedskjaer, L.C.; Benedek, R.; Siegel, R.W.; Legnini, D.G.; Stahulak, M.D.; Bansil, A.

    1988-01-01

    We report 2D-ACAR experiments and KKR CPA calculations on alpha-phase single-crystal Cu/sub 1-x/Pd/sub x/ in the range x less than or equal to 0.25. The flattening of the Fermi surface near (110) with increasing x predicted by theory is confirmed by our experimental results. 16 refs., 2 figs.

  3. The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures.

    PubMed

    Popov, Z I; Mikhaleva, N S; Visotin, M A; Kuzubov, A A; Entani, S; Naramoto, H; Sakai, S; Sorokin, P B; Avramov, P V

    2016-12-07

    The structural, magnetic and electronic properties of 2D VX2 (X = S, Se) monolayers and graphene/VX2 heterostructures were studied using a DFT+U approach. It was found that the stability of the 1T phases of VX2 monolayers is linked to strong electron correlation effects. The study of vertical junctions comprising of graphene and VX2 monolayers demonstrated that interlayer interactions lead to the formation of strong spin polarization of both graphene and VX2 fragments while preserving the linear dispersion of graphene-originated bands. It was found that the insertion of Mo atoms between the layers leads to n-doping of graphene with a selective transformation of graphene bands keeping the spin-down Dirac cone intact.

  4. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure.

    PubMed

    Gruznev, D V; Bondarenko, L V; Tupchaya, A Y; Eremeev, S V; Mihalyuk, A N; Chou, J P; Wei, C M; Zotov, A V; Saranin, A A

    2017-01-25

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), [Formula: see text]-(Tl, Pb) and [Formula: see text]-(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)[Formula: see text] system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] compound contains six Tl atoms and seven Pb atoms per [Formula: see text] unit cell (i.e.  ∼0.67 ML Tl and  ∼0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)[Formula: see text] and (Tl, Pb)/Ge(1 1 1)[Formula: see text] compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)[Formula: see text], these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  5. 2D Tl-Pb compounds on Ge(1 1 1) surface: atomic arrangement and electronic band structure

    NASA Astrophysics Data System (ADS)

    Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Eremeev, S. V.; Mihalyuk, A. N.; Chou, J. P.; Wei, C. M.; Zotov, A. V.; Saranin, A. A.

    2017-01-01

    Structural transformations and evolution of the electron band structure in the (Tl, Pb)/Ge(1 1 1) system have been studied using low-energy electron diffraction, scanning tunneling microscopy, angle-resolved photoelectron spectroscopy and density functional theory calculations. The two 2D Tl-Pb compounds on Ge(1 1 1), \\sqrt{3}× \\sqrt{3} -(Tl, Pb) and 3× 3 -(Tl, Pb), have been found and their composition, atomic arrangement and electron properties has been characterized. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} compound is almost identical to the alike (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} system from the viewpoint of its atomic structure and electronic properties. They contain 1.0 ML of Tl atoms arranged into a honeycomb network of chained trimers and 1/3 ML of Pb atoms occupying the centers of the honeycomb units. The (Tl, Pb)/Ge(1 1 1)3× 3 compound contains six Tl atoms and seven Pb atoms per 3× 3 unit cell (i.e.  ˜0.67 ML Tl and  ˜0.78 ML Pb). Its atomic structure can be visualized as consisting of Pb hexagons surrounded by Tl trimers. The (Tl, Pb)/Ge(1 1 1)\\sqrt{3}× \\sqrt{3} and (Tl, Pb)/Ge(1 1 1)3× 3 compounds are metallic and their band structures contain spin-split surface-state bands. By analogy with the (Tl, Pb)/Si(1 1 1)\\sqrt{3}× \\sqrt{3} , these (Tl, Pb)/Ge(1 1 1) compounds are believed to be promising objects for prospective studies of superconductivity in one-atom-layer systems.

  6. Structural, electronic transport and optical properties of functionalized quasi-2D TiC2 from first-principles calculations

    NASA Astrophysics Data System (ADS)

    Berdiyorov, G. R.; Madjet, M. E.

    2016-12-01

    Using the first-principles density functional theory, we study the effect of surface functionalization on the structural and optoelectronic properties of recently proposed quasi-two-dimensional material TiC2 [T. Zhao, S. Zhang, Y. Guo, Q. Wang, Nanoscale 8 (2016) 233]. Hydrogenated, fluorinated, oxidized and hydroxylated surfaces are considered. Significant changes in the lattice parameters and partial charge distributions are found due to the surface termination. Direct contribution of the adatoms to the system density of states near the Fermi level is obtained, which has a major impact on the optoelectronic properties of the material. For example, surface termination results in larger absorption in the visible range of the spectrum. The electronic transport is also affected by the surface functionalization: the current in the system can be reduced by an order of magnitude. These findings indicate the importance of the effects of surface passivation on optoelectronic properties of this quasi-2D material.

  7. Electronic structure of the interfacial LaAlO3/SrTiO3 2D electron gas

    NASA Astrophysics Data System (ADS)

    Triscone, Jean-Marc

    2012-02-01

    The interface between LaAlO3 and SrTiO3, two good band insulators, was found in 2004 to be conducting with a high mobility [1] and, in some doping range, superconducting with a maximum critical temperature of about 200 mK [2,3]. I will describe recent experiments aiming at determining the origin of the electron gas. I will then discuss the transport properties of high mobility samples that display Shubnikov de Haas (SdH) oscillations [4]. In such high mobility samples, electric field tuning of the carrier density allows the electronic structure to be followed through analysis of the evolution of the SdH oscillations. [4pt] [1] A. Ohtomo, H. Y. Hwang, Nature 427, 423 (2004).[0pt] [2] N. Reyren, S. Thiel, A. D. Caviglia, L. Fitting Kourkoutis, G. Hammerl, C. Richter, C. W. Schneider, T. Kopp, A.-S. Ruetschi, D. Jaccard, M. Gabay, D. A. Muller, J.-M. Triscone and J. Mannhart, Science 317, 1196 (2007).[0pt] [3] A. Caviglia, S. Gariglio, N. Reyren, D. Jaccard, T. Schneider, M. Gabay, S. Thiel, G. Hammerl, J. Mannhart, and J.-M. Triscone, Nature 456, 624 (2008).[0pt] [4] A.D. Caviglia, S. Gariglio, C. Cancellieri, B. Sac'ep'e, A. Fête, N. Reyren, M. Gabay, A.F. Morpurgo, J.-M. Triscone, Physical Review Letters 105, 236802 (2010).

  8. Gold-induced nanowires on the Ge(100) surface yield a 2D and not a 1D electronic structure

    NASA Astrophysics Data System (ADS)

    de Jong, N.; Heimbuch, R.; Eliëns, S.; Smit, S.; Frantzeskakis, E.; Caux, J.-S.; Zandvliet, H. J. W.; Golden, M. S.

    2016-06-01

    Atomic nanowires on semiconductor surfaces induced by the adsorption of metallic atoms have attracted a lot of attention as possible hosts of the elusive, one-dimensional Tomonaga-Luttinger liquid. The Au/Ge(100) system in particular is the subject of controversy as to whether the Au-induced nanowires do indeed host exotic, 1D (one-dimensional) metallic states. In light of this debate, we report here a thorough study of the electronic properties of high quality nanowires formed at the Au/Ge(100) surface. The high-resolution ARPES data show the low-lying Au-induced electronic states to possess a dispersion relation that depends on two orthogonal directions in k space. Comparison of the E (kx,ky) surface measured using high-resolution ARPES to tight-binding calculations yields hopping parameters in the two different directions that differ by approximately factor of two. Additionally, by pinpointing the Au-induced surface states in the first, second, and third surface Brillouin zones and analyzing their periodicity in k||, the nanowire propagation direction seen clearly in STM can be imported into the ARPES data. We find that the larger of the two hopping parameters corresponds, in fact, to the direction perpendicular to the nanowires (tperp). This proves that the Au-induced electron pockets possess a two-dimensional, closed Fermi surface, and this firmly places the Au/Ge(100) nanowire system outside potential hosts of a Tomonaga-Luttinger liquid. We combine these ARPES data with scanning tunneling spectroscopic measurements of the spatially resolved electronic structure and find that the spatially straight—wirelike—conduction channels observed up to energies of order one electron volt below the Fermi level do not originate from the Au-induced states seen in the ARPES data. The former are rather more likely to be associated with bulk Ge states that are localized to the subsurface region. Despite our proof of the 2D (two-dimentional) nature of the Au

  9. 2D microwave imaging reflectometer electronics

    SciTech Connect

    Spear, A. G.; Domier, C. W. Hu, X.; Muscatello, C. M.; Ren, X.; Luhmann, N. C.; Tobias, B. J.

    2014-11-15

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  10. 2D microwave imaging reflectometer electronics.

    PubMed

    Spear, A G; Domier, C W; Hu, X; Muscatello, C M; Ren, X; Tobias, B J; Luhmann, N C

    2014-11-01

    A 2D microwave imaging reflectometer system has been developed to visualize electron density fluctuations on the DIII-D tokamak. Simultaneously illuminated at four probe frequencies, large aperture optics image reflections from four density-dependent cutoff surfaces in the plasma over an extended region of the DIII-D plasma. Localized density fluctuations in the vicinity of the plasma cutoff surfaces modulate the plasma reflections, yielding a 2D image of electron density fluctuations. Details are presented of the receiver down conversion electronics that generate the in-phase (I) and quadrature (Q) reflectometer signals from which 2D density fluctuation data are obtained. Also presented are details on the control system and backplane used to manage the electronics as well as an introduction to the computer based control program.

  11. Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion-MoS2 sandwich interfaces.

    PubMed

    Su, Jie; Feng, Liping; Zeng, Wei; Liu, Zhengtang

    2017-06-08

    Metal/insertion-MoS2 sandwich interfaces are designed to reduce the Schottky barriers at metal-MoS2 interfaces. The effects of geometric and electronic structures of two-dimensional (2D) insertion materials on the contact properties of metal/insertion-MoS2 interfaces are comparatively studied by first-principles calculations. Regardless of the geometric and electronic structures of 2D insertion materials, Fermi level pinning effects and charge scattering at the metal/insertion-MoS2 interface are weakened due to weak interactions between the insertion and MoS2 layers, no gap states and negligible structural deformations for MoS2 layers. The Schottky barriers at metal/insertion-MoS2 interfaces are induced by three interface dipoles and four potential steps that are determined by the charge transfers and structural deformations of 2D insertion materials. The lower the electron affinities of 2D insertion materials, the more are the electrons lost from the Sc surface, resulting in lower n-type Schottky barriers at Sc/insertion-MoS2 interfaces. The larger the ionization potentials and the thinner the thicknesses of 2D insertion materials, the fewer are the electrons that accumulate at the Pt surface, leading to lower p-type Schottky barriers at Pt/insertion-MoS2 interfaces. All Sc/insertion-MoS2 interfaces exhibited ohmic characters. The Pt/BN-MoS2 interface exhibits the lowest p-type Schottky barrier of 0.52 eV due to the largest ionization potential (∼6.88 eV) and the thinnest thickness (single atomic layer thickness) of BN. These results in this work are beneficial to understand and design high performance metal/insertion-MoS2 interfaces through 2D insertion materials.

  12. 2D 31P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP7

    NASA Astrophysics Data System (ADS)

    Benndorf, Christopher; Hohmann, Andrea; Schmidt, Peer; Eckert, Hellmut; Johrendt, Dirk; Schäfer, Konrad; Pöttgen, Rainer

    2016-03-01

    Phase pure polycrystalline PbP7 was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published 31P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the 31P chemical shift and structural parameters. PbP7 decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP7 as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s2 lone pairs in the electron localization function ELF.

  13. 2D {sup 31}P solid state NMR spectroscopy, electronic structure and thermochemistry of PbP{sub 7}

    SciTech Connect

    Benndorf, Christopher; Hohmann, Andrea; Schmidt, Peer; Eckert, Hellmut; Johrendt, Dirk; and others

    2016-03-15

    Phase pure polycrystalline PbP{sub 7} was prepared from the elements via a lead flux. Crystalline pieces with edge-lengths up to 1 mm were obtained. The assignment of the previously published {sup 31}P solid state NMR spectrum to the seven distinct crystallographic sites was accomplished by radio-frequency driven dipolar recoupling (RFDR) experiments. As commonly found in other solid polyphosphides there is no obvious correlation between the {sup 31}P chemical shift and structural parameters. PbP{sub 7} decomposes incongruently under release of phosphorus forming liquid lead as remainder. The thermal decomposition starts at T>550 K with a vapor pressure almost similar to that of red phosphorus. Electronic structure calculations reveal PbP{sub 7} as a semiconductor according to the Zintl description and clearly shows the stereo-active Pb-6s{sup 2} lone pairs in the electron localization function ELF. - Graphical abstract: Coordination of the lead atoms in PbP{sub 7}.

  14. Synthesis of solid textures based on a 2D example: application to the synthesis of 3D carbon structures observed by transmission electronic microscopy

    NASA Astrophysics Data System (ADS)

    Da Costa, Jean-Pierre; Germain, Christian

    2010-01-01

    We propose a novel parametric approach which aims at the synthesis of anisotropic solid textures from the analysis of a single 2D exemplar. This approach is an extension of the pyramidal scheme of Portilla and Simoncelli. It proceeds in three main steps: first, a 2D analysis of the example is performed which produces a set of reference statistics. Then, 3D reference statistics are inferred from the 2D ones thanks to specific anisotropy assumptions. The final step aims at the synthesis itself: the 3D target statistics are imposed on a random 3D block according to a specific multi resolution pyramidal scheme. The approach is applied to the synthesis of solid textures representative of the structure of dense pre-graphitic carbons. The samples are lattice fringe images obtained by high resolution transmission electronic microscopy (HRTEM). HRTEM samples with increasing structural order are used for the experimental evaluation. The produced solid textures exhibit anisotropy properties similar to those observed in the HRTEM samples. Such an approach can easily be extended to any 3D anisotropic structures showing stacks of layers such as wood grain images, seismic data, etc.

  15. Electron hopping transport in 2D zinc oxide nanoflakes

    NASA Astrophysics Data System (ADS)

    Jian, Dunliang; Lai, Jian-Jhong; Lin, Yen-Fu; Zhai, Jianpang; Li, Irene Ling; Tian, Feng; Wang, Shulin; Hua, Ping; Ku, Ming-Ming; Jian, Wen-Bin; Ruan, Shuangchen; Tang, Zikang

    2017-06-01

    A sequential hydrothermal process was used to synthesize ZnO nanostructures on Si substrates. The synthesized ZnO nanostructures were inspected and presented a morphology of 2D structures, named nanoflakes. These ZnO nanoflakes had a thickness of tens of nanometers. An energy dispersive x-ray spectrum revealed their composition of only Zn and O elements. In addition, its crystalline structure was investigated by high-resolution transmission electron microscopy. The nanoflakes were then dispersed for another morphology measurement using atomic force microscopy and their average thickness was determined. The dispersed nanoflakes were further contacted with metal electrodes for electron transport measurements. Through the analysis of temperature-dependent resistivity, it was confirmed that the electron transport in such ZnO nanoflakes agrees well with the theory of Mott’s 2D variable range hopping. The nature of the 2D electron system in the ZnO nanoflakes points to potential applications of this 2D semiconductor as a new channel material for electronics.

  16. Direct Printing of 1-D and 2-D Electronically Conductive Structures by Molten Lead-Free Solder

    PubMed Central

    Wang, Chien-Hsun; Tsai, Ho-Lin; Hwang, Weng-Sing

    2016-01-01

    This study aims to determine the effects of appropriate experimental parameters on the thermophysical properties of molten micro droplets, Sn-3Ag-0.5Cu solder balls with an average droplet diameter of 50 μm were prepared. The inkjet printing parameters of the molten micro droplets, such as the dot spacing, stage velocity and sample temperature, were optimized in the 1D and 2D printing of metallic microstructures. The impact and mergence of molten micro droplets were observed with a high-speed digital camera. The line width of each sample was then calculated using a formula over a temperature range of 30 to 70 °C. The results showed that a metallic line with a width of 55 μm can be successfully printed with dot spacing (50 μm) and the stage velocity (50 mm∙s−1) at the substrate temperature of 30 °C. The experimental results revealed that the height (from 0.63 to 0.58) and solidification contact angle (from 72° to 56°) of the metallic micro droplets decreased as the temperature of the sample increased from 30 to 70 °C. High-speed digital camera (HSDC) observations showed that the quality of the 3D micro patterns improved significantly when the droplets were deposited at 70 °C. PMID:28772361

  17. Momentum-resolved view of mixed 2D and nonbulklike 3D electronic structure of the surface state on SrTiO3 (001)

    NASA Astrophysics Data System (ADS)

    Plumb, N. C.; Salluzzo, M.; Razzoli, E.; Mansson, M.; Krempasky, J.; Matt, C. E.; Schmitt, T.; Shi, M.; Mesot, J.; Patthey, L.; Radovic, M.

    2014-03-01

    The recent discovery of a metallic surface state on SrTiO3 may open a route to simplified low-dimensional oxide-based conductors, as well as give new insights into interfacial phenomena in heterostructures such as LaAlO3/SrTiO3. Our recent angle-resolved photoemission spectroscopy (ARPES) study demonstrates that not only quasi-2D but also non-bulklike 3D Fermi surface components make up the surface state. Like their more 2D counterparts, the size and character of the 3D components are fixed with respect to a broad range of sample preparations. As seen in previous studies, the surface state can be ``prepared'' by photon irradiation under UHV conditions. An extremely high fraction of the surface valence states are affected by this process, especially in relation to the stability of oxygen core level intensity during the same exposure, which points to a key role of electronic/structural changes that spread over the surface as the metal emerges.

  18. High-throughput critical dimensions uniformity (CDU) measurement of two-dimensional (2D) structures using scanning electron microscope (SEM) systems

    NASA Astrophysics Data System (ADS)

    Fullam, Jennifer; Boye, Carol; Standaert, Theodorus; Gaudiello, John; Tomlinson, Derek; Xiao, Hong; Fang, Wei; Zhang, Xu; Wang, Fei; Ma, Long; Zhao, Yan; Jau, Jack

    2011-03-01

    In this paper, we tested a novel methodology of measuring critical dimension (CD) uniformity, or CDU, with electron beam (e-beam) hotspot inspection and measurement systems developed by Hermes Microvision, Inc. (HMI). The systems were used to take images of two-dimensional (2D) array patterns and measure CDU values in a custom designated fashion. Because this methodology combined imaging of scanning micro scope (SEM) and CD value averaging over a large array pattern of optical CD, or OCD, it can measure CDU of 2D arrays with high accuracy, high repeatability and high throughput.

  19. Band-structure engineering in conjugated 2D polymers.

    PubMed

    Gutzler, Rico

    2016-10-26

    Conjugated polymers find widespread application in (opto)electronic devices, sensing, and as catalysts. Their common one-dimensional structure can be extended into the second dimension to create conjugated planar sheets of covalently linked molecules. Extending π-conjugation into the second dimension unlocks a new class of semiconductive polymers which as a consequence of their unique electronic properties can find usability in numerous applications. In this article the theoretical band structures of a set of conjugated 2D polymers are compared and information on the important characteristics band gap and valence/conduction band dispersion is extracted. The great variance in these characteristics within the investigated set suggests 2D polymers as exciting materials in which band-structure engineering can be used to tailor sheet-like organic materials with desired electronic properties.

  20. Controlling Structural Anisotropy of Anisotropic 2D Layers in Pseudo-1D/2D Material Heterojunctions.

    PubMed

    Chen, Bin; Wu, Kedi; Suslu, Aslihan; Yang, Sijie; Cai, Hui; Yano, Aliya; Soignard, Emmanuel; Aoki, Toshihiro; March, Katia; Shen, Yuxia; Tongay, Sefaattin

    2017-07-10

    Chemical vapor deposition and growth dynamics of highly anisotropic 2D lateral heterojunctions between pseudo-1D ReS2 and isotropic WS2 monolayers are reported for the first time. Constituent ReS2 and WS2 layers have vastly different atomic structure, crystallizing in anisotropic 1T' and isotropic 2H phases, respectively. Through high-resolution scanning transmission electron microscopy, electron energy loss spectroscopy, and angle-resolved Raman spectroscopy, this study is able to provide the very first atomic look at intimate interfaces between these dissimilar 2D materials. Surprisingly, the results reveal that ReS2 lateral heterojunctions to WS2 produce well-oriented (highly anisotropic) Re-chains perpendicular to WS2 edges. When vertically stacked, Re-chains orient themselves along the WS2 zigzag direction, and consequently, Re-chains exhibit six-fold rotation, resulting in loss of macroscopic scale anisotropy. The degree of anisotropy of ReS2 on WS2 largely depends on the domain size, and decreases for increasing domain size due to randomization of Re-chains and formation of ReS2 subdomains. Present work establishes the growth dynamics of atomic junctions between novel anisotropic/isotropic 2D materials, and overall results mark the very first demonstration of control over anisotropy direction, which is a significant leap forward for large-scale nanomanufacturing of anisotropic systems. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Calculation of wakefields in 2D rectangular structures

    DOE PAGES

    Zagorodnov, I.; Bane, K. L. F.; Stupakov, G.

    2015-10-19

    We consider the calculation of electromagnetic fields generated by an electron bunch passing through a vacuum chamber structure that, in general, consists of an entry pipe, followed by some kind of transition or cavity, and ending in an exit pipe. We limit our study to structures having rectangular cross section, where the height can vary as function of longitudinal coordinate but the width and side walls remain fixed. For such structures, we derive a Fourier representation of the wake potentials through one-dimensional functions. A new numerical approach for calculating the wakes in such structures is proposed and implemented in themore » computer code echo(2d). The computation resource requirements for this approach are moderate and comparable to those for finding the wakes in 2D rotationally symmetric structures. Finally, we present numerical examples obtained with the new numerical code.« less

  2. Splashing transients of 2D plasmons launched by swift electrons

    PubMed Central

    Lin, Xiao; Kaminer, Ido; Shi, Xihang; Gao, Fei; Yang, Zhaoju; Gao, Zhen; Buljan, Hrvoje; Joannopoulos, John D.; Soljačić, Marin; Chen, Hongsheng; Zhang, Baile

    2017-01-01

    Launching of plasmons by swift electrons has long been used in electron energy–loss spectroscopy (EELS) to investigate the plasmonic properties of ultrathin, or two-dimensional (2D), electron systems. However, the question of how a swift electron generates plasmons in space and time has never been answered. We address this issue by calculating and demonstrating the spatial-temporal dynamics of 2D plasmon generation in graphene. We predict a jet-like rise of excessive charge concentration that delays the generation of 2D plasmons in EELS, exhibiting an analog to the hydrodynamic Rayleigh jet in a splashing phenomenon before the launching of ripples. The photon radiation, analogous to the splashing sound, accompanies the plasmon emission and can be understood as being shaken off by the Rayleigh jet–like charge concentration. Considering this newly revealed process, we argue that previous estimates on the yields of graphene plasmons in EELS need to be reevaluated. PMID:28138546

  3. 2-D Imaging of Electron Temperature in Tokamak Plasmas

    SciTech Connect

    T. Munsat; E. Mazzucato; H. Park; C.W. Domier; M. Johnson; N.C. Luhmann Jr.; J. Wang; Z. Xia; I.G.J. Classen; A.J.H. Donne; M.J. van de Pol

    2004-07-08

    By taking advantage of recent developments in millimeter wave imaging technology, an Electron Cyclotron Emission Imaging (ECEI) instrument, capable of simultaneously measuring 128 channels of localized electron temperature over a 2-D map in the poloidal plane, has been developed for the TEXTOR tokamak. Data from the new instrument, detailing the MHD activity associated with a sawtooth crash, is presented.

  4. Bismides: 2D structures and quantum dots

    NASA Astrophysics Data System (ADS)

    Pačebutas, Vaidas; Butkutė, Renata; Čechavičius, Bronislovas; Stanionytė, Sandra; Pozingytė, Evelina; Skapas, Martynas; Selskis, Algirdas; Geižutis, Andrejus; Krotkus, Arūnas

    2017-09-01

    The growth and characterization of ternary GaAsBi and quaternary GaInAsBi compound quantum wells (QWs) on GaAs substrates is presented in this study. The influence of technological parameters, such as different growth modes, substrate temperatures, beam equivalent pressure ratios and thermal treating on structural and luminescent properties of QWs is discussed. The complex structural investigations using x-ray diffraction, atomic force microscopy and high-resolution transmission electron microscopy revealed high crystal structure, smooth surfaces and abrupt interfaces of both GaAsBi and GaInAsBi QWs. The temperature dependent photoluminescence measurements demonstrated emission wavelengths up to 1.43 µm in room temperature PL spectra measured for GaAsBi/GaAs QWs containing 12% Bi, whereas GaInAsBi QWs with 4.2% of bismuth inserted between GaAs barriers has reached 1.25 µm. Moreover, the annealing at high temperatures of GaAsBi/AlAs QWs stimulated agglomeration of bismuth to quantum dots in the well layers, emitting at 1.5 µm. The achieved wavelengths are the longest ones declared for the GaAsBi and GaInAsBi QW structures grown on the GaAs substrate, therefore bismide-based QWs are the promising structures for applications in infrared devices.

  5. Graphene band structure and its 2D Raman mode

    NASA Astrophysics Data System (ADS)

    Narula, Rohit; Reich, Stephanie

    2014-08-01

    High-precision simulations are used to generate the 2D Raman mode of graphene under a range of screening conditions and laser energies EL. We reproduce the decreasing trend of the 2D mode FWHM vs EL and the nearly linearly increasing dispersion ∂ω2D/∂EL seen experimentally in freestanding (unscreened) graphene, and propose relations between these experimentally accessible quantities and the local, two-dimensional gradients |∇ | of the electronic and TO phonon bands. In light of state-of-the-art electronic structure calculations that acutely treat the long-range e-e interactions of isolated graphene and its experimentally observed 2D Raman mode, our calculations determine a 40% greater slope of the TO phonons about K than given by explicit phonon measurements performed in graphite or GW phonon calculations in graphene. We also deduce the variation of the broadening energy γ [EL] for freestanding graphene and find a nominal value γ ˜140 meV, showing a gradually increasing trend for the range of frequencies available experimentally.

  6. Transport Experiments on 2D Correlated Electron Physics in Semiconductors

    SciTech Connect

    Tsui, Daniel

    2014-03-24

    This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.

  7. Substrate effects and dielectric integration in 2D electronics

    NASA Astrophysics Data System (ADS)

    Chamlagain, Bhim Prasad

    The ultra-thin body of monolayer (and few-layer) two dimensional (2D) semiconducting materials such as transitional metal dichalconiges (TMDs), black phosphorous (BP) has demonstrated tremendous beneficial physical, transport, and optical properties for a wide range of applications. Because of their ultrathin bodies, the properties of 2D materials are highly sensitive to environmental effects. Particularly, the performance of 2D semiconductor electronic devices is strongly dependent on the substrate/dielectric properties, extrinsic impurities and absorbates. In this work, we systematically studied the transport properties of mechanically exfoliated few layer TMD field-effect transistors (FETs) consistently fabricated on various substrates including SiO2,Parylene -C, Al2O3, SiO2 modified by octadecyltrimethoxysilane (OTMS) self-assembled monolayer (SAMs), and hexagonal boron nitride (h-BN). We performed variable temperature transport measurements to understand the effects of various scattering mechanisms such as remote surface phonon scattering, coulomb scattering, surface roughness scattering on the mobility of these devices. To reveal the intrinsic channel properties, we also investigated TMD devices encapsulated by h-BN. To further optimize the dielectric interface and electrostatic control of the TMD channels, we developed a novel thermal-oxidation method to turn few-layer 2D metals into ultrathin and atomically flat high -kappa dielectrics. In order to optimize the performance of TMD electronic devices, it is also critical to fabricate low resistance ohmic contacts required for effectively injecting charge carriers into the TMD channel. Along this direction, we developed a new contact strategy to minimize the contact resistance for a variety of TMDs by van der Waals assembly of doped TMDs as contacts and undoped TMDs as channel materials. The developed unique method for low-resistance ohmic contacts achieved using the 2D/2D contact strategy and novel technique

  8. Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus.

    PubMed

    Qiu, Diana Y; da Jornada, Felipe H; Louie, Steven G

    2017-08-09

    Few-layer black phosphorus has recently emerged as a promising 2D semiconductor, notable for its widely tunable bandgap, highly anisotropic properties, and theoretically predicted large exciton binding energies. To avoid degradation, it has become common practice to encapsulate black phosphorus devices. It is generally assumed that this encapsulation does not qualitatively affect their optical properties. Here, we show that the contrary is true. We have performed ab initio GW and GW plus Bethe-Salpeter equation (GW-BSE) calculations to determine the quasiparticle (QP) band structure and optical spectrum of one-layer (1L) through four-layer (4L) black phosphorus, with and without encapsulation between hexagonal boron nitride and sapphire. We show that black phosphorus is exceptionally sensitive to environmental screening. Encapsulation reduces the exciton binding energy in 1L by as much as 70% and completely eliminates the presence of a bound exciton in the 4L structure. The reduction in the exciton binding energies is offset by a similarly large renormalization of the QP bandgap so that the optical gap remains nearly unchanged, but the nature of the excited states and the qualitative features of the absorption spectrum change dramatically.

  9. Atomic rearrangement of a sputtered MoS2 film from amorphous to a 2D layered structure by electron beam irradiation.

    PubMed

    Kim, Bong Ho; Gu, Hyun Ho; Yoon, Young Joon

    2017-06-20

    We synthesised a crystalline MoS2 film from as-sputtered amorphous film by applying an electron beam irradiation (EBI) process. A collimated electron beam (60 mm dia.) with an energy of 1 kV was irradiated for only 1 min to achieve crystallisation without an additional heating process. After the EBI process, we observed a two-dimensional layered structure of MoS2 about 4 nm thick and with a hexagonal atomic arrangement on the surface. A stoichiometric MoS2 film was confirmed to grow well on SiO2/Si substrates and include partial oxidation of Mo. In our experimental configuration, EBI on an atomically thin MoS2 layer stimulated the transformation from a thermodynamically unstable amorphous structure to a stable crystalline nature with a nanometer grain size. We employed a Monte Carlo simulation to calculate the penetration depth of electrons into the MoS2 film and investigated the atomic rearrangement of the amorphous MoS2 structure.

  10. Organic High Electron Mobility Transistors Realized by 2D Electron Gas.

    PubMed

    Zhang, Panlong; Wang, Haibo; Yan, Donghang

    2017-09-01

    A key breakthrough in inorganic modern electronics is the energy-band engineering that plays important role to improve device performance or develop novel functional devices. A typical application is high electron mobility transistors (HEMTs), which utilizes 2D electron gas (2DEG) as transport channel and exhibits very high electron mobility over traditional field-effect transistors (FETs). Recently, organic electronics have made very rapid progress and the band transport model is demonstrated to be more suitable for explaining carrier behavior in high-mobility crystalline organic materials. Therefore, there emerges a chance for applying energy-band engineering in organic semiconductors to tailor their optoelectronic properties. Here, the idea of energy-band engineering is introduced and a novel device configuration is constructed, i.e., using quantum well structures as active layers in organic FETs, to realize organic 2DEG. Under the control of gate voltage, electron carriers are accumulated and confined at quantized energy levels, and show efficient 2D transport. The electron mobility is up to 10 cm(2) V(-1) s(-1) , and the operation mechanisms of organic HEMTs are also argued. Our results demonstrate the validity of tailoring optoelectronic properties of organic semiconductors by energy-band engineering, offering a promising way for the step forward of organic electronics. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. Quantum Oscillations in an Interfacial 2D Electron Gas.

    SciTech Connect

    Zhang, Bingop; Lu, Ping; Liu, Henan; Lin, Jiao; Ye, Zhenyu; Jaime, Marcelo; Balakirev, Fedor F.; Yuan, Huiqiu; Wu, Huizhen; Pan, Wei; Zhang, Yong

    2016-01-01

    Recently, it has been predicted that topological crystalline insulators (TCIs) may exist in SnTe and Pb1-xSnxTe thin films [1]. To date, most studies on TCIs were carried out either in bulk crystals or thin films, and no research activity has been explored in heterostructures. We present here the results on electronic transport properties of the 2D electron gas (2DEG) realized at the interfaces of PbTe/ CdTe (111) heterostructures. Evidence of topological state in this interfacial 2DEG was observed.

  12. Optimizing sparse sampling for 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Roeding, Sebastian; Klimovich, Nikita; Brixner, Tobias

    2017-02-01

    We present a new data acquisition concept using optimized non-uniform sampling and compressed sensing reconstruction in order to substantially decrease the acquisition times in action-based multidimensional electronic spectroscopy. For this we acquire a regularly sampled reference data set at a fixed population time and use a genetic algorithm to optimize a reduced non-uniform sampling pattern. We then apply the optimal sampling for data acquisition at all other population times. Furthermore, we show how to transform two-dimensional (2D) spectra into a joint 4D time-frequency von Neumann representation. This leads to increased sparsity compared to the Fourier domain and to improved reconstruction. We demonstrate this approach by recovering transient dynamics in the 2D spectrum of a cresyl violet sample using just 25% of the originally sampled data points.

  13. Femtosecond Dynamics of Electrons in 2-D Dissipative Systems

    NASA Astrophysics Data System (ADS)

    Harris, Charles

    2000-03-01

    Transitions between weakly coupled initial and final states can be treated with a lowest order perturbation theory in the electronic coupling which yields the well-known golden rule in this non-adiabatic limit. In strongly interacting systems, one often resorts to semiclassical treatments, such as the Landau-Zener formula for the transition probability in the adiabatic limit. Recent electron transfer theory by Stuchebrukhov and Song treats the two limit on equal footing by summing over all perturbation orders in electronic coupling[1]. Here we present the application of this theory to model the dynamics of electron self-trapping in 2-D at the n-heptane/Ag(111) and anthracene/Ag(111) interface. Our results revealed an intermediate electronic coupling for the self-trapping process at the n-heptane/Ag(111) interface which can mainly be described by a non-adiabatic process. Results for electron self-trapping at the anthracene/Ag(111) interface revealed a stronger electronic coupling which requires the summing of higher perturbation orders. [1] A.A. Stuchebrukhov and X. song, J. Chem. Phys. 101, 9354, 1994. [2] N.-H. Ge,C.M. Wong, R.L. Lingle, Jr., J.D. McNeill, K.J. Gaffney, and C.B. Harris, Science 279, 202, 1998.

  14. 2D Radiative Transfer in Magnetically Confined Structures

    NASA Astrophysics Data System (ADS)

    Heinzel, P.; Anzer, U.

    2003-01-01

    Magnetically confined structures in the solar atmosphere exhibit a large complexity in their shapes and physical conditions. As an example, we show the case of so-called magnetic dips in prominences which are in magnetohydrostatic equilibria. For such models we solve 2D non-LTE multilevel problem for hydrogen with PRD in Lyman resonance lines. The iterative technique used is based on the MALI approach with simple diagonal ALO and SC formal solver. To compute the hydrogen ionization balance, the preconditioned MALI equations are linearized with respect to atomic level populations and electron density and solved iteratively using the Newton-Raphson scheme. Two additional problems are addressed: (i) an adequate iteration method for cases when the column-mass scale is used in one of the two dimensions but varies along the other dimension (which has a geometrical scaling); and (ii) a possibility of using AMR (Adaptive Mesh Refinement) algorithms to account for steep 2D gradients of selected variables (temperature, density, etc.).

  15. Coherent-pulse 2D crystallography using a free-electron laser x-ray source.

    PubMed

    Mancuso, A P; Schropp, A; Reime, B; Stadler, L-M; Singer, A; Gulden, J; Streit-Nierobisch, S; Gutt, C; Grübel, G; Feldhaus, J; Staier, F; Barth, R; Rosenhahn, A; Grunze, M; Nisius, T; Wilhein, T; Stickler, D; Stillrich, H; Frömter, R; Oepen, H-P; Martins, M; Pfau, B; Günther, C M; Könnecke, R; Eisebitt, S; Faatz, B; Guerassimova, N; Honkavaara, K; Kocharyan, V; Treusch, R; Saldin, E; Schreiber, S; Schneidmiller, E A; Yurkov, M V; Weckert, E; Vartanyants, I A

    2009-01-23

    Coherent diffractive imaging for the reconstruction of a two-dimensional (2D) finite crystal structure with a single pulse train of free-electron laser radiation at 7.97 nm wavelength is demonstrated. This measurement shows an advance on traditional coherent imaging techniques by applying it to a periodic structure. It is also significant that this approach paves the way for the imaging of the class of specimens which readily form 2D, but not three-dimensional crystals. We show that the structure is reconstructed to the detected resolution, given an adequate signal-to-noise ratio.

  16. PdSe2: Pentagonal 2D Layers with High Air Stability for Electronics

    DOE PAGES

    Ghosh, Avik W.; Yu, Peng; Liu, Zheng; ...

    2017-09-01

    Most studied two-dimensional (2D) materials exhibit isotropic behavior due to high lattice symmetry; however, lower-symmetry 2D materials such as phosphorene and other elemental 2D materials exhibit very interesting anisotropic properties. In this work, we report the atomic structure, electronic properties, and vibrational modes of few-layered PdSe2, exfoliated from bulk crystals, a pentagonal 2D layered noble transition metal dichalcogenide with a puckered morphology that is air-stable. Micro-absorption optical spectroscopy and first-principles calculations reveal a wide band gap variation in this material from ~0 (bulk) to ~1.3 eV (monolayer). The Raman active vibrational modes of PdSe2 were identified using polarized Raman spectroscopy,more » and the strong interlayer interaction was revealed from the large thickness-dependent Raman peak shifts, agreeing with first-principles Raman simulations. Field-effect transistors made from the few-layer PdSe2 display tunable ambipolar charge carrier conduction with a high electron apparent field-effect mobility of ~158 cm2V-1s-1, indicating the promise of this anisotropic, air-stable, pentagonal 2D material for 2D electronics.« less

  17. Electron-Phonon Scattering in Atomically Thin 2D Perovskites.

    PubMed

    Guo, Zhi; Wu, Xiaoxi; Zhu, Tong; Zhu, Xiaoyang; Huang, Libai

    2016-11-22

    Two-dimensional (2D) atomically thin perovskites with strongly bound excitons are highly promising for optoelectronic applications. However, the nature of nonradiative processes that limit the photoluminescence (PL) efficiency remains elusive. Here, we present time-resolved and temperature-dependent PL studies to systematically address the intrinsic exciton relaxation pathways in layered (C4H9NH3)2(CH3NH3)n-1PbnI3n+1 (n = 1, 2, 3) structures. Our results show that scatterings via deformation potential by acoustic and homopolar optical phonons are the main scattering mechanisms for excitons in ultrathin single exfoliated flakes, exhibiting a T(γ) (γ = 1.3 to 1.9) temperature dependence for scattering rates. We attribute the absence of polar optical phonon and defect scattering to efficient screening of Coulomb potential, similar to what has been observed in 3D perovskites. These results establish an understanding of the origins of nonradiative pathways and provide guidelines for optimizing PL efficiencies of atomically thin 2D perovskites.

  18. Generating a 2D Representation of a Complex Data Structure

    NASA Technical Reports Server (NTRS)

    James, Mark

    2006-01-01

    A computer program, designed to assist in the development and debugging of other software, generates a two-dimensional (2D) representation of a possibly complex n-dimensional (where n is an integer >2) data structure or abstract rank-n object in that other software. The nature of the 2D representation is such that it can be displayed on a non-graphical output device and distributed by non-graphical means.

  19. Photocarrier transport in 2D macroporous silicon structures

    NASA Astrophysics Data System (ADS)

    Karachevtseva, L.; Onyshchenko, V.; Sachenko, A.

    2010-12-01

    The mechanisms of photocarrier transport through a barrier in the surface space-charge region (SCR) of 2D macroporous silicon structures have been studied at photon energies comparable to that of the silicon indirect band-to-band transition. It was found that the photoconductivity relaxation time was determined by the light modulation of barrier on the macropore surface; as a result, the relaxation itself obeyed the logarithmic law. The temperature dependence of the photoconductivity relaxation time was determined by the thermionic emission mechanism of the current transport in the SCR at temperatures T > 180 K, and by the tunnel current flow at T < 100 K, with temperature-independent tunnelling probability. The photo-emf was found to become saturated or reverse its sign to negative at temperatures below 130 K because of light absorption due to optical transitions via surface electronic states close to the silicon conduction band. In this case, the surface band bending increases due to the growth of a negative charge of the semiconductor surface. The equilibrium electrons in the bulk and photoexcited holes on the macropore surface recombine through the channel of multistage tunnel recombination between the conduction and valence bands.

  20. Nano-scale electronic and optoelectronic devices based on 2D crystals

    NASA Astrophysics Data System (ADS)

    Zhu, Wenjuan

    In the last few years, the research community has been rapidly growing interests in two-dimensional (2D) crystals and their applications. The properties of these 2D crystals are diverse -- ranging from semi-metal such as graphene, semiconductors such as MoS2, to insulator such as boron nitride. These 2D crystals have many unique properties as compared to their bulk counterparts due to their reduced dimensionality and symmetry. A key difference is the band structures, which lead to distinct electronic and photonic properties. The 2D nature of the material also plays an important role in defining their exceptional properties of mechanical strength, surface sensitivity, thermal conductivity, tunable band-gap and their interaction with light. These unique properties of 2D crystals open up a broad territory of applications in computing, communication, energy, and medicine. In this talk, I will present our work on understanding the electrical properties of graphene and MoS2, in particular current transport and band-gap engineering in graphene, interface between gate dielectrics and graphene, and gap states in MoS2. I will also present our work on the nano-scale electronic devices (RF and logic devices) and photonic devices (plasmonic devices and photo-detectors) based on these 2D crystals.

  1. Promising Thermoelectric Bulk Materials with 2D Structures.

    PubMed

    Zhou, Yiming; Zhao, Li-Dong

    2017-07-24

    Given that more than two thirds of all energy is lost, mostly as waste heat, in utilization processes worldwide, thermoelectric materials, which can directly convert waste heat to electricity, provide an alternative option for optimizing energy utilization processes. After the prediction that superlattices may show high thermoelectric performance, various methods based on quantum effects and superlattice theory have been adopted to analyze bulk materials, leading to the rapid development of thermoelectric materials. Bulk materials with two-dimensional (2D) structures show outstanding properties, and their high performance originates from both their low thermal conductivity and high Seebeck coefficient due to their strong anisotropic features. Here, the advantages of superlattices for enhancing the thermoelectric performance, the transport mechanism in bulk materials with 2D structures, and optimization methods are discussed. The phenomenological transport mechanism in these materials indicates that thermal conductivities are reduced in 2D materials with intrinsically short mean free paths. Recent progress in the transport mechanisms of Bi2 Te3 -, SnSe-, and BiCuSeO-based systems is summarized. Finally, possible research directions to enhance the thermoelectric performance of bulk materials with 2D structures are briefly considered. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Synchronization of semiconductor laser arrays with 2D Bragg structures

    NASA Astrophysics Data System (ADS)

    Baryshev, V. R.; Ginzburg, N. S.

    2016-08-01

    A model of a planar semiconductor multi-channel laser is developed. In this model two-dimensional (2D) Bragg mirror structures are used for synchronizing radiation of multiple laser channels. Coupling of longitudinal and transverse waves can be mentioned as the distinguishing feature of these structures. Synchronization of 20 laser channels is demonstrated with a semi-classical approach based on Maxwell-Bloch equations.

  3. Structural Complexity and Phonon Physics in 2D Arsenenes.

    PubMed

    Carrete, Jesús; Gallego, Luis J; Mingo, Natalio

    2017-03-15

    In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends crucially on temperature. We also show that one of those four phases is in fact mechanically unstable. Furthermore, our results challenge the common assumption of an inverse correlation between structural complexity and thermal conductivity. Instead, a richer picture emerges from our results, showing how harmonic interactions, anharmonicity, and symmetries all play a role in modulating thermal conduction in arsenenes. More generally, our conclusions highlight how vibrational properties are an essential element to be carefully taken into account in theoretical searches for new 2D materials.

  4. Crystal Structure of Human Cytochrome P450 2D6 with Prinomastat Bound*

    PubMed Central

    Wang, An; Savas, Uzen; Hsu, Mei-Hui; Stout, C. David; Johnson, Eric F.

    2012-01-01

    Human cytochrome P450 2D6 contributes to the metabolism of >15% of drugs used in clinical practice. This study determined the structure of P450 2D6 complexed with a substrate and potent inhibitor, prinomastat, to 2.85 Å resolution by x-ray crystallography. Prinomastat binding is well defined by electron density maps with its pyridyl nitrogen bound to the heme iron. The structure of ligand-bound P450 2D6 differs significantly from the ligand-free structure reported for the P450 2D6 Met-374 variant (Protein Data Bank code 2F9Q). Superposition of the structures reveals significant differences for β sheet 1, helices A, F, F′, G″, G, and H as well as the helix B-C loop. The structure of the ligand complex exhibits a closed active site cavity that conforms closely to the shape of prinomastat. The closure of the open cavity seen for the 2F9Q structure reflects a change in the direction and pitch of helix F and introduction of a turn at Gly-218, which is followed by a well defined helix F′ that was not observed in the 2F9Q structure. These differences reflect considerable structural flexibility that is likely to contribute to the catalytic versatility of P450 2D6, and this new structure provides an alternative model for in silico studies of substrate interactions with P450 2D6. PMID:22308038

  5. The NH2D hyperfine structure revealed by astrophysical observations

    NASA Astrophysics Data System (ADS)

    Daniel, F.; Coudert, L. H.; Punanova, A.; Harju, J.; Faure, A.; Roueff, E.; Sipilä, O.; Caselli, P.; Güsten, R.; Pon, A.; Pineda, J. E.

    2016-02-01

    Context. The 111-101 lines of ortho- and para-NH2D (o/p-NH2D) at 86 and 110 GHz, respectively, are commonly observed to provide constraints on the deuterium fractionation in the interstellar medium. In cold regions, the hyperfine structure that is due to the nitrogen (14N) nucleus is resolved. To date, this splitting is the only one that is taken into account in the NH2D column density estimates. Aims: We investigate how including the hyperfine splitting caused by the deuterium (D) nucleus affects the analysis of the rotational lines of NH2D. Methods: We present 30 m IRAM observations of the above mentioned lines and APEX o/p-NH2D observations of the 101-000 lines at 333 GHz. The hyperfine patterns of the observed lines were calculated taking into account the splitting induced by the D nucleus. The analysis then relies on line lists that either neglect or include the splitting induced by the D nucleus. Results: The hyperfine spectra are first analyzed with a line list that only includes the hyperfine splitting that is due to the 14N nucleus. We find inconsistencies between the line widths of the 101-000 and 111-101 lines, the latter being larger by a factor of ~1.6 ± 0.3. Such a large difference is unexpected because the two sets of lines probably originate from the same region. We next employed a newly computed line list for the o/p-NH2D transitions where the hyperfine structure induced by both nitrogen and deuterium nuclei was included. With this new line list, the analysis of the previous spectra leads to compatible line widths. Conclusions: Neglecting the hyperfine structure caused by D leads to overestimating the line widths of the o/p-NH2D lines at 3 mm. The error for a cold molecular core is about 50%. This error propagates directly to the column density estimate. We therefore recommend to take the hyperfine splittings caused by both the 14N and D nuclei into account in any analysis that relies on these lines. Based on observations carried out with the IRAM

  6. Topologiacl Models of 2D Fractal Cellular Structures

    NASA Astrophysics Data System (ADS)

    Le Caër, G.; Delannay, R.

    1995-11-01

    In space-filling 2D cellular structures with trivalent vertices and in which each cell is constrained to share at most one side with any cell and no side with itself, the maximum fraction of three-sided cells is produced by a decoration of vertices of any initial structure by three-sided cells. Fractal cellular structures are obtained if the latter decoration process is iterated indefinitely. Other methods of constructions of fractal structures are also described. The probability distribution P(n) of the number n of cell sides and some two-cell topological properties of a 2D fractal cellular structure constructed from the triangular Sierpinski gasket are investigated. On the whole, the repartition of cells in 2D structures with n geq 3 and P(3) ne 0 evolve regularly when topological disorder, conveniently measured by the variance μ2 of P(n), increases. The strong correlations which exist among cells, in particular in natural structures (μ2lesssim 5), decrease progressively when μ2 increases, a cell repartition close to a random one being reached for μ2sim 12. We argue that the structures finally evolve to fractal structures (for which μ2 is infinite) but we have not characterized the latter transition. Dans des structures cellulaires 2D à sommets trivalents qui remplissent l'espace et dans lesquelles une cellule partage au plus un côté avec toute autre cellule et aucun avec elle-même, la proportion maximum admissible de cellules à trois côtés est obtenue par une décoration de tous les sommets d'une structure initiale quelconque par des cellules à trois côtés. Des structures cellulaires “fractales” 2D sont ainsi engendrées si le processus précédent est répété à l'infini. D'autres méthodes de constructions de structures fractales sont également décrites. La distribution de probabilité P(n) du nombre n de côtés des cellules ainsi que des corrélations de paires sont étudiées pour une structure cellulaire fractale construite à partir

  7. Selective control of electron and hole tunneling in 2D assembly

    PubMed Central

    Chu, Dongil; Lee, Young Hee; Kim, Eun Kyu

    2017-01-01

    Recent discoveries in the field of two-dimensional (2D) materials have led to the demonstration of exotic devices. Although they have new potential applications in electronics, thermally activated transport over a metal/semiconductor barrier sets physical subthermionic limitations. The challenge of realizing an innovative transistor geometry that exploits this concern remains. A new class of 2D assembly (namely, “carristor”) with a configuration similar to the metal-insulator-semiconductor structure is introduced in this work. Superior functionalities, such as a current rectification ratio of up to 400,000 and a switching ratio of higher than 106 at room temperature, are realized by quantum-mechanical tunneling of majority and minority carriers across the barrier. These carristors have a potential application as the fundamental building block of low–power consumption electronics. PMID:28439554

  8. Surface effects on electronic transport of 2D chalcogenide thin films and nanostructures.

    PubMed

    Jung, Yeonwoong; Shen, Jie; Cha, Judy J

    2014-01-01

    The renewed interest in two-dimensional materials, particularly transition metal dichalcogenides, has been explosive, evident in a number of review and perspective articles on the topic. Our ability to synthesize and study these 2D materials down to a single layer and to stack them to form van der Waals heterostructures opens up a wide range of possibilities from fundamental studies of nanoscale effects to future electronic and optoelectronic applications. Bottom-up and top-down synthesis and basic electronic properties of 2D chalcogenide materials have been covered in great detail elsewhere. Here, we bring attention to more subtle effects: how the environmental, surface, and crystal defects modify the electronic band structure and transport properties of 2D chalcogenide nanomaterials. Surface effects such as surface oxidation and substrate influence may dominate the overall transport properties, particularly in single layer chalcogenide devices. Thus, understanding such effects is critical for successful applications based on these materials. In this review, we discuss two classes of chalcogenides - Bi-based and Mo-based chalcogenides. The first are topological insulators with unique surface electronic properties and the second are promising for flexible optoelectronic applications as well as hydrogen evolution catalytic reactions.

  9. Spatial inhomogeneity and temporal dynamics of a 2D electron gas in interaction with a 2D adatom gas.

    PubMed

    Cheynis, F; Curiotto, S; Leroy, F; Müller, P

    2017-09-06

    Fundamental interest for 2D electron gas (2DEG) systems has been recently renewed with the advent of 2D materials and their potential high-impact applications in optoelectronics. Here, we investigate a 2DEG created by the electron transfer from a Ag adatom gas deposited on a Si(111) [Formula: see text]-Ag surface to an electronic surface state. Using low-energy electron microscopy (LEEM), we measure the Ag adatom gas concentration and the 2DEG-induced charge transfer. We demonstrate a linear dependence of the surface work function change on the Ag adatom gas concentration. A breakdown of the linear relationship is induced by the occurrence of the Ag adatom gas superstructure identified as Si(111) [Formula: see text]-Ag only observed below room temperature. We evidence below room temperature a confinement of the 2DEG on atomic terraces characterised by spatial inhomogeneities of the 2DEG-induced charge transfer along with temporal fluctuations. These variations mirror the Ag adatom gas concentration changes induced by the growth of 3D Ag islands and the occurrence of an Ehrlich-Schwoebel diffusion barrier of 155 ± 10 meV.

  10. Micro-structural Fluctuations in 2D Dusty Plasma Liquids

    SciTech Connect

    I Lin; Huang, Y.-H.; Teng, L.-W.

    2007-07-13

    We address structural fluctuations in a cold 2D dusty plasma liquid which is self-organized through the strong Coulomb coupling of the negatively charged micro-meter sized dust particles suspending in weakly ionized discharges. The 2D liquids consist of triangular type ordered domains surrounded by defect clusters, which can be reorganized through avalanche type hopping under the interplay of strong Coulomb coupling and thermal fluctuations. The spatio-temporal evolutions of the local bond-orientational order are directly tracked through digital optical microscopy. The power law scaling of the temporal persistence length of fluctuations is obtained for the cold liquid. The measurement of the conditional probability of the persistence lengths of the successive fluctuating cycles suggests certain types of the persistence length combinations are more preferred. The memory of persistence lasts a few fluctuating cycles.

  11. 2D Carbon Nanotube Network: A New material for Electronics

    NASA Astrophysics Data System (ADS)

    Gruner, George

    2006-03-01

    This talk will focus on the electronic properties of two dimensional carbon nanotube networks, and on their application potential. Percolation issues, together with the frequency, and temperature dependent activity will be discussed. The network can be tuned from having semiconducting to metallic like behavior, and doping with electron withdrawing and donating species leads to networks with tailor-made electronic properties. The network is also highly transparent in the visible spectral range, this attribute -- together with simple room temperature fab processes -- opens up application opportunities in the area of electronics, opto-electronics, photovoltaics and sensors. Recent results on solar cells, OLEDs and smart windows will be reviewed. Field effect transistors that incorporate nanotube network conducting channels, together with complex functional devices that incorporate networks and functional molecules will also be discussed. Finally a comparison will be made with conventional and emerging materials that compete area of disposable, flexible and printable electronics.

  12. Design of multi-functional 2D open-shell organic networks with mechanically controllable properties† †Electronic supplementary information (ESI) available: (1) plot of twist angle vs. energy profiles for TPM and PTM molecules, (2) plot of bi-axial vs. uni-axial strain, (3) plots of structure and spin density for PTM 2D-COF upon strain, (4) plots of band structure of PTM 2D-COF upon strain, (5) plot of SOMO–SUMO energy difference for TPM and PTM molecules, (6) full details of magnetic coupling calculations. See DOI: 10.1039/c6sc01412g Click here for additional data file.

    PubMed Central

    Alcón, Isaac; Reta, Daniel; Moreira, Iberio de P. R.

    2017-01-01

    Triarylmethyls (TAMs) are prominent highly attractive open shell organic molecular building blocks for materials science, having been used in breakthrough syntheses of organic magnetic polymers and metal organic frameworks. With their radical π-conjugated nature and a proven capacity to possess high stability via suitable chemical design, TAMs display a variety of desirable characteristics which can be exploited for a wide range of applications. Due to their particular molecular and electronic structure, the spin localization in TAMs almost entirely depends on the dihedral angles of their three aryl rings with respect to the central methyl carbon atom plane, which opens up the possibility of controlling their fundamental properties by twisting the three aryl rings. Aryl ring twist angles can be tuned to a single value by specific chemical functionalisation but controlling them by external means in organic materials or devices represents a challenging task which has not yet been experimentally achieved. Herein, through rational chemical design we propose two 2D covalent organic frameworks (2D-COFs) based on specific TAM building blocks. By employing ab initio computational modeling we demonstrate that it is possible to externally manipulate the aryl ring twist angles in these 2D-linked TAM frameworks by external mechanical means. Furthermore, we show this structural manipulation allows for finely tuning the most important characteristics of these materials such as spin localization, optical electronic transitions and magnetic interactions. Due to the enormous technological potential offered by this new class of material and the fact that our work is guided by real advances in organic materials synthesis, we believe that our predictions will inspire the experimental realization of radical-2D-COFs with externally controllable characteristics. PMID:28451241

  13. Assessing energy relaxation in 2d with ballistic electron spectroscopy

    NASA Astrophysics Data System (ADS)

    Hohls, F.; Pepper, M.; Griffiths, J. P.; Jones, G. A. C.; Ritchie, D. A.

    2007-04-01

    We demonstrate the use of ballistic electron spectroscopy in a two-dimensional electron system to assess energy relaxation of non-equilibrium electrons. The spectrometer consists of a quantum dot tuned to the transition between none and one electron on the dot. The readout of the spectrometer is provided by a nearby one-dimensional wire used as charge detector. We prepare a well defined distribution of non-equilibrium ballistic electrons using a quantum point contact on the first conductance plateau. The energy distribution evolves due to scattering during the 2.5 μm long path towards the spectrometer were it is detected. We use varying injection energy to map out the energy relaxation.

  14. Meshfree natural vibration analysis of 2D structures

    NASA Astrophysics Data System (ADS)

    Kosta, Tomislav; Tsukanov, Igor

    2014-02-01

    Determination of resonance frequencies and vibration modes of mechanical structures is one of the most important tasks in the product design procedure. The main goal of this paper is to describe a pioneering application of the solution structure method (SSM) to 2D structural natural vibration analysis problems and investigate the numerical properties of the method. SSM is a meshfree method which enables construction of the solutions to the engineering problems that satisfy exactly all prescribed boundary conditions. This method is capable of using spatial meshes that do not conform to the shape of a geometric model. Instead of using the grid nodes to enforce boundary conditions, it employs distance fields to the geometric boundaries and combines them with the basis functions and prescribed boundary conditions at run time. This defines unprecedented geometric flexibility of the SSM as well as the complete automation of the solution procedure. In the paper we will explain the key points of the SSM as well as investigate the accuracy and convergence of the proposed approach by comparing our results with the ones obtained using analytical methods or traditional finite element analysis. Despite in this paper we are dealing with 2D in-plane vibrations, the proposed approach has a straightforward generalization to model vibrations of 3D structures.

  15. 2D electron temperature diagnostic using soft x-ray imaging technique

    SciTech Connect

    Nishimura, K. Sanpei, A. Tanaka, H.; Ishii, G.; Kodera, R.; Ueba, R.; Himura, H.; Masamune, S.; Ohdachi, S.; Mizuguchi, N.

    2014-03-15

    We have developed a two-dimensional (2D) electron temperature (T{sub e}) diagnostic system for thermal structure studies in a low-aspect-ratio reversed field pinch (RFP). The system consists of a soft x-ray (SXR) camera with two pin holes for two-kinds of absorber foils, combined with a high-speed camera. Two SXR images with almost the same viewing area are formed through different absorber foils on a single micro-channel plate (MCP). A 2D T{sub e} image can then be obtained by calculating the intensity ratio for each element of the images. We have succeeded in distinguishing T{sub e} image in quasi-single helicity (QSH) from that in multi-helicity (MH) RFP states, where the former is characterized by concentrated magnetic fluctuation spectrum and the latter, by broad spectrum of edge magnetic fluctuations.

  16. HEXAGONAL ARRAY STRUCTURE FOR 2D NDE APPLICATIONS

    SciTech Connect

    Dziewierz, J.; Ramadas, S. N.; Gachagan, A.; O'Leary, R. L.

    2010-02-22

    This paper describes a combination of simulation and experimentation to evaluate the advantages offered by utilizing a hexagonal shaped array element in a 2D NDE array structure. The active material is a 1-3 connectivity piezoelectric composite structure incorporating triangular shaped pillars--each hexagonal array element comprising six triangular pillars. A combination of PZFlex, COMSOL and Matlab has been used to simulate the behavior of this device microstructure, for operation around 2.25 MHz, with unimodal behavior and low levels of mechanical cross-coupling predicted. Furthermore, the application of hexagonal array elements enables the array aperture to increase by approximately 30%, compared to a conventional orthogonal array matrix and hence will provide enhanced volumetric coverage and SNR. Prototype array configurations demonstrate good corroboration of the theoretically predicted mechanical cross-coupling between adjacent array elements (approx23 dB).

  17. Calabi-Yau geometry and electrons on 2d lattices

    NASA Astrophysics Data System (ADS)

    Hatsuda, Yasuyuki; Sugimoto, Yuji; Xu, Zhaojie

    2017-04-01

    The B-model approach of topological string theory leads to difference equations by quantizing algebraic mirror curves. It is known that these quantum mechanical systems are solved by the refined topological strings. Recently, it was pointed out that the quantum eigenvalue problem for a particular Calabi-Yau manifold, known as local F0 , is closely related to the Hofstadter problem for electrons on a two-dimensional square lattice. In this paper, we generalize this idea to a more complicated Calabi-Yau manifold. We find that the local B3 geometry, which is a three-point blow-up of local P2 , is associated with electrons on a triangular lattice. This correspondence allows us to use known results in condensed matter physics to investigate the quantum geometry of the toric Calabi-Yau manifold.

  18. An effective structure prediction method for layered materials based on 2D particle swarm optimization algorithm.

    PubMed

    Wang, Yanchao; Miao, Maosheng; Lv, Jian; Zhu, Li; Yin, Ketao; Liu, Hanyu; Ma, Yanming

    2012-12-14

    A structure prediction method for layered materials based on two-dimensional (2D) particle swarm optimization algorithm is developed. The relaxation of atoms in the perpendicular direction within a given range is allowed. Additional techniques including structural similarity determination, symmetry constraint enforcement, and discretization of structure constructions based on space gridding are implemented and demonstrated to significantly improve the global structural search efficiency. Our method is successful in predicting the structures of known 2D materials, including single layer and multi-layer graphene, 2D boron nitride (BN) compounds, and some quasi-2D group 6 metals(VIB) chalcogenides. Furthermore, by use of this method, we predict a new family of mono-layered boron nitride structures with different chemical compositions. The first-principles electronic structure calculations reveal that the band gap of these N-rich BN systems can be tuned from 5.40 eV to 2.20 eV by adjusting the composition.

  19. Measurement of electrostatic potential variations between 2D materials using low-energy electron microscopy

    NASA Astrophysics Data System (ADS)

    de La Barrera, Sergio; Mende, Patrick; Li, Jun; Feenstra, Randall; Lin, Yu-Chuan; Robinson, Joshua; Vishwanath, Suresh; Xing, Huili

    Among the many properties that evolve as isolated 2D materials are brought together to form a heterostructure, rearrangement of charges between layers due to unintentional doping results in dipole fields at the interface, which critically affect the electronic properties of the structure. Here we report a method for directly measuring work function differences, and hence electrostatic potential variations, across the surface of 2D materials and heterostructures thereof using low energy electron microscopy (LEEM). Study of MoSe2 grown by molecular beam epitaxy on epitaxial graphene on SiC with LEEM reveals a large work function difference between the MoSe2 and the graphene, indicating charge transfer between the layers and a subsequent dipole layer. In addition to quantifying dipole effects between transition metal dichalcogenides and graphene, direct imaging of the surface, diffraction information, and the spectroscopic dependence of electron reflectivity will be discussed. This work was supported in part by the Center for Low Energy Systems Technology (LEAST), one of the six SRC STARnet Centers, sponsored by MARCO and DARPA.

  20. Lipid-gramicidin interactions: dynamic structure of the boundary lipid by 2D-ELDOR.

    PubMed

    Costa-Filho, Antonio J; Crepeau, Richard H; Borbat, Petr P; Ge, Mingtao; Freed, Jack H

    2003-05-01

    The use of 2D-electron-electron double resonance (2D-ELDOR) for the characterization of the boundary lipid in membrane vesicles of DPPC and gramicidin A' (GA) is reported. We show that 2D-ELDOR, with its enhanced spectral resolution to dynamic structure as compared with continuous-wave electron spin resonance, provides a reliable and useful way of studying lipid-protein interactions. The 2D-ELDOR spectra of the end-chain spin label 16-PC in DPPC/GA vesicles is composed of two components, which are assigned to the bulk lipids (with sharp auto peaks and crosspeaks) and to the boundary lipids (with broad auto peaks). Their distinction is clearest for higher temperatures and higher GA concentrations. The quantitative analysis of these spectra shows relatively faster motions and very low ordering for the end chain of the bulk lipids, whereas the boundary lipids show very high "y-ordering" and slower motions. The y-ordering represents a dynamic bending at the end of the boundary lipid acyl chain, which can then coat the GA molecules. These results are consistent with the previous studies by Ge and Freed (1999) using continuous-wave electron spin resonance, thereby supporting their model for GA aggregation and H(II) phase formation for high GA concentrations. Improved instrumental and simulation methods have been employed.

  1. Ferroelectricity, Antiferroelectricity and Ultrathin 2D Electron/Hole Gas in Multifunctional Monolayer MXene.

    PubMed

    Chandrasekaran, Anand; Mishra, Avanish; Singh, Abhishek Kumar

    2017-04-04

    Presence of ferroelectric polarization in 2D materials is extremely rare due to the effect of the surface depolarizing field. Here, we use first-principles calculations to show the largest out-of-plane polarization observed in a monolayer in functionalized MXenes (Sc2CO2). The switching of polarization in this new class of ferroelectric materials occurs through an previously unknown intermediate antiferroelectric structure thus establishing three states for applications in low-dimensional non-volatile memory. We show that the armchair domain-interface acts as an 1D metallic nanowire separating two insulating domains. In the case of the van-der-Waals bilayer we observe, interestingly, the presence of an ultrathin 2D electron/hole gas (2DEG) on the top/bottom layers, respectively, due to the redistrubution of charge carriers. The 2DEG is non-degenerate due to spin-orbit-coupling, thus paving the way for spin-orbitronic devices. The coexistence of ferroelectricity, antiferroelectricity, 2DEG and spin-orbit splitting in this system suggests that such 2D polar materials possess high potential for device application in a multitude of fields ranging from nanoelectronics to photovoltaics.

  2. Re Doping in 2D Transition Metal Dichalcogenides as a New Route to Tailor Structural Phases and Induced Magnetism.

    PubMed

    Kochat, Vidya; Apte, Amey; Hachtel, Jordan A; Kumazoe, Hiroyuki; Krishnamoorthy, Aravind; Susarla, Sandhya; Idrobo, Juan Carlos; Shimojo, Fuyuki; Vashishta, Priya; Kalia, Rajiv; Nakano, Aiichiro; Tiwary, Chandra Sekhar; Ajayan, Pulickel M

    2017-10-09

    Alloying in 2D results in the development of new, diverse, and versatile systems with prospects in bandgap engineering, catalysis, and energy storage. Tailoring structural phase transitions using alloying is a novel idea with implications in designing all 2D device architecture as the structural phases in 2D materials such as transition metal dichalcogenides are correlated with electronic phases. Here, this study develops a new growth strategy employing chemical vapor deposition to grow monolayer 2D alloys of Re-doped MoSe2 with show composition tunable structural phase variations. The compositions where the phase transition is observed agree well with the theoretical predictions for these 2D systems. It is also shown that in addition to the predicted new electronic phases, these systems also provide opportunities to study novel phenomena such as magnetism which broadens the range of their applications. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Fabrication of 2D and 3D photonic structures using laser lithography

    NASA Astrophysics Data System (ADS)

    Gaso, P.; Jandura, D.; Pudis, D.

    2016-12-01

    In this paper we demonstrate possibilities of three-dimensional (3D) printing technology based on two photon polymerization. We used three-dimensional dip-in direct-laser-writing (DLW) optical lithography to fabricate 2D and 3D optical structures for optoelectronics and for optical sensing applications. DLW lithography allows us use a non conventional way how to couple light into the waveguide structure. We prepared ring resonator and we investigated its transmission spectral characteristic. We present 3D inverse opal structure from its design to printing and scanning electron microscope (SEM) imaging. Finally, SEM images of some prepared photonic crystal structures were performed.

  4. Dual-mode operation of 2D material-base hot electron transistors

    NASA Astrophysics Data System (ADS)

    Lan, Yann-Wen; Torres, Carlos M., Jr.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  5. Dual-mode operation of 2D material-base hot electron transistors.

    PubMed

    Lan, Yann-Wen; Torres, Carlos M; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R; Lerner, Mitchell B; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L

    2016-09-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications.

  6. Dual-mode operation of 2D material-base hot electron transistors

    PubMed Central

    Lan, Yann-Wen; Torres, Jr., Carlos M.; Zhu, Xiaodan; Qasem, Hussam; Adleman, James R.; Lerner, Mitchell B.; Tsai, Shin-Hung; Shi, Yumeng; Li, Lain-Jong; Yeh, Wen-Kuan; Wang, Kang L.

    2016-01-01

    Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary for the typical unipolar hot-electron transistor behavior. Here we demonstrate a novel functionality, specifically a dual-mode operation, in our 2D material-base hot electron transistors (e.g. with either graphene or MoS2 in the base region) with the application of a negative collector-base potential (VCB < 0). That is, our 2D material-base hot electron transistors can operate in either a hot-electron or a reverse-current dominating mode depending upon the particular polarity of VCB. Furthermore, these devices operate at room temperature and their current gains can be dynamically tuned by varying VCB. We anticipate our multi-functional dual-mode transistors will pave the way towards the realization of novel flexible 2D material-based high-density and low-energy hot-carrier electronic applications. PMID:27581550

  7. Investigation of fast particle driven instabilities by 2D electron cyclotron emission imaging on ASDEX Upgrade

    NASA Astrophysics Data System (ADS)

    Classen, I. G. J.; Lauber, Ph; Curran, D.; Boom, J. E.; Tobias, B. J.; Domier, C. W.; Luhmann, N. C., Jr.; Park, H. K.; Garcia Munoz, M.; Geiger, B.; Maraschek, M.; Van Zeeland, M. A.; da Graça, S.; ASDEX Upgrade Team

    2011-12-01

    Detailed measurements of the 2D mode structure of Alfvén instabilities in the current ramp-up phase of neutral beam heated discharges were performed on ASDEX Upgrade, using the electron cyclotron emission imaging (ECEI) diagnostic. This paper focuses on the observation of reversed shear Alfvén eigenmodes (RSAEs) and bursting modes that, with the use of the information from ECEI, have been identified as beta-induced Alfvén eigenmodes (BAEs). Both RSAEs with first and second radial harmonic mode structures were observed. Calculations with the linear gyro-kinetic code LIGKA revealed that the ratio of the damping rates and the frequency difference between the first and second harmonic modes strongly depended on the shape of the q-profile. The bursting character of the BAE type modes, which were radially localized to rational q surfaces, was observed to sensitively depend on the plasma parameters, ranging from strongly bursting to almost steady state.

  8. Enhancement of low-energy electron emission in 2D radioactive films

    NASA Astrophysics Data System (ADS)

    Pronschinske, Alex; Pedevilla, Philipp; Murphy, Colin J.; Lewis, Emily A.; Lucci, Felicia R.; Brown, Garth; Pappas, George; Michaelides, Angelos; Sykes, E. Charles H.

    2015-09-01

    High-energy radiation has been used for decades; however, the role of low-energy electrons created during irradiation has only recently begun to be appreciated. Low-energy electrons are the most important component of radiation damage in biological environments because they have subcellular ranges, interact destructively with chemical bonds, and are the most abundant product of ionizing particles in tissue. However, methods for generating them locally without external stimulation do not exist. Here, we synthesize one-atom-thick films of the radioactive isotope 125I on gold that are stable under ambient conditions. Scanning tunnelling microscopy, supported by electronic structure simulations, allows us to directly observe nuclear transmutation of individual 125I atoms into 125Te, and explain the surprising stability of the 2D film as it underwent radioactive decay. The metal interface geometry induces a 600% amplification of low-energy electron emission (<10 eV; ref. ) compared with atomic 125I. This enhancement of biologically active low-energy electrons might offer a new direction for highly targeted nanoparticle therapies.

  9. Enhancement of low-energy electron emission in 2D radioactive films.

    PubMed

    Pronschinske, Alex; Pedevilla, Philipp; Murphy, Colin J; Lewis, Emily A; Lucci, Felicia R; Brown, Garth; Pappas, George; Michaelides, Angelos; Sykes, E Charles H

    2015-09-01

    High-energy radiation has been used for decades; however, the role of low-energy electrons created during irradiation has only recently begun to be appreciated. Low-energy electrons are the most important component of radiation damage in biological environments because they have subcellular ranges, interact destructively with chemical bonds, and are the most abundant product of ionizing particles in tissue. However, methods for generating them locally without external stimulation do not exist. Here, we synthesize one-atom-thick films of the radioactive isotope (125)I on gold that are stable under ambient conditions. Scanning tunnelling microscopy, supported by electronic structure simulations, allows us to directly observe nuclear transmutation of individual (125)I atoms into (125)Te, and explain the surprising stability of the 2D film as it underwent radioactive decay. The metal interface geometry induces a 600% amplification of low-energy electron emission (<10 eV; ref. ) compared with atomic (125)I. This enhancement of biologically active low-energy electrons might offer a new direction for highly targeted nanoparticle therapies.

  10. 2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe

    SciTech Connect

    Chen, Y. H.; Yang, X. Y.; Lin, C. E-mail: cjxiao@pku.edu.cn; Wang, X. G.; Xiao, C. J. E-mail: cjxiao@pku.edu.cn; Wang, L.; Xu, M.

    2014-11-15

    A new concept of Heavy Ion Beam Probe (HIBP) diagnostic has been proposed, of which the key is to replace the electrostatic accelerator of traditional HIBP by a laser-driven ion accelerator. Due to the large energy spread of ions, the laser-accelerated HIBP can measure the two-dimensional (2D) electron density profile of tokamak plasma. In a preliminary simulation, a 2D density profile was reconstructed with a spatial resolution of about 2 cm, and with the error below 15% in the core region. Diagnostics of 2D density fluctuation is also discussed.

  11. Two-dimensional B-C-O alloys: a promising class of 2D materials for electronic devices.

    PubMed

    Zhou, Si; Zhao, Jijun

    2016-04-28

    Graphene, a superior 2D material with high carrier mobility, has limited application in electronic devices due to zero band gap. In this regard, boron and nitrogen atoms have been integrated into the graphene lattice to fabricate 2D semiconducting heterostructures. It is an intriguing question whether oxygen can, as a replacement of nitrogen, enter the sp2 honeycomb lattice and form stable B-C-O monolayer structures. Here we explore the atomic structures, energetic and thermodynamic stability, and electronic properties of various 2D B-C-O alloys using first-principles calculations. Our results show that oxygen can be stably incorporated into the graphene lattice by bonding with boron. The B and O species favor forming alternate patterns into the chain- or ring-like structures embedded in the pristine graphene regions. These B-C-O hybrid sheets can be either metals or semiconductors depending on the B : O ratio. The semiconducting (B2O)nCm and (B6O3)nCm phases exist under the B- and O-rich conditions, and possess a tunable band gap of 1.0-3.8 eV and high carrier mobility, retaining ∼1000 cm2 V(-1) s(-1) even for half coverage of B and O atoms. These B-C-O alloys form a new class of 2D materials that are promising candidates for high-speed electronic devices.

  12. Electron-impact dissociative excitation and ionization of N{sub 2}D{sup +}

    SciTech Connect

    Fogle, M.; Bahati, E. M.; Bannister, M. E.; Deng, S. H. M.; Vane, C. R.; Thomas, R. D.; Zhaunerchyk, V.

    2011-09-15

    Absolute cross sections for electron-impact dissociation of N{sub 2}D{sup +} producing N{sub 2}{sup +}, ND{sup +}, and N{sup +} ion fragments were measured in the 5- to 100-eV range using a crossed electron-ion beams technique. In the 5- to 20-eV region, in which dissociative excitation (DE) is the principal contributing mechanism, N{sub 2}{sup +} production dominates. The N{sub 2}{sup +} + D dissociation channel shows a large resonant-like structure in the DE cross section, as observed previously in electron impact dissociation of triatomic dihydride species [M. Fogle, E. M. Bahati, M. E. Bannister, S. H. M. Deng, C. R. Vane, R. D. Thomas, and V. Zhaunerchyk, Phys. Rev. A 82, 042720 (2010)]. In the dissociative ionization (DI) region, 20- to 100-eV, N{sub 2}{sup +}, ND{sup +}, and N{sup +} ion fragment production are comparable. The observance of the ND{sup +} and N{sup +} ion fragments indicate breaking of the N - N bond along certain dissociation channels.

  13. 2D positive streamer modelling in NTP air under extreme pulse fronts. What about runaway electrons?

    NASA Astrophysics Data System (ADS)

    Marode, E.; Dessante, Ph; Tardiveau, P.

    2016-12-01

    Using a 2D model, an attempt is made to understand the properties and aspects of a diffuse discharge, appearing in a positive point-to-plane gap submitted to very high voltage pulses. After presenting the model, comparisons between the computed low and high pulse heights of 10 kV and 50 kV, respectively, will be shown and analysed. A streamer ionising wave is still formed, but its role in ionising a region of low field is replaced by the role of providing a plasma within which the electrons will benefit from the presence of a high electrical field meant to induce strong electron collision activities. A comparison between the aspect of the computed and experimental discharge carried out in the same conditions at 50 kV will be presented, which seems to be in agreement with the diffuse aspect. Although the difference in order of magnitude of the speed of development and the height of the current must be underlined, similarities between the structures of both situations will, however, be recognised. A high probability of obtaining highly energetic electrons and runaways (RAEs) will also be derived following a simple approach.

  14. Electron-impact dissociative excitation and ionization of N2D+

    SciTech Connect

    FogleJr, Michael R; Bahati Musafiri, Eric; Bannister, Mark E; Deng, Shihu; Vane, C Randy; Thomas, R. D.; Zhaunerchyk, Vitali

    2011-01-01

    Absolute cross sections for electron-impact dissociation of N{sub 2}D{sub +} producing N{sub 2}{sub +}, ND{sub +}, and N{sub +} ion fragments were measured in the 5- to 100-eV range using a crossed electron-ion beams technique. In the 5- to 20-eV region, in which dissociative excitation (DE) is the principal contributing mechanism, N{sub 2}{sub +} production dominates. The N{sub 2}{sub +} + D dissociation channel shows a large resonant-like structure in the DE cross section, as observed previously in electron impact dissociation of triatomic dihydride species [ M. Fogle, E. M. Bahati, M. E. Bannister, S. H. M. Deng, C. R. Vane, R. D. Thomas and V. Zhaunerchyk Phys. Rev. A 82 042720 (2010)]. In the dissociative ionization (DI) region, 20- to 100-eV, N{sub 2}{sub +}, ND{sub +}, and N{sub +} ion fragment production are comparable. The observance of the ND{sub +} and N{sub +} ion fragments indicate breaking of the N - N bond along certain dissociation channels.

  15. Design of 2D chitosan scaffolds via electrochemical structuring

    PubMed Central

    Altomare, Lina; Guglielmo, Elena; Varoni, Elena Maria; Bertoldi, Serena; Cochis, Andrea; Rimondini, Lia; De Nardo, Luigi

    2014-01-01

    Chitosan (CS) is a versatile biopolymer whose morphological and chemico-physical properties can be designed for a variety of biomedical applications. Taking advantage of its electrolytic nature, cathodic polarization allows CS deposition on electrically conductive substrates, resulting in thin porous structures with tunable morphology. Here we propose an easy method to obtain CS membranes with highly oriented micro-channels for tissue engineering applications, relying on simple control of process parameters and cathodic substrate geometry.   Cathodic deposition was performed on two different aluminum grids in galvanostatic conditions at 6.25 mA cm−2 from CS solution [1g L−1] in acetic acid (pH 3.5). Self-standing thin scaffolds were cross linked either with genipin or epichlorohydrin, weighted, and observed by optical and electron microscopy. Swelling properties at pH 5 and pH 7.4 have been also investigated and tensile tests performed on swollen samples at room temperature. Finally, direct and indirect assays have been performed to evaluate the cytotoxicity at 24 and 72 h. Thin scaffolds with two different oriented porosities (1000µm and 500µm) have been successfully fabricated by electrochemical techniques. Both cross-linking agents did not affected the mechanical properties and cytocompatibility of the resulting structures. Depending on the pH, these structures show interesting swelling properties that can be exploited for drug delivery systems. Moreover, thanks to the possibility of controlling the porosity and the micro-channel orientation, they should be used for the regeneration of tissues requiring a preferential cells orientation, e.g., cardiac patches or ligament regeneration. PMID:25093705

  16. 2D reentrant auxetic structures of graphene/CNT networks for omnidirectionally stretchable supercapacitors.

    PubMed

    Kim, Byoung Soo; Lee, Kangsuk; Kang, Seulki; Lee, Soyeon; Pyo, Jun Beom; Choi, In Suk; Char, Kookheon; Park, Jong Hyuk; Lee, Sang-Soo; Lee, Jonghwi; Son, Jeong Gon

    2017-09-14

    Stretchable energy storage systems are essential for the realization of implantable and epidermal electronics. However, high-performance stretchable supercapacitors have received less attention because currently available processing techniques and material structures are too limited to overcome the trade-off relationship among electrical conductivity, ion-accessible surface area, and stretchability of electrodes. Herein, we introduce novel 2D reentrant cellular structures of porous graphene/CNT networks for omnidirectionally stretchable supercapacitor electrodes. Reentrant structures, with inwardly protruded frameworks in porous networks, were fabricated by the radial compression of vertically aligned honeycomb-like rGO/CNT networks, which were prepared by a directional crystallization method. Unlike typical porous graphene structures, the reentrant structure provided structure-assisted stretchability, such as accordion and origami structures, to otherwise unstretchable materials. The 2D reentrant structures of graphene/CNT networks maintained excellent electrical conductivities under biaxial stretching conditions and showed a slightly negative or near-zero Poisson's ratio over a wide strain range because of their structural uniqueness. For practical applications, we fabricated all-solid-state supercapacitors based on 2D auxetic structures. A radial compression process up to 1/10(th) densified the electrode, significantly increasing the areal and volumetric capacitances of the electrodes. Additionally, vertically aligned graphene/CNT networks provided a plentiful surface area and induced sufficient ion transport pathways for the electrodes. Therefore, they exhibited high gravimetric and areal capacitance values of 152.4 F g(-1) and 2.9 F cm(-2), respectively, and had an excellent retention ratio of 88% under a biaxial strain of 100%. Auxetic cellular and vertically aligned structures provide a new strategy for the preparation of robust platforms for stretchable

  17. Pulsed Electrically Detected Magnetic Resonance of 2D Electrons in a Si/SiGe Quantum Well

    NASA Astrophysics Data System (ADS)

    Tyryshkin, Alexei; Lyon, Stephen; Jantsch, Wolfgang; Schaffler, Friedrich

    2005-03-01

    We have developed a new method of pulsed EDMR (Electrically Detected Magnetic Resonance) and applied it to measure spin relaxation times of 2D electrons in a Si/SiGe quantum well. The method is based on spin-dependent transport in the 2D channel: Conduction electrons scatter off each other, and their scattering cross section depends on the relative orientation of their spins [1]. The initial, thermal polarization of 2D electron spins (at H=350 mT and T=4 K) is altered by applying the resonant 10 GHz microwave pulses. A change in the spin polarization results in a variation of the device conductivity (˜10-4), and its recovery back to the thermal equilibrium is measured after the microwave pulse. The recovery time measures the spin relaxation, and we find T1 = 1.4 μs for 2D electrons in a modulation-doped Si quantum well, the same time as we measure with conventional pulsed spin resonance. This new pulsed EDMR method will allow the measurement of T1 and T2 on small semiconductor structures with sensitivity down to a few spins, possibly a single spin. [1] Ghosh and Silsbee, Phys. Rev. B 42, 12508(1992).

  18. Oscillations of light absorption in 2D macroporous silicon structures with surface nanocoatings

    NASA Astrophysics Data System (ADS)

    Karachevtseva, L.; Kuchmii, S.; Lytvynenko, O.; Sizov, F.; Stronska, O.; Stroyuk, A.

    2011-02-01

    We investigated the near-IR light absorption oscillations in 2D macroporous silicon structures with microporous silicon layers and CdTe, ZnO surface nanocrystals. The electro-optical effect was taken into account within the strong electric field approximation. Well-separated oscillations were observed in the spectral ranges of the surface bonds of macroporous silicon structures with surface nanocrystals. The model of the resonant electron scattering on impurity states in electric field of heterojunction “silicon-nanocoating” on macropore surface as well as realization of Wannier-Stark effect on the randomly distributed surface bonds were considered. The Wannier-Stark ladders are not broken by impurities because of the longer scattering lifetime as compared with the period of electron oscillations in an external electric field, in all spectral regions considered for macroporous silicon structures with CdTe and ZnO surface nanocrystals.

  19. Experiments on 2D Vortex Patterns with a Photoinjected Pure Electron Plasma

    NASA Astrophysics Data System (ADS)

    Durkin, Daniel; Fajans, Joel

    1998-11-01

    The equations governing the evolution of a strongly magnetized pure electron plasma are analogous to those of an ideal 2D fluid; plasma density is analogous to fluid vorticity. Therefore, we can study vortex dynamics with pure electron plasmas. We generate our electron plasma with a photocathode electron source. The photocathode provides greater control over the initial profile than previous thermionic sources and allows us to create complicated initial density distributions, corresponding to complicated vorticity distributions in a fluid. Results on the stability of 2D vortex patterns will be presented: 1) The stability of N vortices arranged in a ring; 2) The stability of N vortices arranged in a ring with a central vortex; 3) The stability of more complicated vortex patterns.(http://socrates.berkeley.edu/ )fajans/

  20. Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

    DOE PAGES

    Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; ...

    2016-02-24

    In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M3C2 and M4C3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX]nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M'2M"C2 and M'2M"2C3 – where M' and M" are two different early transition metals, such as Mo, Cr, Ta, Nb, V, andmore » Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo2TiC2 and Mo2Ti2C3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC]nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti3C2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo2TiC2Tx exhibits semiconductor-like transport behavior, while Ti3C2Tx is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in which semiconducting properties are required.« less

  1. Control of electronic properties of 2D carbides (MXenes) by manipulating their transition metal layers

    SciTech Connect

    Anasori, Babak; Shi, Chenyang; Moon, Eun Ju; Xie, Yu; Voigt, Cooper A.; Kent, Paul R. C.; May, Steven J.; Billinge, Simon J. L.; Barsoum, Michel W.; Gogotsi, Yury

    2016-02-24

    In this paper, a transition from metallic to semiconducting-like behavior has been demonstrated in two-dimensional (2D) transition metal carbides by replacing titanium with molybdenum in the outer transition metal (M) layers of M3C2 and M4C3 MXenes. The MXene structure consists of n + 1 layers of near-close packed M layers with C or N occupying the octahedral site between them in an [MX]nM arrangement. Recently, two new families of ordered 2D double transition metal carbides MXenes were discovered, M'2M"C2 and M'2M"2C3 – where M' and M" are two different early transition metals, such as Mo, Cr, Ta, Nb, V, and Ti. The M' atoms only occupy the outer layers and the M" atoms fill the middle layers. In other words, M' atomic layers sandwich the middle M"–C layers. Using X-ray atomic pair distribution function (PDF) analysis on Mo2TiC2 and Mo2Ti2C3 MXenes, we present the first quantitative analysis of structures of these novel materials and experimentally confirm that Mo atoms are in the outer layers of the [MC]nM structures. The electronic properties of these Mo-containing MXenes are compared with their Ti3C2 counterparts, and are found to be no longer metallic-like conductors; instead the resistance increases mildly with decreasing temperatures. Density functional theory (DFT) calculations suggest that OH terminated Mo–Ti MXenes are semiconductors with narrow band gaps. Measurements of the temperature dependencies of conductivities and magnetoresistances have confirmed that Mo2TiC2Tx exhibits semiconductor-like transport behavior, while Ti3C2Tx is a metal. Finally, this finding opens new avenues for the control of the electronic and optical applications of MXenes and for exploring new applications, in

  2. Transverse instability of electron plasma waves study via direct 2 +2D Vlasov simulations

    NASA Astrophysics Data System (ADS)

    Silantyev, Denis; Lushnikov, Pavel; Rose, Harvey

    2016-10-01

    Transverse instability can be viewed as initial stage of electron plasma waves (EPWs) filamentation. We performed direct 2 +2D Vlasov-Poisson simulations of collisionless plasma to systematically study the growth rates of oblique modes of finite-amplitude EPW depending on its amplitude, wavenumber, angle of the oblique mode wavevector relative to the EPW's wavevector and the configuration of the trapped electrons in the EPW. Simulation results are compared to the predictions of theoretical models.

  3. Tight-Binding Approximations in 1D and 2D Coupled-Cavity Photonic Crystal Structures

    NASA Astrophysics Data System (ADS)

    Day, Nicole C. L.

    Light confinement and controlling an optical field has numerous applications in the field of telecommunications for optical signals processing. When the wavelength of the electromagnetic field is on the order of the period of a photonic microstructure, the field undergoes reflection, refraction, and coherent scattering. This produces photonic bandgaps, forbidden frequency regions or spectral stop bands where light cannot exist. Dielectric perturbations that break the perfect periodicity of these structures produce what is analogous to an impurity state in the bandgap of a semiconductor. The defect modes that exist at discrete frequencies within the photonic bandgap are spatially localized about the cavity-defects in the photonic crystal. In this thesis the properties of two tight-binding approximations (TBAs) are investigated in one-dimensional and two-dimensional coupled-cavity photonic crystal structures. We require an efficient and simple approach that ensures the continuity of the electromagnetic field across dielectric interfaces in complex structures. In this thesis we develop E- and D-TBAs to calculate the modes in finite 1D and 2D two-defect coupled-cavity photonic crystal structures. In the E- and D-TBAs we expand the coupled-cavity [vector electron]-modes in terms of the individual [vector electron]- and [vector D meson]-modes, respectively. We investigate the dependence of the defect modes, their frequencies and quality factors on the relative placement of the defects in the photonic crystal structures. We then elucidate the differences between the two TBA formulations, and describe the conditions under which these formulations may be more robust when encountering a dielectric perturbation. Our 1D analysis showed that the 1D modes were sensitive to the structure geometry. The antisymmetric D mode amplitudes show that the D. TBA did not capture the correct (tangential [vector electron]-field) boundary conditions. However, the D-TBA did not yield

  4. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    PubMed Central

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-01-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers. PMID:27403589

  5. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers.

    PubMed

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-07-12

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.

  6. Bonding-restricted structure search for novel 2D materials with dispersed C2 dimers

    NASA Astrophysics Data System (ADS)

    Zhang, Cunzhi; Zhang, Shunhong; Wang, Qian

    2016-07-01

    Currently, the available algorithms for unbiased structure searches are primarily atom-based, where atoms are manipulated as the elementary units, and energy is used as the target function without any restrictions on the bonding of atoms. In fact, in many cases such as nanostructure-assembled materials, the structural units are nanoclusters. We report a study of a bonding-restricted structure search method based on the particle swarm optimization (PSO) for finding the stable structures of two-dimensional (2D) materials containing dispersed C2 dimers rather than individual C atoms. The C2 dimer can be considered as a prototype of nanoclusters. Taking Si-C, B-C and Ti-C systems as test cases, our method combined with density functional theory and phonon calculations uncover new ground state geometrical structures for SiC2, Si2C2, BC2, B2C2, TiC2, and Ti2C2 sheets and their low-lying energy allotropes, as well as their electronic structures. Equally important, this method can be applied to other complex systems even containing f elements and other molecular dimers such as S2, N2, B2 and Si2, where the complex orbital orientations require extensive search for finding the optimal orientations to maximize the bonding with the dimers, predicting new 2D materials beyond MXenes (a family of transition metal carbides or nitrides) and dichalcogenide monolayers.

  7. 2-D simulation of a waveguide free electron laser having a helical undulator

    SciTech Connect

    Kim, S.K.; Lee, B.C.; Jeong, Y.U.

    1995-12-31

    We have developed a 2-D simulation code for the calculation of output power from an FEL oscillator having a helical undulator and a cylindrical waveguide. In the simulation, the current and the energy of the electron beam is 2 A and 400 keV, respectively. The parameters of the permanent-magnet helical undulator are : period = 32 mm, number of periods = 20, magnetic field = 1.3 kG. The gain per pass is 10 and the output power is calculated to be higher than 10 kW The results of the 2-D simulation are compared with those of 1-D simulation.

  8. Dynamic molecular structure and phase diagram of DPPC-cholesterol binary mixtures: a 2D-ELDOR study.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Freed, Jack H

    2007-09-27

    This paper is an application of 2D electron-electron double resonance (2D-ELDOR) with the "full Sc- method" to study model membranes. We obtain and confirm the phase diagram of 1,2-dipalmitoyl-sn-glycerophosphatidylcholine (DPPC)-cholesterol binary mixtures versus temperature and provide quantitative descriptions for its dynamic molecular structure using 2D-ELDOR at the Ku band. The spectra from the end-chain 16-PC spin label in multilamellar phospholipid vesicles are obtained for cholesterol molar concentrations ranging from 0 to 50% and from 25 to 60 degrees C. This phase diagram consists of liquid-ordered, liquid-disordered, and gel phases and phase coexistence regions. The phase diagram is carefully examined according to the spectroscopic evidence, and the rigorous interpretation for the line shape changes. We show that the 2D-ELDOR spectra differ markedly with variation in the composition. The extensive line shape changes in the 2D-plus-mixing-time representation provide useful information to define and characterize the membrane phases with respect to their dynamic molecular structures and to determine the phase boundaries. The homogeneous T2's are extracted from the pure absorption spectra and are used to further distinguish the membrane phases. These results show 2D-ELDOR to be naturally suitable for probing and reporting the dynamic structures of microdomains in model membrane systems and, moreover, providing a very detailed picture of their molecular dynamic structure, especially with the aid of the "full Sc- method".

  9. Effect of organic chain length on structure, electronic composition, lattice potential energy, and optical properties of 2D hybrid perovskites [(NH3)(CH2) n (NH3)]CuCl4, n = 2-9

    NASA Astrophysics Data System (ADS)

    Abdel-Aal, Seham K.; Kocher-Oberlehner, Gudrun; Ionov, Andrei; Mozhchil, R. N.

    2017-08-01

    Diammonium series of Cu hybrid perovskites of the formula [(NH3)(CH2) n (NH3)]CuCl4, n = 6-9 are prepared from an ethanolic solution in stoichiometric ratio 1:1 (organic/inorganic). Formation of the desired material was confirmed and characterizes by microchemical analysis, FTIR, XRD and XPS spectra. The structure consists of corner-shared octahedron [CuCl4]2- anion alternative by organic [(NH3)(CH2) n (NH3)]2+ cations. The organic and inorganic layers form infinite 2D sheet that are connected via NH···Cl hydrogen bond. The calculated lattice potential energy U pot (kJ/mol) and lattice enthalpy Δ H L (kJ/mol) are inversely proportional to the molecular volume V m (nm3) and organic chain length. Optical properties show strong absorption peak at UV-visible range. The band gap energy calculated using Kubelka-Munk equation shows the decrease of the energy gap as organic chain length increases. The introduction of bromide ion to [(NH3)(CH2) n (NH3)]CuCl2Br2 denoted 2C7CuCB hybrid has shifted the energy gap to lower values from 2.6 to 2.18 eV for 2C7CuCl (yellow) and 2C7CuCB (brown), respectively, at the same organic chain length. All elements of [(NH3)(CH2)9(NH3)]CuCl4 and [(NH3)(CH2)7(NH3)]CuCl2Br2 were found in XPS spectra, as well as valence band spectra.

  10. Tunneling current bistability of correlated 2D electron-hole layers

    NASA Astrophysics Data System (ADS)

    Parlangeli, A.; Christianen, P. C. M.; Geim, A. K.; Maan, J. C.; Eaves, L.; Main, P. C.; Henini, M.

    1998-12-01

    We study the low-temperature vertical tunneling current (TC) of a system of coupled 2D electron and hole gases (2DEG, 2DHG) of equal density realized in a single-barrier GaAs/AlAs/GaAs p-i-n heterostructure under conditions of forward bias. The density can be tuned by external voltage and the in-plane inter-particle distance can be made comparable to the layer separation (25 nm), the GaAs Bohr radius (12 nm), and the magnetic length for a perpendicular magnetic field B=10 T. We observe a discontinuous bistability in the I- V characteristic at T ⩽ 300 mK, which has been never observed in n-type structures, and which is strongly enhanced for B=10 T. Out of the bistability, the current at fixed external voltage is observed to be exactly periodic in the inverse magnetic field for the high current states (HCS), while the 1/ B oscillations of the low current states (LCS) are clearly phase shifted. The transition is found to be discontinuous both in the phase and in the period (i.e. density) in the region of bistability. We interpret the bistability as a phase transition between states of inter-layer correlated exciton-like states (LCS) and the two uncoupled free-carrier 2DEG and 2DHG (HCS) in our bilayer system.

  11. Novel electronic properties of 2D MoS2/TiO2 van der Waals heterostructure

    NASA Astrophysics Data System (ADS)

    Li, Yanhua; Cai, Congzhong; Sun, Baoguang; Chen, Jianjun

    2017-10-01

    Two different exchange-correlation functionals with van der Waals correction are employed to investigate the electronic properties of 2D {{MoS}}2/{{TiO}}2 heterostructure with a special configuration of Moiré pattern. It is found that, for both PBE and HSE06 functional, the new van der Waals heterostructure that consists of monolayer {{MoS}}2 and 2D lepidocrocite-type {{TiO}}2 exhibits a type-II band alignment between the {{MoS}}2 and {{TiO}}2 layers, and the electronic structures of monolayer {{MoS}}2 and 2D {{TiO}}2 are well retained in their respective layers due to a weak interlaminar coupling, which indicates that the new heterostructure may have potential applications in many fields such as photocatalysis, photoelectric devices, solar cells, etc. Furthermore, a novel design scheme based on the new 2D {{MoS}}2/{{TiO}}2 van der Waals heterostructure is proposed for a solar cell, and the corresponding power conversion efficiency is estimated to be about 8%.

  12. Spin relaxations in 2D electron gas determined by the memory in the carrier dynamics.

    NASA Astrophysics Data System (ADS)

    Sherman, Eugene; Glazov, Mikhail

    2007-03-01

    The effects of long memory, in carrier dynamics in a magnetic field, on spin polarization evolution in 2D electron gas are investigated qualitatively and quantitatively. As examples we consider (i) systems with random Rashba-type SO coupling and (ii) quantum wells with rigid short-range scatterers (antidotes) and regular Dresselhaus SO coupling. In both cases the spin dynamics is strongly non-Markovian. In the system with the random SO coupling the time dependence of the spin polarization shows Gaussian rather than exponential behavior with the cusps corresponding to the electron revolutions. The relaxation speeds up with the increase of the magnetic field. In the system with antidotes scattering, the spin polarization shows a long-tail behavior with the relaxation rate determined by inelastic electron-phonon and electron-electron collisions and demonstrates unusual field dependence.

  13. Boussinesq Modeling for Inlets, Harbors, and Structures (Bouss-2D)

    DTIC Science & Technology

    2015-10-30

    coastal structures, levees, groins, beaches, dunes and barrier islands ; breaking-induced nearshore circulation; wave- current interaction at channels...around artificial islands ; and impacts of vessel-generated waves on coastal shorelines and river banks. BMT can represent wave reflection

  14. Coulomb scattering in a 2D interacting electron gas and production of EPR pairs.

    PubMed

    Saraga, D S; Altshuler, B L; Loss, Daniel; Westervelt, R M

    2004-06-18

    We propose a setup to generate nonlocal spin Einstein-Podolsky-Rosen pairs via pair collisions in a 2D interacting electron gas, based on constructive two-particle interference in the spin-singlet channel at the pi/2 scattering angle. We calculate the scattering amplitude via the Bethe-Salpeter equation in the ladder approximation and small r(s) limit and find that the Fermi sea leads to a substantial renormalization of the bare scattering process. From the scattering length, we estimate the current of spin-entangled electrons and show that it is within experimental reach.

  15. Collective excitations in a 2D electron system: Canted field geometry

    SciTech Connect

    Marinescu, D.C.; Quinn, J.J.; Wojs, A.

    1998-06-01

    The authors investigate the charge and spin collective modes induced in a 2D electron gas by a weak electromagnetic perturbation in the presence of a dc magnetic field which makes an angle {theta} with the electron layer. The excitation frequencies are determined within the framework of the Landau-Silin theory of Fermi liquids by solving a semi-classical equation for transport in the self-consistent electromagnetic field associated with particle density fluctuations. The quasiparticle interaction is spin dependent and varies parametrically with the degree of spin polarization. In the long wavelength limit, they obtain analytic results for the frequencies of the collective modes as functions of {theta}.

  16. Metal Decoration Effects on the Gas-Sensing Properties of 2D Hybrid-Structures on Flexible Substrates

    PubMed Central

    Cho, Byungjin; Yoon, Jongwon; Lim, Sung Kwan; Kim, Ah Ra; Choi, Sun-Young; Kim, Dong-Ho; Lee, Kyu Hwan; Lee, Byoung Hun; Ko, Heung Cho; Hahm, Myung Gwan

    2015-01-01

    We have investigated the effects of metal decoration on the gas-sensing properties of a device with two-dimensional (2D) molybdenum disulfide (MoS2) flake channels and graphene electrodes. The 2D hybrid-structure device sensitively detected NO2 gas molecules (>1.2 ppm) as well as NH3 (>10 ppm). Metal nanoparticles (NPs) could tune the electronic properties of the 2D graphene/MoS2 device, increasing sensitivity to a specific gas molecule. For instance, palladium NPs accumulate hole carriers of graphene/MoS2, electronically sensitizing NH3 gas molecules. Contrarily, aluminum NPs deplete hole carriers, enhancing NO2 sensitivity. The synergistic combination of metal NPs and 2D hybrid layers could be also applied to a flexible gas sensor. There was no serious degradation in the sensing performance of metal-decorated MoS2 flexible devices before/after 5000 bending cycles. Thus, highly sensitive and endurable gas sensor could be achieved through the metal-decorated 2D hybrid-structure, offering a useful route to wearable electronic sensing platforms. PMID:26404279

  17. Offline estimation of 2 D crystal lattice parameters by processing the electron diffraction image

    NASA Astrophysics Data System (ADS)

    Haq, Nuhman ul; Hayat, Khizar; Madani, Sajjad A.; Iqbal, Yaseen

    2012-03-01

    Electron diffraction provides useful information about the internal composition of materials and has been in the use of material scientists for more than fifty years. In order to extract useful information from offline diffraction images, they are manually analyzed by using some photometric technique. Manual analysis is however a cumbersome, laborious and difficult task. To reduce the labors of material scientists one can employ image processing techniques to perform automated analysis, due to the well established popularity and clear evidence of widely used image processing techniques. In this work an image processing technique is being proposed for the extraction of 2D unit cell information from diffraction images on one hand and finding the 2D point group contained by the lattices on the other. The technique employs a morphological shrinking operation to find the center of each spot in the underlying preprocessed diffraction image. This is followed by the extraction of eight points with reference to the spot produced by the transmitted electron beam. The resultant nine points, i.e. the extracted eight plus the reference spot generated by the transmitted electron beam, are then subjected to symmetry operations, rotation symmetry and mirror symmetry, in polar coordinate system, to classify the point group of the lattice produced by the electron diffraction. One of the difficult task, even in manual analysis, is to ascertain the exact spot where the transmitted electron beam hit the sample at the time of realization of the image. This has been accurately and intuitively done by employing the notion that the transmitted spot must have greater number of pixels, with the highest gray value, among the diffracted spots. The proposed strategy has been applied to a sample set of various images and the results shows that the technique is efficient in determining the unit cell in 2D and classify the point group with good accuracy.

  18. Speckle lithography for fabricating Gaussian, quasi-random 2D structures and black silicon structures.

    PubMed

    Bingi, Jayachandra; Murukeshan, Vadakke Matham

    2015-12-18

    Laser speckle pattern is a granular structure formed due to random coherent wavelet interference and generally considered as noise in optical systems including photolithography. Contrary to this, in this paper, we use the speckle pattern to generate predictable and controlled Gaussian random structures and quasi-random structures photo-lithographically. The random structures made using this proposed speckle lithography technique are quantified based on speckle statistics, radial distribution function (RDF) and fast Fourier transform (FFT). The control over the speckle size, density and speckle clustering facilitates the successful fabrication of black silicon with different surface structures. The controllability and tunability of randomness makes this technique a robust method for fabricating predictable 2D Gaussian random structures and black silicon structures. These structures can enhance the light trapping significantly in solar cells and hence enable improved energy harvesting. Further, this technique can enable efficient fabrication of disordered photonic structures and random media based devices.

  19. Speckle lithography for fabricating Gaussian, quasi-random 2D structures and black silicon structures

    PubMed Central

    Bingi, Jayachandra; Murukeshan, Vadakke Matham

    2015-01-01

    Laser speckle pattern is a granular structure formed due to random coherent wavelet interference and generally considered as noise in optical systems including photolithography. Contrary to this, in this paper, we use the speckle pattern to generate predictable and controlled Gaussian random structures and quasi-random structures photo-lithographically. The random structures made using this proposed speckle lithography technique are quantified based on speckle statistics, radial distribution function (RDF) and fast Fourier transform (FFT). The control over the speckle size, density and speckle clustering facilitates the successful fabrication of black silicon with different surface structures. The controllability and tunability of randomness makes this technique a robust method for fabricating predictable 2D Gaussian random structures and black silicon structures. These structures can enhance the light trapping significantly in solar cells and hence enable improved energy harvesting. Further, this technique can enable efficient fabrication of disordered photonic structures and random media based devices. PMID:26679513

  20. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    NASA Astrophysics Data System (ADS)

    Mashtalir, O.; Lukatskaya, M. R.; Kolesnikov, A. I.; Raymundo-Piñero, E.; Naguib, M.; Barsoum, M. W.; Gogotsi, Y.

    2016-04-01

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g-1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm. Electronic supplementary information (ESI) available: Characterization methods, additional XRD patterns (Fig. S1) and INS spectra (Fig. S2-S4). See DOI: 10.1039/c6nr01462c

  1. Structure of the novel ternary hydrides Li4Tt2D (Tt=Si and Ge).

    PubMed

    Wu, Hui; Hartman, Michael R; Udovic, Terrence J; Rush, John J; Zhou, Wei; Bowman, Robert C; Vajo, John J

    2007-02-01

    The crystal structures of newly discovered Li4Ge2D and Li4Si2D ternary phases were solved by direct methods using neutron powder diffraction data. Both structures can be described using a Cmmm orthorhombic cell with all hydrogen atoms occupying Li6-octahedral interstices. The overall crystal structure and the geometry of these interstices are compared with those of other related phases, and the stabilization of this novel class of ternary hydrides is discussed.

  2. Beyond Graphene: Advanced 2D Electronic and Optoelectronic Crystals and Devices for Next Generation Applications

    DTIC Science & Technology

    2015-06-25

    important features of single layered metal disulfides MS2 (M = W or Mo) such as dislocations , defects and grain boundaries were also be investigated by...first- principles calculation. Dr. Yakobson from Rice University predicted the structures of dislocations and assemblies into grain boundaries in 2D...metal disulfides materials and h-BN. They found the in-plane and through-layer relaxation results in dislocation cores and concentration of elements

  3. Electron Microscopy: From 2D to 3D Images with Special Reference to Muscle

    PubMed Central

    2015-01-01

    This is a brief and necessarily very sketchy presentation of the evolution in electron microscopy (EM) imaging that was driven by the necessity of extracting 3-D views from the essentially 2-D images produced by the electron beam. The lens design of standard transmission electron microscope has not been greatly altered since its inception. However, technical advances in specimen preparation, image collection and analysis gradually induced an astounding progression over a period of about 50 years. From the early images that redefined tissues, cell and cell organelles at the sub-micron level, to the current nano-resolution reconstructions of organelles and proteins the step is very large. The review is written by an investigator who has followed the field for many years, but often from the sidelines, and with great wonder. Her interest in muscle ultrastructure colors the writing. More specific detailed reviews are presented in this issue. PMID:26913146

  4. Topologic connection between 2-D layered structures and 3-D diamond structures for conventional semiconductors

    PubMed Central

    Wang, Jianwei; Zhang, Yong

    2016-01-01

    When coming to identify new 2D materials, our intuition would suggest us to look from layered instead of 3D materials. However, since graphite can be hypothetically derived from diamond by stretching it along its [111] axis, many 3D materials can also potentially be explored as new candidates for 2D materials. Using a density functional theory, we perform a systematic study over the common Group IV, III–V, and II–VI semiconductors along different deformation paths to reveal new structures that are topologically connected to but distinctly different from the 3D parent structure. Specifically, we explore two major phase transition paths, originating respectively from wurtzite and NiAs structure, by applying compressive and tensile strain along the symmetry axis, and calculating the total energy changes to search for potential metastable states, as well as phonon spectra to examine the structural stability. Each path is found to further split into two branches under tensile strain–low buckled and high buckled structures, which respectively lead to a low and high buckled monolayer structure. Most promising new layered or planar structures identified include BeO, GaN, and ZnO on the tensile strain side, Ge, Si, and GaP on the compressive strain side. PMID:27090430

  5. Topologic connection between 2-D layered structures and 3-D diamond structures for conventional semiconductors

    NASA Astrophysics Data System (ADS)

    Wang, Jianwei; Zhang, Yong

    2016-04-01

    When coming to identify new 2D materials, our intuition would suggest us to look from layered instead of 3D materials. However, since graphite can be hypothetically derived from diamond by stretching it along its [111] axis, many 3D materials can also potentially be explored as new candidates for 2D materials. Using a density functional theory, we perform a systematic study over the common Group IV, III-V, and II-VI semiconductors along different deformation paths to reveal new structures that are topologically connected to but distinctly different from the 3D parent structure. Specifically, we explore two major phase transition paths, originating respectively from wurtzite and NiAs structure, by applying compressive and tensile strain along the symmetry axis, and calculating the total energy changes to search for potential metastable states, as well as phonon spectra to examine the structural stability. Each path is found to further split into two branches under tensile strain-low buckled and high buckled structures, which respectively lead to a low and high buckled monolayer structure. Most promising new layered or planar structures identified include BeO, GaN, and ZnO on the tensile strain side, Ge, Si, and GaP on the compressive strain side.

  6. 2d axisymmetric "beam-bulk" modelling of the generation of runaway electrons by streamers.

    NASA Astrophysics Data System (ADS)

    Chanrion, Olivier; Bonaventura, Zdenek; Bourdon, Anne; Neubert, Torsten

    2017-04-01

    We present results from a 2d axisymmetric numerical model of streamers based on a "beam-bulk" approach which describes cold electrons with a fluid model and high energy electrons with a particle model. The interest is motivated by the generation of runaway electrons by streamers which may participate in the recently observed TGFs and which challenge the modelling. Runaway electrons are known to be generated from streamers when the electric field in its negative tip is of sufficient magnitude. After overtaking the streamer tip, runaways can affect the streamer propagation ahead and may produce high energy photons through the bremsstrahlung process. In conventional model of streamers, the evolution of the streamer discharge is mostly governed by cold electrons. By including runaway electrons, we model their production, their impact on the discharge propagation and can address their role in TGFs. Results of streamer propagation in leader electric field show that the runaway electrons accelerate the streamers, reduce the electric field in its tip and enlarge its radius by pre-ionizing the gas ahead. We observed that if we increase the electric field, the discharge is getting more diffuse, with a pattern driven by the increase in runaway induced ionisation.

  7. The separation of overlapping transitions in β-carotene with broadband 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Calhoun, Tessa R.; Davis, Jeffrey A.; Graham, Matthew W.; Fleming, Graham R.

    2012-01-01

    Broadband 2D electronic spectroscopy is applied to β-carotene, revealing new insight into the excited state dynamics of carotenoids by exploring the full energetic range encompassing the S0→S2 and S1→S1n transitions at 77 K. Multiple signals are observed in the regime associated with the proposed S∗ state and isolated through separate analysis of rephasing and nonrephasing contributions. Peaks in rephasing pathways display dynamic lineshapes characteristic of coupling to high energy vibrational modes, and simulation with a simple model supports their assignment to impulsive stimulated Raman scattering. A signal persisting beyond 10 ps in the nonrephasing spectra is still under investigation.

  8. Optical and Electronic Properties of 2D Graphitic Carbon-Nitride and Carbon Enriched Alloys

    NASA Astrophysics Data System (ADS)

    Therrien, Joel; Li, Yancen; Schmidt, Daniel; Masaki, Michael; Syed, Abdulmannan

    The two-dimensional form of graphitic carbon-nitride (gCN) has been successfully synthesized using a simple CVD process. In it's pure form, the carbon to nitrogen ratio is 0.75. By adding a carbon bearing gas to the growth environment, the C/N ratio can be increased, ultimately reaching the pure carbon form: graphene. Unlike attempts at making a 2D alloy system out of BCN, the CN system does not suffer from phase segregation and thus forms a homogeneous alloy. The synthesis approach and electronic and optical properties will be presented for the pure gCN and a selection of alloy compositions.

  9. Broadband 2D electronic spectroscopy reveals a carotenoid dark state in purple bacteria.

    PubMed

    Ostroumov, Evgeny E; Mulvaney, Rachel M; Cogdell, Richard J; Scholes, Gregory D

    2013-04-05

    Although the energy transfer processes in natural light-harvesting systems have been intensively studied for the past 60 years, certain details of the underlying mechanisms remain controversial. We performed broadband two-dimensional (2D) electronic spectroscopy measurements on light-harvesting proteins from purple bacteria and isolated carotenoids in order to characterize in more detail the excited-state manifold of carotenoids, which channel energy to bacteriochlorophyll molecules. The data revealed a well-resolved signal consistent with a previously postulated carotenoid dark state, the presence of which was confirmed by global kinetic analysis. The results point to this state's role in mediating energy flow from carotenoid to bacteriochlorophyll.

  10. Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

    NASA Technical Reports Server (NTRS)

    Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

    2009-01-01

    A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

  11. Hall-Effect Thruster Simulations with 2-D Electron Transport and Hydrodynamic Ions

    NASA Technical Reports Server (NTRS)

    Mikellides, Ioannis G.; Katz, Ira; Hofer, Richard H.; Goebel, Dan M.

    2009-01-01

    A computational approach that has been used extensively in the last two decades for Hall thruster simulations is to solve a diffusion equation and energy conservation law for the electrons in a direction that is perpendicular to the magnetic field, and use discrete-particle methods for the heavy species. This "hybrid" approach has allowed for the capture of bulk plasma phenomena inside these thrusters within reasonable computational times. Regions of the thruster with complex magnetic field arrangements (such as those near eroded walls and magnets) and/or reduced Hall parameter (such as those near the anode and the cathode plume) challenge the validity of the quasi-one-dimensional assumption for the electrons. This paper reports on the development of a computer code that solves numerically the 2-D axisymmetric vector form of Ohm's law, with no assumptions regarding the rate of electron transport in the parallel and perpendicular directions. The numerical challenges related to the large disparity of the transport coefficients in the two directions are met by solving the equations in a computational mesh that is aligned with the magnetic field. The fully-2D approach allows for a large physical domain that extends more than five times the thruster channel length in the axial direction, and encompasses the cathode boundary. Ions are treated as an isothermal, cold (relative to the electrons) fluid, accounting for charge-exchange and multiple-ionization collisions in the momentum equations. A first series of simulations of two Hall thrusters, namely the BPT-4000 and a 6-kW laboratory thruster, quantifies the significance of ion diffusion in the anode region and the importance of the extended physical domain on studies related to the impact of the transport coefficients on the electron flow field.

  12. Dosimetric verification of gated delivery of electron beams using a 2D ion chamber array.

    PubMed

    Yoganathan, S A; Das, K J Maria; Raj, D Gowtham; Kumar, Shaleen

    2015-01-01

    The purpose of this study was to compare the dosimetric characteristics; such as beam output, symmetry and flatness between gated and non-gated electron beams. Dosimetric verification of gated delivery was carried for all electron beams available on Varian CL 2100CD medical linear accelerator. Measurements were conducted for three dose rates (100 MU/min, 300 MU/min and 600 MU/min) and two respiratory motions (breathing period of 4s and 8s). Real-time position management (RPM) system was used for the gated deliveries. Flatness and symmetry values were measured using Imatrixx 2D ion chamber array device and the beam output was measured using plane parallel ion chamber. These detector systems were placed over QUASAR motion platform which was programmed to simulate the respiratory motion of target. The dosimetric characteristics of gated deliveries were compared with non-gated deliveries. The flatness and symmetry of all the evaluated electron energies did not differ by more than 0.7 % with respect to corresponding non-gated deliveries. The beam output variation of gated electron beam was less than 0.6 % for all electron energies except for 16 MeV (1.4 %). Based on the results of this study, it can be concluded that Varian CL2100 CD is well suitable for gated delivery of non-dynamic electron beams.

  13. Dosimetric verification of gated delivery of electron beams using a 2D ion chamber array

    PubMed Central

    Yoganathan, S. A.; Das, K. J. Maria; Raj, D. Gowtham; Kumar, Shaleen

    2015-01-01

    The purpose of this study was to compare the dosimetric characteristics; such as beam output, symmetry and flatness between gated and non-gated electron beams. Dosimetric verification of gated delivery was carried for all electron beams available on Varian CL 2100CD medical linear accelerator. Measurements were conducted for three dose rates (100 MU/min, 300 MU/min and 600 MU/min) and two respiratory motions (breathing period of 4s and 8s). Real-time position management (RPM) system was used for the gated deliveries. Flatness and symmetry values were measured using Imatrixx 2D ion chamber array device and the beam output was measured using plane parallel ion chamber. These detector systems were placed over QUASAR motion platform which was programmed to simulate the respiratory motion of target. The dosimetric characteristics of gated deliveries were compared with non-gated deliveries. The flatness and symmetry of all the evaluated electron energies did not differ by more than 0.7 % with respect to corresponding non-gated deliveries. The beam output variation of gated electron beam was less than 0.6 % for all electron energies except for 16 MeV (1.4 %). Based on the results of this study, it can be concluded that Varian CL2100 CD is well suitable for gated delivery of non-dynamic electron beams. PMID:26170552

  14. Insulating Behavior of Strongly Interacting 2D Electrons in Si MOSFETs

    NASA Astrophysics Data System (ADS)

    Li, Shiqi; Sarachik, M. P.; Kravchenko, S. V.

    Experiments on low disorder strongly-interacting 2D electron systems have shown that in the absence of a magnetic field, the temperature dependence of the resistivity changes from metallic-like to insulating behavior as the electron density ns is reduced below a critical density nc. It has been shown that a metal to insulator transition also occurs in these systems for fixed electron density ns at a critical (density-dependent) in-plane magnetic field which results in complete spin polarization of the electrons. Here we report measurements of the temperature dependence of the resistivity in a high mobility Si-MOSFET sample, where in one case the insulating state is reached by reducing the electron density in zero field, and in the other case it is reached by ''quenching'' the metallic behavior with an in-plane field of 5 T. We find that the resistivity of the insulating state behaves in very similar ways for both cases, exhibiting Efros-Shklovskii variable range hopping regardless of the degree of polarization of the electron spins Work at CCNY is supported by NSF Grant DMR-1309008 and BSF Grant 2012210; for S. K. by NSF Grant DMR-1309337 and BSF Grant 2012210.

  15. Optical Signatures from Magnetic 2-D Electron Gases in High Magnetic Fields to 60 Tesla

    SciTech Connect

    Crooker, S.A.; Kikkawa, J.M.; Awschalom, D.D.; Smorchikova, I.P.; Samarth, N.

    1998-11-08

    We present experiments in the 60 Tesla Long-Pulse magnet at the Los Alamos National High Magnetic Field Lab (NHMFL) focusing on the high-field, low temperature photoluminescence (PL) from modulation-doped ZnSe/Zn(Cd,Mn)Se single quantum wells. High-speed charge-coupled array detectors and the long (2 second) duration of the magnet pulse permit continuous acquisition of optical spectra throughout a single magnet shot. High-field PL studies of the magnetic 2D electron gases at temperatures down to 350mK reveal clear intensity oscillations corresponding to integer quantum Hall filling factors, from which we determine the density of the electron gas. At very high magnetic fields, steps in the PL energy are observed which correspond to the partial unlocking of antiferromagnetically bound pairs of Mn2+ spins.

  16. Electronic and optical properties of strained graphene and other strained 2D materials: a review

    NASA Astrophysics Data System (ADS)

    Naumis, Gerardo G.; Barraza-Lopez, Salvador; Oliva-Leyva, Maurice; Terrones, Humberto

    2017-09-01

    This review presents the state of the art in strain and ripple-induced effects on the electronic and optical properties of graphene. It starts by providing the crystallographic description of mechanical deformations, as well as the diffraction pattern for different kinds of representative deformation fields. Then, the focus turns to the unique elastic properties of graphene, and to how strain is produced. Thereafter, various theoretical approaches used to study the electronic properties of strained graphene are examined, discussing the advantages of each. These approaches provide a platform to describe exotic properties, such as a fractal spectrum related with quasicrystals, a mixed Dirac–Schrödinger behavior, emergent gravity, topological insulator states, in molecular graphene and other 2D discrete lattices. The physical consequences of strain on the optical properties are reviewed next, with a focus on the Raman spectrum. At the same time, recent advances to tune the optical conductivity of graphene by strain engineering are given, which open new paths in device applications. Finally, a brief review of strain effects in multilayered graphene and other promising 2D materials like silicene and materials based on other group-IV elements, phosphorene, dichalcogenide- and monochalcogenide-monolayers is presented, with a brief discussion of interplays among strain, thermal effects, and illumination in the latter material family.

  17. Design of the 2D electron cyclotron emission imaging instrument for the J-TEXT tokamak

    NASA Astrophysics Data System (ADS)

    Pan, X. M.; Yang, Z. J.; Ma, X. D.; Zhu, Y. L.; Luhmann, N. C.; Domier, C. W.; Ruan, B. W.; Zhuang, G.

    2016-11-01

    A new 2D Electron Cyclotron Emission Imaging (ECEI) diagnostic is being developed for the J-TEXT tokamak. It will provide the 2D electron temperature information with high spatial, temporal, and temperature resolution. The new ECEI instrument is being designed to support fundamental physics investigations on J-TEXT including MHD, disruption prediction, and energy transport. The diagnostic contains two dual dipole antenna arrays corresponding to F band (90-140 GHz) and W band (75-110 GHz), respectively, and comprises a total of 256 channels. The system can observe the same magnetic surface at both the high field side and low field side simultaneously. An advanced optical system has been designed which permits the two arrays to focus on a wide continuous region or two radially separate regions with high imaging spatial resolution. It also incorporates excellent field curvature correction with field curvature adjustment lenses. An overview of the diagnostic and the technical progress including the new remote control technique are presented.

  18. Design of the 2D electron cyclotron emission imaging instrument for the J-TEXT tokamak

    SciTech Connect

    Pan, X. M.; Yang, Z. J. Ma, X. D.; Ruan, B. W.; Zhuang, G.; Zhu, Y. L.; Luhmann, N. C.; Domier, C. W.

    2016-11-15

    A new 2D Electron Cyclotron Emission Imaging (ECEI) diagnostic is being developed for the J-TEXT tokamak. It will provide the 2D electron temperature information with high spatial, temporal, and temperature resolution. The new ECEI instrument is being designed to support fundamental physics investigations on J-TEXT including MHD, disruption prediction, and energy transport. The diagnostic contains two dual dipole antenna arrays corresponding to F band (90-140 GHz) and W band (75-110 GHz), respectively, and comprises a total of 256 channels. The system can observe the same magnetic surface at both the high field side and low field side simultaneously. An advanced optical system has been designed which permits the two arrays to focus on a wide continuous region or two radially separate regions with high imaging spatial resolution. It also incorporates excellent field curvature correction with field curvature adjustment lenses. An overview of the diagnostic and the technical progress including the new remote control technique are presented.

  19. Design of the 2D electron cyclotron emission imaging instrument for the J-TEXT tokamak.

    PubMed

    Pan, X M; Yang, Z J; Ma, X D; Zhu, Y L; Luhmann, N C; Domier, C W; Ruan, B W; Zhuang, G

    2016-11-01

    A new 2D Electron Cyclotron Emission Imaging (ECEI) diagnostic is being developed for the J-TEXT tokamak. It will provide the 2D electron temperature information with high spatial, temporal, and temperature resolution. The new ECEI instrument is being designed to support fundamental physics investigations on J-TEXT including MHD, disruption prediction, and energy transport. The diagnostic contains two dual dipole antenna arrays corresponding to F band (90-140 GHz) and W band (75-110 GHz), respectively, and comprises a total of 256 channels. The system can observe the same magnetic surface at both the high field side and low field side simultaneously. An advanced optical system has been designed which permits the two arrays to focus on a wide continuous region or two radially separate regions with high imaging spatial resolution. It also incorporates excellent field curvature correction with field curvature adjustment lenses. An overview of the diagnostic and the technical progress including the new remote control technique are presented.

  20. Protein structure validation and identification from unassigned residual dipolar coupling data using 2D-PDPA.

    PubMed

    Fahim, Arjang; Mukhopadhyay, Rishi; Yandle, Ryan; Prestegard, James H; Valafar, Homayoun

    2013-08-22

    More than 90% of protein structures submitted to the PDB each year are homologous to some previously characterized protein structure. The extensive resources that are required for structural characterization of proteins can be justified for the 10% of the novel structures, but not for the remaining 90%. This report presents the 2D-PDPA method, which utilizes unassigned residual dipolar coupling in order to address the economics of structure determination of routine proteins by reducing the data acquisition and processing time. 2D-PDPA has been demonstrated to successfully identify the correct structure of an array of proteins that range from 46 to 445 residues in size from a library of 619 decoy structures by using unassigned simulated RDC data. When using experimental data, 2D-PDPA successfully identified the correct NMR structures from the same library of decoy structures. In addition, the most homologous X-ray structure was also identified as the second best structural candidate. Finally, success of 2D-PDPA in identifying and evaluating the most appropriate structure from a set of computationally predicted structures in the case of a previously uncharacterized protein Pf2048.1 has been demonstrated. This protein exhibits less than 20% sequence identity to any protein with known structure and therefore presents a compelling and practical application of our proposed work.

  1. Protein Structure Validation and Identification from Unassigned Residual Dipolar Coupling Data Using 2D-PDPA

    PubMed Central

    Fahim, Arjang; Mukhopadhyay, Rishi; Yandle, Ryan; Prestegard, James H.; Valafar, Homayoun

    2014-01-01

    More than 90% of protein structures submitted to the PDB each year are homologous to some previously characterized protein structure. The extensive resources that are required for structural characterization of proteins can be justified for the 10% of the novel structures, but not for the remaining 90%. This report presents the 2D-PDPA method, which utilizes unassigned residual dipolar coupling in order to address the economics of structure determination of routine proteins by reducing the data acquisition and processing time. 2D-PDPA has been demonstrated to successfully identify the correct structure of an array of proteins that range from 46 to 445 residues in size from a library of 619 decoy structures by using unassigned simulated RDC data. When using experimental data, 2D-PDPA successfully identified the correct NMR structures from the same library of decoy structures. In addition, the most homologous X-ray structure was also identified as the second best structural candidate. Finally, success of 2D-PDPA in identifying and evaluating the most appropriate structure from a set of computationally predicted structures in the case of a previously uncharacterized protein Pf2048.1 has been demonstrated. This protein exhibits less than 20% sequence identity to any protein with known structure and therefore presents a compelling and practical application of our proposed work. PMID:23973992

  2. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    NASA Astrophysics Data System (ADS)

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-01

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]rad H2O (1), [M(norfH)(bpdc)]rad H2O (M=Cd (2) and Mn (3)), [Mn2(cfH)(odpa)(H2O)3]rad 0.5H2O (4), [Co2(norfH)(bpta)(μ2-H2O)(H2O)2]rad H2O (5) and [Co3(saraH)2(Hbpta)2(H2O)4]rad 9H2O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4'-biphenyldicarboxylate, odpa=4,4'-oxydiphthalate, bpta=3,3',4,4'-biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {M(COO)}nn+ chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed.

  3. Magnetic field dependent zero-bias diffusive anomaly in Pb-oxide- n-InAs structures: Coexistence of 2D and 3D states

    NASA Astrophysics Data System (ADS)

    Minkov, G. M.; Germanenko, A. V.; Negachev, S. A.; Rut, O. E.; Sukhorukov, Eugene V.

    1998-12-01

    The results of experimental and theoretical studies of zero-bias anomaly (ZBA) in the Pb-oxide- n-InAs tunnel structures in magnetic field up to 6 T are presented. A specific feature of the structures is a coexistence of the 2D and 3D states at the Fermi energy near the semiconductor surface. Experimentally observed magnetic field dependence of the amplitude of ZBA for different orientations of the magnetic field is in agreement with the proposed theoretical model. According to this model, electrons tunnel into 2D states, and move diffusively in 2D layer, whereas the main contribution to the screening comes from 3D electrons.

  4. Photo-and Electro-Switchable 1/2D Diffractive Structures Exploiting Soft-Matter

    DTIC Science & Technology

    2013-05-01

    again, a linear red-shift is observed, which clearly confirms that the behavior reported in Figure 4a is due to a photo - thermal mechanism; furthermore...AFRL-AFOSR-UK-TR-2013-0022 Photo -and Electro-Switchable 1/2D Diffractive Structures Exploiting Soft-Matter Luciano De Sio...TYPE Final Report 3. DATES COVERED (From – To) 14 November 2011 – 13 November 2012 4. TITLE AND SUBTITLE Photo -and Electro-Switchable 1/2D

  5. Laser fabrication of 2D and 3D metal nanoparticle structures and arrays.

    PubMed

    Kuznetsov, A I; Kiyan, R; Chichkov, B N

    2010-09-27

    A novel method for fabrication of 2D and 3D metal nanoparticle structures and arrays is proposed. This technique is based on laser-induced transfer of molten metal nanodroplets from thin metal films. Metal nanoparticles are produced by solidification of these nanodroplets. The size of the transferred nanoparticles can be controllably changed in the range from 180 nm to 1500 nm. Several examples of complex 2D and 3D microstructures generated form gold nanoparticles are demonstrated.

  6. A series of 2D metal-quinolone complexes: Syntheses, structures, and physical properties

    SciTech Connect

    He, Jiang-Hong; Xiao, Dong-Rong; Chen, Hai-Yan; Sun, Dian-Zhen; Yan, Shi-Wei; Wang, Xin; Ye, Zhong-Li; Luo, Qun-Li; Wang, En-Bo

    2013-02-15

    Six novel 2D metal-quinolone complexes, namely [Cd(cfH)(bpdc)]{center_dot}H{sub 2}O (1), [M(norfH)(bpdc)]{center_dot}H{sub 2}O (M=Cd (2) and Mn (3)), [Mn{sub 2}(cfH)(odpa)(H{sub 2}O){sub 3}]{center_dot}0.5H{sub 2}O (4), [Co{sub 2}(norfH)(bpta)({mu}{sub 2}-H{sub 2}O)(H{sub 2}O){sub 2}]{center_dot}H{sub 2}O (5) and [Co{sub 3}(saraH){sub 2}(Hbpta){sub 2}(H{sub 2}O){sub 4}]{center_dot}9H{sub 2}O (6) (cfH=ciprofloxacin, norfH=norfloxacin, saraH=sarafloxacin, bpdc=4,4 Prime -biphenyldicarboxylate, odpa=4,4 Prime -oxydiphthalate, bpta=3,3 Prime ,4,4 Prime -biphenyltetracarboxylate) have been synthesized and characterized. Compounds 1-3 consist of 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Compounds 4 and 5 display 2D structures based on tetranuclear manganese or cobalt clusters with (3,6)-connected kgd topology. Compound 6 exhibits a 2D bilayer structure, which represents the first example of metal-quinolone complexes with 2D bilayer structure. By inspection of the structures of 1-6, it is believed that the long aromatic polycarboxylate ligands are important for the formation of 2D metal-quinolone complexes. The magnetic properties of compounds 3-6 was studied, indicating the existence of antiferromagnetic interactions. Furthermore, the luminescent properties of compounds 1-2 are discussed. - Graphical abstract: Six novel 2D metal-quinolone complexes have been prepared by self-assemblies of the quinolones and metal salts in the presence of long aromatic polycarboxylates. Highlights: Black-Right-Pointing-Pointer Compounds 1-3 consist of novel 2D arm-shaped layers based on the 1D {l_brace}M(COO){r_brace}{sub n}{sup n+} chains. Black-Right-Pointing-Pointer Compounds 4 and 5 are two novel 2D layers based on tetranuclear Mn or Co clusters with kgd topology. Black-Right-Pointing-Pointer Compound 6 is the first example of metal-quinolone complexes with 2D bilayer structure. Black-Right-Pointing-Pointer Compounds 1-6 represent six unusual

  7. ICF target 2D modeling using Monte Carlo SNB electron thermal transport in DRACO

    NASA Astrophysics Data System (ADS)

    Chenhall, Jeffrey; Cao, Duc; Moses, Gregory

    2016-10-01

    The iSNB (implicit Schurtz Nicolai Busquet multigroup diffusion electron thermal transport method is adapted into a Monte Carlo (MC) transport method to better model angular and long mean free path non-local effects. The MC model was first implemented in the 1D LILAC code to verify consistency with the iSNB model. Implementation of the MC SNB model in the 2D DRACO code enables higher fidelity non-local thermal transport modeling in 2D implosions such as polar drive experiments on NIF. The final step is to optimize the MC model by hybridizing it with a MC version of the iSNB diffusion method. The hybrid method will combine the efficiency of a diffusion method in intermediate mean free path regions with the accuracy of a transport method in long mean free path regions allowing for improved computational efficiency while maintaining accuracy. Work to date on the method will be presented. This work was supported by Sandia National Laboratories and the Univ. of Rochester Laboratory for Laser Energetics.

  8. 2D array of cold-electron nanobolometers with double polarised cross-dipole antennas

    PubMed Central

    2012-01-01

    A novel concept of the two-dimensional (2D) array of cold-electron nanobolometers (CEB) with double polarised cross-dipole antennas is proposed for ultrasensitive multimode measurements. This concept provides a unique opportunity to simultaneously measure both components of an RF signal and to avoid complicated combinations of two schemes for each polarisation. The optimal concept of the CEB includes a superconductor-insulator-normal tunnel junction and an SN Andreev contact, which provides better performance. This concept allows for better matching with the junction gate field-effect transistor (JFET) readout, suppresses charging noise related to the Coulomb blockade due to the small area of tunnel junctions and decreases the volume of a normal absorber for further improvement of the noise performance. The reliability of a 2D array is considerably increased due to the parallel and series connections of many CEBs. Estimations of the CEB noise with JFET readout give an opportunity to realise a noise equivalent power (NEP) that is less than photon noise, specifically, NEP = 4 10−19 W/Hz1/2 at 7 THz for an optical power load of 0.02 fW. PMID:22512950

  9. 2D MEMS scanning for LIDAR with sub-Nyquist sampling, electronics, and measurement procedure

    NASA Astrophysics Data System (ADS)

    Giese, Thorsten; Janes, Joachim

    2015-05-01

    Electrostatic driven 2D MEMS scanners resonantly oscillate in both axes leading to Lissajous trajectories of a digitally modulated laser beam reflected from the micro mirror. A solid angle of about 0.02 is scanned by a 658nm laser beam with a maximum repetition rate of 350MHz digital pulses. Reflected light is detected by an APD with a bandwidth of 80MHz. The phase difference between the scanned laser light and the light reflected from an obstacle is analyzed by sub-Nyquist sampling. The FPGA-based electronics and software for the evaluation of distance and velocity of objects within the scanning range are presented. Furthermore, the measures to optimize the Lidar accuracy of about 1mm and the dynamic range of up to 2m are examined. First measurements demonstrating the capability of the system and the evaluation algorithms are discussed.

  10. Structural dynamics inside a functionalized metal–organic framework probed by ultrafast 2D IR spectroscopy

    DOE PAGES

    Nishida, Jun; Tamimi, Amr; Fei, Honghan; ...

    2014-12-15

    One key property of metal-organic frameworks (MOFs) are their structural elasticity. IHere we show that 2D IR spectroscopy with pulse-shaping techniques can probe the ultrafast structural fluctuations of MOFs. 2D IR data, obtained from a vibrational probe attached to the linkers of UiO-66 MOF in low concentration, revealed that the structural fluctuations have time constants of 7 and 670 ps with no solvent. Filling the MOF pores with dimethylformamide (DMF) slows the structural fluctuations by reducing the ability of the MOF to undergo deformations, and the dynamics of the DMF molecules are also greatly restricted. Finally, methodology advances were requiredmore » to remove the severe light scattering caused by the macroscopic-sized MOF particles, eliminate interfering oscillatory components from the 2D IR data, and address Förster vibrational excitation transfer.« less

  11. Deep structure of Eastern part of Bandung Basin based on 2D resistivity structure

    NASA Astrophysics Data System (ADS)

    Harja, Asep

    2013-09-01

    Bandung basin is an intramontane basin located in West Java, extending from west to east along 35 km and north to south along 15 km distance, with elevation of 660-680 m. The plain in the eastern part is the basin center with lake deposit as primary sediment filling the basin. Investigation of the subsurface structure and thickness of the basin is the main topic in this research. Beside the deeper structure of the basin, the shallow structure is also very important to be revealed since human activities are concentrated in this part. The latter is supposed to explain phenomenon related to the flood and drought that frequently occur in the area. Controlled-source audio-frequency magneto telluric (CSAMT) is a highly effective electromagnetic (EM) method to deploy in this area. Its robustness toward electromagnetic noises related to human and industrial activities particularly in the eastern part of the basin is the strong point of this method. It uses a grounded horizontal electric dipole as artificial source of electromagnetic signal that ensures data with a high signal to noise (S/N) ratio. This method is capable to map subsurface resistivity structure with high sensitivity to resistivity contras and deeper penetration. 1D inversion scheme was used to the far-field component of CSAMT data (plane wave assumption) in order to obtain resistivity cross-sections that are more suitable with the basin's structure complexity. The results show that until the depth of more than 200 m, no high resistivity structure is found. This unlikely indicated the presence of volcanic rocks beneath the area. The subsurface resistivity distribution is dominated by tens of Om, indicating that the basement comprises deep marine sediment. In addition, clay lens are also indicated in the resulting resistivity structure. Based on 2D view of resistivity cross-sections based 1D inverted and 2D inversion, it is found that a low resistivity elongation extends in southeast-northwest direction at

  12. Structure-From-Motion in 3D Space Using 2D Lidars

    PubMed Central

    Choi, Dong-Geol; Bok, Yunsu; Kim, Jun-Sik; Shim, Inwook; Kweon, In So

    2017-01-01

    This paper presents a novel structure-from-motion methodology using 2D lidars (Light Detection And Ranging). In 3D space, 2D lidars do not provide sufficient information for pose estimation. For this reason, additional sensors have been used along with the lidar measurement. In this paper, we use a sensor system that consists of only 2D lidars, without any additional sensors. We propose a new method of estimating both the 6D pose of the system and the surrounding 3D structures. We compute the pose of the system using line segments of scan data and their corresponding planes. After discarding the outliers, both the pose and the 3D structures are refined via nonlinear optimization. Experiments with both synthetic and real data show the accuracy and robustness of the proposed method. PMID:28165372

  13. Deformable 2D-3D registration of vascular structures in a one view scenario.

    PubMed

    Groher, Martin; Zikic, Darko; Navab, Nassir

    2009-06-01

    Alignment of angiographic 3D scans to 2D projections is an important issue for 3D depth perception and navigation during interventions. Currently, in a setting where only one 2D projection is available, methods employing a rigid transformation model present the state of the art for this problem. In this work, we introduce a method capable of deformably registering 3D vessel structures to a respective single projection of the scene. Our approach addresses the inherent ill-posedness of the problem by incorporating a priori knowledge about the vessel structures into the formulation. We minimize the distance between the 2D points and corresponding projected 3D points together with regularization terms encoding the properties of length preservation of vessel structures and smoothness of deformation. We demonstrate the performance and accuracy of the proposed method by quantitative tests on synthetic examples as well as real angiographic scenes.

  14. Beyond Graphene: Electronic and Mechanical Properties of Defective 2-D Materials

    NASA Astrophysics Data System (ADS)

    Terrones, Humberto

    One of the challenges in the production of 2-D materials is the synthesis of defect free systems which can achieve the desired properties for novel applications. However, the reality so far indicates that we need to deal with defective systems and understand their main features in order to perform defect engineering in such a way that we can engineer a new material. In this talk I discuss first, the introduction of defects in a hierarchic way starting from 2-D graphene to form giant Schwarzites or graphene foams, which also can exhibit further defects, thus we can have several levels of defectiveness. In this context, it will be shown that giant Schwarzites, depending on their symmetry, can exhibit Dirac-Fermion behavior and further, possess protected topological states as shown by other authors. Regarding the mechanical properties of these systems, it is possible to tune the Poisson Ratio by the addition of defects, thus shedding light to the explanation of the almost zero Poisson ratios in experimentally obtained graphene foams. Second, the idea of Haeckelites, a planar sp2 graphene-like structure with heptagons and pentagons, can be extended to transition metal dichalcogenides (TMDs) with square and octagonal-like defects, finding semi-metallic behaviors with Dirac-Fermions, and even topological insulating properties. National Science Foundation (EFRI-1433311).

  15. 2D Optical Streaking for Ultra-Short Electron Beam Diagnostics

    SciTech Connect

    Ding, Y.T.; Huang, Z.; Wang, L.; /SLAC

    2011-12-14

    field ionization, which occurs in plasma case, gases species with high field ionization threshold should be considered. For a linear polarized laser, the kick to the ionized electrons depends on the phase of the laser when the electrons are born and the unknown timing jitter between the electron beam and laser beam makes the data analysis very difficult. Here we propose to use a circular polarized laser to do a 2-dimensional (2D) streaking (both x and y) and measure the bunch length from the angular distribution on the screen, where the phase jitter causes only a rotation of the image on the screen without changing of the relative angular distribution. Also we only need to know the laser wavelength for calibration. A similar circular RF deflecting mode was used to measure long bunches. We developed a numerical particle-in-Cell (PIC) code to study the dynamics of ionization electrons with the high energy beam and the laser beam.

  16. Hartree-Fock Solutions of 2d Interacting Tight-Binding Electrons: Mott Properties and Room Temperature Superconductivity Indications

    NASA Astrophysics Data System (ADS)

    Cabo Montes de Oca, A.; March, N. H.; Cabo-Bizet, A.

    2014-12-01

    Former results for a tight-binding (TB) model of CuO planes in La2CuO4 are reinterpreted here to underline their wider implications. It is noted that physical systems being appropriately described by the TB model can exhibit the main strongly correlated electron system (SCES) properties, when they are solved in the HF approximation, by also allowing crystal symmetry breaking effects and noncollinear spin orientations of the HF orbitals. It is argued how a simple 2D square lattice system of Coulomb interacting electrons can exhibit insulator gaps and pseudogap states, and quantum phase transitions as illustrated by the mentioned former works. A discussion is also presented here indicating the possibility of attaining room temperature superconductivity, by means of a surface coating with water molecules of cleaved planes of graphite, being orthogonal to its c-axis. The possibility that 2D arrays of quantum dots can give rise to the same effect is also proposed to consideration. The analysis also furnishes theoretical insight to solve the Mott-Slater debate, at least for the La2CuO4 and TMO band structures. The idea is to apply a properly noncollinear GW scheme to the electronic structure calculation of these materials. The fact is that the GW approach can be viewed as a HF procedure in which the screening polarization is also determined. This directly indicates the possibility of predicting the assumed dielectric constant in the previous works. Thus, the results seem to identify that the main correlation properties in these materials are determined by screening. Finally, the conclusions also seem to be of help for the description of the experimental observations of metal-insulator transitions and Mott properties in atoms trapped in planar photonic lattices.

  17. Influences of Quantum Mechanically Mixed Electronic and Vibrational Pigment States in 2D Electronic Spectra of Photosynthetic Systems: Strong Electronic Coupling Cases

    SciTech Connect

    Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito

    2015-09-07

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures. However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this paper, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300 K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. Finally, the electronic-vibrational quantum mixtures do not

  18. Designing 2D arrays for SHM of planar structures: a review

    NASA Astrophysics Data System (ADS)

    Stepinski, Tadeusz; Ambrozinski, Lukasz; Uhl, Tadeusz

    2013-04-01

    Monitoring structural integrity of large planar structures that aims at detecting and localizing impact or damage at any point of the structure requires normally a relatively dense network of uniformly distributed ultrasonic sensors. 2-D ultrasonic phased arrays, due to their beam-steering capability and all azimuth angle coverage are a very promising tool for structural health monitoring (SHM) of plate-like structures using Lamb waves (LW). Linear phased arrays that have been proposed for that purpose, produce mirrored image characterized by azimuth dependent resolution, which prevents unequivocal damage localization. 2D arrays do not have this drawback and they are even capable of mode selectivity when generating and receiving LWs. Performance of 2D arrays depends on their topology as well as the number of elements (transducers) used and their spacing in terms of wavelength. In this paper we propose a consistent methodology for three-step: theoretical, numerical and experimental investigation of a diversity of 2D array topologies in SHM applications. In the first step, the theoretical evaluation is performed using frequency-dependent structure transfer function (STF). STF that defines linear propagation of different LWs modes through the dispersive medium enables theoretical investigation of the particular array performance for a predefined tone-burst excitation signal. A dedicated software tool has been developed for the numerical evaluation of 2D array directional characteristics (beampattern) in a specific structure. The simulations are performed using local interaction simulation approach (LISA), implemented using NVIDIA CUDA graphical computation unit (GPU), which enables time-efficient 3D simulations of LWs propagation. Beampatterns of a 2D array can be to some extend evaluated analytically and using numerical simulations; in most cases, however, they require experimental verification. Using scanning laser vibrometer is proposed for that purpose, in a setup

  19. Tunneling Between 2D Electrons and Holes in an In-plane Magnetic Field

    NASA Astrophysics Data System (ADS)

    Lin, Y.; Mendez, E. E.; Magno, R.; Bennett, B. R.

    2002-03-01

    We have studied the vertical transport properties of GaSb/AlSb/InAs/AlSb/GaSb (system A) and InAs/AlSb/GaSb/AlSb/InAs (system B) heterostructures in a magnetic field (B<20T) parallel to the interfaces. In these systems, electrons and holes accumulate in the InAs and GaSb regions, respectively, and tunneling between the two gases gives rise to a current-voltage (I-V) characteristic that exhibits negative differential conductance even at T=300K. In both cases, the zero-bias, low-T (1.7K) magnetoconductance showed the signature of tunneling between 2D gases with different carrier densities even though in system A, the holes are barely confined. In contrast, the dependence of the I-V characteristics on magnetic field was quite different. In system A, the observed shift of the peak voltage with field is explained by simple ground-state dispersion curves for electrons and holes. However, this picture cannot explain the appearance (above 5.5T) and field dependence of a secondary peak in system B, or of additional, weaker field-induced features. Their origin may lie in the complexities of highly confined hole states in the central GaSb quantum well.

  20. Tunable electron heating induced giant magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system

    PubMed Central

    Wang, Zhuo; Samaraweera, R. L.; Reichl, C.; Wegscheider, W.; Mani, R. G.

    2016-01-01

    Electron-heating induced by a tunable, supplementary dc-current (Idc) helps to vary the observed magnetoresistance in the high mobility GaAs/AlGaAs 2D electron system. The magnetoresistance at B = 0.3 T is shown to progressively change from positive to negative with increasing Idc, yielding negative giant-magnetoresistance at the lowest temperature and highest Idc. A two-term Drude model successfully fits the data at all Idc and T. The results indicate that carrier heating modifies a conductivity correction σ1, which undergoes sign reversal from positive to negative with increasing Idc, and this is responsible for the observed crossover from positive- to negative- magnetoresistance, respectively, at the highest B. PMID:27924953

  1. Probing the 2-D Kinematic Structure of Early-Type Galaxies Out to 3 Effective Radii

    NASA Astrophysics Data System (ADS)

    Proctor, Robert N.; Forbes, Duncan A.; Romanowsky, Aaron J.; Brodie, Jean P.; Strader, Jay; Spolaor, Max; Trevor Mendel, J.; Spitler, Lee

    2010-06-01

    We detail an innovative new technique for measuring the 2-D velocity moments (rotation velocity, velocity dispersion and Gauss-Hermite coefficients h3 and h4) using spectra from Keck DEIMOS multi-object spectroscopic observations. The data are used to reconstruct 2-D rotation velocity maps. Here we present data for one of five early-type galaxies whose kinematics we have measured out to ~3 effective radii (see [1]). From these data 2D kinematic maps are constructed. We show such analyses can provide significant insights into the global kinematic structure of galaxies, and, in some cases, challenge the accepted morphological classification. Our results are of particular importance to studies which attempt to classify galaxies by their kinematic structure within one effective radius, such as the recent definition of fast- and slow- rotator classes by the SAURON project.

  2. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: Electronic versus vibrational coherence

    SciTech Connect

    Plenio, M. B.; Almeida, J.; Huelga, S. F.

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  3. Origin of long-lived oscillations in 2D-spectra of a quantum vibronic model: electronic versus vibrational coherence.

    PubMed

    Plenio, M B; Almeida, J; Huelga, S F

    2013-12-21

    We demonstrate that the coupling of excitonic and vibrational motion in biological complexes can provide mechanisms to explain the long-lived oscillations that have been obtained in nonlinear spectroscopic signals of different photosynthetic pigment protein complexes and we discuss the contributions of excitonic versus purely vibrational components to these oscillatory features. Considering a dimer model coupled to a structured spectral density we exemplify the fundamental aspects of the electron-phonon dynamics, and by analyzing separately the different contributions to the nonlinear signal, we show that for realistic parameter regimes purely electronic coherence is of the same order as purely vibrational coherence in the electronic ground state. Moreover, we demonstrate how the latter relies upon the excitonic interaction to manifest. These results link recently proposed microscopic, non-equilibrium mechanisms to support long lived coherence at ambient temperatures with actual experimental observations of oscillatory behaviour using 2D photon echo techniques to corroborate the fundamental importance of the interplay of electronic and vibrational degrees of freedom in the dynamics of light harvesting aggregates.

  4. Interferometric 2D Sum Frequency Generation Spectroscopy Reveals Structural Heterogeneity of Catalytic Monolayers on Transparent Materials.

    PubMed

    Vanselous, Heather; Stingel, Ashley M; Petersen, Poul B

    2017-02-16

    Molecular monolayers exhibit structural and dynamical properties that are different from their bulk counterparts due to their interaction with the substrate. Extracting these distinct properties is crucial for a better understanding of processes such as heterogeneous catalysis and interfacial charge transfer. Ultrafast nonlinear spectroscopic techniques such as 2D infrared (2D IR) spectroscopy are powerful tools for understanding molecular dynamics in complex bulk systems. Here, we build on technical advancements in 2D IR and heterodyne-detected sum frequency generation (SFG) spectroscopy to study a CO2 reduction catalyst on nanostructured TiO2 with interferometric 2D SFG spectroscopy. Our method combines phase-stable heterodyne detection employing an external local oscillator with a broad-band pump pulse pair to provide the first high spectral and temporal resolution 2D SFG spectra of a transparent material. We determine the overall molecular orientation of the catalyst and find that there is a static structural heterogeneity reflective of different local environments at the surface.

  5. Oxide 2D electron gases as a route for high carrier densities on (001) Si

    SciTech Connect

    Kornblum, Lior; Jin, Eric N.; Kumah, Divine P.; Walker, Fred J.; Ernst, Alexis T.; Broadbridge, Christine C.; Ahn, Charles H.

    2015-05-18

    Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has the potential to integrate their functionality with semiconductor device technology. We demonstrate 2DEGs on a conventional semiconductor by growing GdTiO{sub 3}-SrTiO{sub 3} on silicon. Structural analysis confirms the epitaxial growth of heterostructures with abrupt interfaces and a high degree of crystallinity. Transport measurements show the conduction to be an interface effect, ∼9 × 10{sup 13} cm{sup −2} electrons per interface. Good agreement is demonstrated between the electronic behavior of structures grown on Si and on an oxide substrate, validating the robustness of this approach to bridge between lab-scale samples to a scalable, technologically relevant materials system.

  6. 2D atomic mapping of oxidation states in transition metal oxides by scanning transmission electron microscopy and electron energy-loss spectroscopy.

    PubMed

    Tan, Haiyan; Turner, Stuart; Yücelen, Emrah; Verbeeck, Jo; Van Tendeloo, Gustaaf

    2011-09-02

    Using a combination of high-angle annular dark-field scanning transmission electron microscopy and atomically resolved electron energy-loss spectroscopy in an aberration-corrected transmission electron microscope we demonstrate the possibility of 2D atom by atom valence mapping in the mixed valence compound Mn3O4. The Mn L(2,3) energy-loss near-edge structures from Mn2+ and Mn3+ cation sites are similar to those of MnO and Mn2O3 references. Comparison with simulations shows that even though a local interpretation is valid here, intermixing of the inelastic signal plays a significant role. This type of experiment should be applicable to challenging topics in materials science, such as the investigation of charge ordering or single atom column oxidation states in, e.g., dislocations.

  7. Destabilization of 2D magnetic current sheets by resonance with bouncing electron - a new theory

    NASA Astrophysics Data System (ADS)

    Fruit, Gabriel; Louarn, Philippe; Tur, Anatoly

    2016-07-01

    In the general context of understanding the possible destabilization of the magnetotail before a substorm, we propose a kinetic model for electromagnetic instabilities in resonant interaction with trapped bouncing electrons. The geometry is clearly 2D and uses Harris sheet profile. Fruit et al. 2013 already used this model to investigate the possibilities of electrostatic instabilities. Tur et al. 2014 generalizes the model for full electromagnetic perturbations. Starting with a modified Harris sheet as equilibrium state, the linearized gyrokinetic Vlasov equation is solved for electromagnetic fluctuations with period of the order of the electron bounce period (a few seconds). The particle motion is restricted to its first Fourier component along the magnetic field and this allows the complete time integration of the non local perturbed distribution functions. The dispersion relation for electromagnetic modes is finally obtained through the quasi neutrality condition and the Ampere's law for the current density. The present talk will focus on the main results of this theory. The electrostatic version of the model may be applied to the near-Earth environment (8-12 R_{E}) where beta is rather low. It is showed that inclusion of bouncing electron motion may enhance strongly the growth rate of the classical drift wave instability. This model could thus explain the generation of strong parallel electric fields in the ionosphere and the formation of aurora beads with wavelength of a few hundreds of km. In the electromagnetic version, it is found that for mildly stretched current sheet (B_{z} > 0.1 B _{lobes}) undamped modes oscillate at typical electron bounce frequency with wavelength of the order of the plasma sheet thickness. As the stretching of the plasma sheet becomes more intense, the frequency of these normal modes decreases and beyond a certain threshold in B_{z}/B _{lobes}, the mode becomes explosive (pure imaginary frequency) with typical growing rate of a few

  8. Structure and Reversibility of 2D von Neumann Cellular Automata Over Triangular Lattice

    NASA Astrophysics Data System (ADS)

    Uguz, Selman; Redjepov, Shovkat; Acar, Ecem; Akin, Hasan

    2017-06-01

    Even though the fundamental main structure of cellular automata (CA) is a discrete special model, the global behaviors at many iterative times and on big scales could be a close, nearly a continuous, model system. CA theory is a very rich and useful phenomena of dynamical model that focuses on the local information being relayed to the neighboring cells to produce CA global behaviors. The mathematical points of the basic model imply the computable values of the mathematical structure of CA. After modeling the CA structure, an important problem is to be able to move forwards and backwards on CA to understand their behaviors in more elegant ways. A possible case is when CA is to be a reversible one. In this paper, we investigate the structure and the reversibility of two-dimensional (2D) finite, linear, triangular von Neumann CA with null boundary case. It is considered on ternary field ℤ3 (i.e. 3-state). We obtain their transition rule matrices for each special case. For given special triangular information (transition) rule matrices, we prove which triangular linear 2D von Neumann CAs are reversible or not. It is known that the reversibility cases of 2D CA are generally a much challenged problem. In the present study, the reversibility problem of 2D triangular, linear von Neumann CA with null boundary is resolved completely over ternary field. As far as we know, there is no structure and reversibility study of von Neumann 2D linear CA on triangular lattice in the literature. Due to the main CA structures being sufficiently simple to investigate in mathematical ways, and also very complex to obtain in chaotic systems, it is believed that the present construction can be applied to many areas related to these CA using any other transition rules.

  9. Quantitative nanoscale visualization of heterogeneous electron transfer rates in 2D carbon nanotube networks

    PubMed Central

    Güell, Aleix G.; Ebejer, Neil; Snowden, Michael E.; McKelvey, Kim; Macpherson, Julie V.; Unwin, Patrick R.

    2012-01-01

    Carbon nanotubes have attracted considerable interest for electrochemical, electrocatalytic, and sensing applications, yet there remains uncertainty concerning the intrinsic electrochemical (EC) activity. In this study, we use scanning electrochemical cell microscopy (SECCM) to determine local heterogeneous electron transfer (HET) kinetics in a random 2D network of single-walled carbon nanotubes (SWNTs) on an Si/SiO2 substrate. The high spatial resolution of SECCM, which employs a mobile nanoscale EC cell as a probe for imaging, enables us to sample the responses of individual portions of a wide range of SWNTs within this complex arrangement. Using two redox processes, the oxidation of ferrocenylmethyl trimethylammonium and the reduction of ruthenium (III) hexaamine, we have obtained conclusive evidence for the high intrinsic EC activity of the sidewalls of the large majority of SWNTs in networks. Moreover, we show that the ends of SWNTs and the points where two SWNTs cross do not show appreciably different HET kinetics relative to the sidewall. Using finite element method modeling, we deduce standard rate constants for the two redox couples and demonstrate that HET based solely on characteristic defects in the SWNT side wall is highly unlikely. This is further confirmed by the analysis of individual line profiles taken as the SECCM probe scans over an SWNT. More generally, the studies herein demonstrate SECCM to be a powerful and versatile method for activity mapping of complex electrode materials under conditions of high mass transport, where kinetic assignments can be made with confidence. PMID:22635266

  10. Mercury (I) nitroprusside: A 2D structure supported on homometallic interactions

    SciTech Connect

    Osiry, H.; Cano, A.; Reguera, L.; Lemus-Santana, A.A.; Reguera, E.

    2015-01-15

    The pentacyanonitrosylferrate complex anion, [Fe(CN){sub 5}NO]{sup 2−}, forms an insoluble solid with Hg(I) ion, of formula unit Hg{sub 2}[Fe(CN){sub 5}NO]·2H{sub 2}O, whose crystal structure and related properties are unknown. This contribution reports the preparation of that compound by the precipitation method and its structural study from X-ray powder patterns complemented with spectroscopic information from IR, Raman, and UV–vis techniques. The crystal structure was solved ab initio and then refined using the Rietveld method. The solid crystallizes with a triclinic unit cell, in the P−1 space group, with cell parameters a=10.1202(12), b=10.1000(13), c=7.4704(11) Å; α=110.664(10), β=110.114(10), γ=104.724(8) °. Within the unit cell, two formula units are accommodated (Z=2). It adopts a layered structure related with the coordination of the equatorial CN groups at their N end to the Hg atoms while the axial CN ligand remains unlinked. Within the layers neighboring Hg{sub 2}[Fe(CN){sub 5}NO] building units remain linked through four relatively strong Hg–Hg interactions, with an interatomic distance of 2.549(3) Å. The charge donation from the equatorial CN groups through their 5σ orbitals results into an increase for the electron density on the Hg atoms, which strengths the Hg–Hg bond. In the Raman spectrum, that metal–metal bond is detected as a stretching vibration band at 167 cm{sup −1}. The available free volume between neighboring layers accommodates two water molecules, which are stabilized within the framework through hydrogen bonds with the N end of the unlinked axial CN group. The removal of these weakly bonded water molecules results in structural disorder for the material 3D framework. - Graphical abstract: Assembling of Hg{sub 2}[Fe(CN){sub 5}NO] units through Hg–Hg interactions. - Highlights: • Homometallic Hg–Hg interactions in metal nitroprusside. • 2D structure supported on metal–metal interactions. • Crystal

  11. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation

    NASA Astrophysics Data System (ADS)

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-01

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  12. Unveiling Dimensionality Dependence of Glassy Dynamics: 2D Infinite Fluctuation Eclipses Inherent Structural Relaxation.

    PubMed

    Shiba, Hayato; Yamada, Yasunori; Kawasaki, Takeshi; Kim, Kang

    2016-12-09

    By using large-scale molecular dynamics simulations, the dynamics of two-dimensional (2D) supercooled liquids turns out to be dependent on the system size, while the size dependence is not pronounced in three-dimensional (3D) systems. It is demonstrated that the strong system-size effect in 2D amorphous systems originates from the enhanced fluctuations at long wavelengths which are similar to those of 2D crystal phonons. This observation is further supported by the frequency dependence of the vibrational density of states, consisting of the Debye approximation in the low-wave-number limit. However, the system-size effect in the intermediate scattering function becomes negligible when the length scale is larger than the vibrational amplitude. This suggests that the finite-size effect in a 2D system is transient and also that the structural relaxation itself is not fundamentally different from that in a 3D system. In fact, the dynamic correlation lengths estimated from the bond-breakage function, which do not suffer from those enhanced fluctuations, are not size dependent in either 2D or 3D systems.

  13. Multiple triangulation analysis: application to determine the velocity of 2-D structures

    NASA Astrophysics Data System (ADS)

    Zhou, X.-Z.; Zong, Q.-G.; Wang, J.; Pu, Z. Y.; Zhang, X. G.; Shi, Q. Q.; Cao, J. B.

    2006-11-01

    In order to avoid the ambiguity of the application of the Triangulation Method (multi-spacecraft timing method) to two-dimensional structures, another version of this method, the Multiple Triangulation Analysis (MTA) is used, to calculate the velocities of these structures based on 4-point measurements. We describe the principle of MTA and apply this approach to a real event observed by the Cluster constellation on 2 October 2003. The resulting velocity of the 2-D structure agrees with the ones obtained by some other methods fairly well. So we believe that MTA is a reliable version of the Triangulation Method for 2-D structures, and thus provides us a new way to describe their motion.

  14. Low band gap frequencies and multiplexing properties in 1D and 2D mass spring structures

    NASA Astrophysics Data System (ADS)

    Aly, Arafa H.; Mehaney, Ahmed

    2016-11-01

    This study reports on the propagation of elastic waves in 1D and 2D mass spring structures. An analytical and computation model is presented for the 1D and 2D mass spring systems with different examples. An enhancement in the band gap values was obtained by modeling the structures to obtain low frequency band gaps at small dimensions. Additionally, the evolution of the band gap as a function of mass value is discussed. Special attention is devoted to the local resonance property in frequency ranges within the gaps in the band structure for the corresponding infinite periodic lattice in the 1D and 2D mass spring system. A linear defect formed of a row of specific masses produces an elastic waveguide that transmits at the narrow pass band frequency. The frequency of the waveguides can be selected by adjusting the mass and stiffness coefficients of the materials constituting the waveguide. Moreover, we pay more attention to analyze the wave multiplexer and DE-multiplexer in the 2D mass spring system. We show that two of these tunable waveguides with alternating materials can be employed to filter and separate specific frequencies from a broad band input signal. The presented simulation data is validated through comparison with the published research, and can be extended in the development of resonators and MEMS verification.

  15. RNA 3D Modules in Genome-Wide Predictions of RNA 2D Structure

    PubMed Central

    Theis, Corinna; Zirbel, Craig L.; zu Siederdissen, Christian Höner; Anthon, Christian; Hofacker, Ivo L.; Nielsen, Henrik; Gorodkin, Jan

    2015-01-01

    Recent experimental and computational progress has revealed a large potential for RNA structure in the genome. This has been driven by computational strategies that exploit multiple genomes of related organisms to identify common sequences and secondary structures. However, these computational approaches have two main challenges: they are computationally expensive and they have a relatively high false discovery rate (FDR). Simultaneously, RNA 3D structure analysis has revealed modules composed of non-canonical base pairs which occur in non-homologous positions, apparently by independent evolution. These modules can, for example, occur inside structural elements which in RNA 2D predictions appear as internal loops. Hence one question is if the use of such RNA 3D information can improve the prediction accuracy of RNA secondary structure at a genome-wide level. Here, we use RNAz in combination with 3D module prediction tools and apply them on a 13-way vertebrate sequence-based alignment. We find that RNA 3D modules predicted by metaRNAmodules and JAR3D are significantly enriched in the screened windows compared to their shuffled counterparts. The initially estimated FDR of 47.0% is lowered to below 25% when certain 3D module predictions are present in the window of the 2D prediction. We discuss the implications and prospects for further development of computational strategies for detection of RNA 2D structure in genomic sequence. PMID:26509713

  16. Multi-field electron emission pattern of 2D emitter: Illustrated with graphene

    NASA Astrophysics Data System (ADS)

    Luo, Ma; Li, Zhibing

    2016-11-01

    The mechanism of laser-assisted multi-field electron emission of two-dimensional emitters is investigated theoretically. The process is basically a cold field electron emission but having more controllable components: a uniform electric field controls the emission potential barrier, a magnetic field controls the quantum states of the emitter, while an optical field controls electron populations of specified quantum states. It provides a highly orientational vacuum electron line source whose divergence angle over the beam plane is inversely proportional to square root of the emitter height. Calculations are carried out for graphene with the armchair emission edge, as a concrete example. The rate equation incorporating the optical excitation, phonon scattering, and thermal relaxation is solved in the quasi-equilibrium approximation for electron population in the bands. The far-field emission patterns, that inherit the features of the Landau bands, are obtained. It is found that the optical field generates a characteristic structure at one wing of the emission pattern.

  17. Fabrication of high efficiency compact 90° bend waveguide by using a dielectric 2D-PC structure

    NASA Astrophysics Data System (ADS)

    Stomeo, Tiziana; Bergamo, Roberto; Martiradonna, Luigi; Cingolani, Roberto; De Vittorio, Massimo; D'Orazio, Antonella; Marrocco, Valeria

    2005-07-01

    In this paper we propose the design and the fabrication of 90° bend ridge waveguide (WG) assisted by a two-dimensional photonic crystal (2D-PC). 2D-PCs act as efficient mirrors along the boundaries of the bend ridge thus reducing the in-plane losses. The ridge waveguide consists of a 3 μm x 0.75 μm titanium dioxide core on a silica bottom cladding. The 2D-PC structure surrounding the bend waveguide is composed of a triangular array of circular dielectric pillars having a height of 0.75 μm. The titanium dioxide waveguiding core layer is covered with PMMA in order to create a quasi-symmetric structure. A photonic band gap centered around 1.3 μm is obtained by a PC radius r = 0.33a and lattice period a = 0.450 μm. The design of the whole structure is subsequently optimized by using a 3D Finite Difference Time Domain based computer code. The ridge waveguide assisted by a 2D-PC has been fabricated by using electron beam lithography and reactive ion etching. For the pattern transfer we have used about 50 nm thin layer Cr metal etch mask obtained by means of a lift-off technique based on the use of bi-layer resist (PMMA/MMA). The presence of the 2D-PC around the bend waveguide leads to a sharp increase of the transmission efficiency around 1.3 μm for curvature radius of 2.5 μm. The bend transmission results to be in the range between 0.76 and 0.85 when the thickness of the ridge WG and of the 2D-PC pillars is between 0.75 and 1.3 μm. This value is more than twice with respect to the bend waveguide without 2D-PC.

  18. Metal-organic extended 2D structures: Fe-PTCDA on Au(111).

    PubMed

    Alvarez, Lucía; Peláez, Samuel; Caillard, Renaud; Serena, Pedro A; Martín-Gago, José A; Méndez, Javier

    2010-07-30

    In this work we combine organic molecules of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) with iron atoms on an Au (111) substrate in ultra-high vacuum conditions at different temperatures. By means of scanning tunnelling microscopy (STM) we study the formation of stable 2D metal-organic structures. We show that at certain growth conditions (temperature, time and coverage) stable 'ladder-like' nanostructures are obtained. These are the result of connecting together two metal-organic chains through PTCDA molecules placed perpendicularly, as rungs of a ladder. These structures, stable up to 450 K, can be extended in a 2D layer covering the entire surface and presenting different rotation domains. STM images at both polarities show a contrast reversal between the two molecules at the unit cell. By means of density functional theory (DFT) calculations, we confirm the stability of these structures and that their molecular orbitals are placed separately at the different molecules.

  19. Residual resistance of 2D and 3D structures and Joule heat release.

    PubMed

    Gurevich, V L; Kozub, V I

    2011-06-22

    We consider a residual resistance and Joule heat release in 2D nanostructures as well as in ordinary 3D conductors. We assume that elastic scattering of conduction electrons by lattice defects is predominant. Within a rather intricate situation in such systems we discuss in detail two cases. (1) The elastic scattering alone (i.e. without regard of inelastic mechanisms of scattering) leads to a transition of the mechanical energy (stored by the electrons under the action of an electric field) into heat in a traditional way. This process can be described by the Boltzmann equation where it is possible to do the configuration averaging over defect positions in the electron-impurity collision term. The corresponding conditions are usually met in metals. (2) The elastic scattering can be considered with the help of the standard electron-impurity collision integral only in combination with some additional averaging procedure (possibly including inelastic scattering or some mechanisms of electron wavefunction phase destruction). This situation is typical for degenerate semiconductors with a high concentration of dopants and conduction electrons. Quite often, heat release can be observed via transfer of heat to the lattice, i.e. via inelastic processes of electron-phonon collisions and can take place at distances much larger than the size of the device. However, a direct heating of the electron system can be registered too by, for instance, local measurements of the current noise or direct measurement of an electron distribution function.

  20. Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures

    PubMed Central

    Warmuth, Franziska; Körner, Carolin

    2015-01-01

    The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented. PMID:28793713

  1. An experimental study: evaluating the tissue structure of penis with 2D-ShearWave™ Elastography.

    PubMed

    Qiao, X-H; Zhang, J-J; Gao, F; Li, F; Liu, Y; Xing, L-X; Du, L-F; Xing, J-F

    2017-01-01

    The aim of this study was to investigate the feasibility of two-dimensional-ShearWave™ Elastography (2D-SWE) on evaluating the change of tissue structure of penis. Twenty healthy male Sprague Dawley rats were divided into penis-developed group (PDG, 52 weeks) and penis-underdeveloped group (PUDG, 5 weeks). The ultrafast ultrasound device-Aixplorer® (SuperSonic Imagine) was used for 2D-SWE imaging of the penis, the measurement index was shear wave stiffness (SWS, kPa). All rat penises were cut off immediately after ultrasonic examination. After paraffin embedding, slicing and hematoxylin-eosin staining, the tissue structure of the penis was observed under light microscope. SWS of all rat penises were measured successfully. The results showed that SWS of PDG was significantly lower than PUDG (P=0.008). At the same time, the pathological results found that there were significant differences in the tissue structures (sinusoids, smooth muscle cells and fibrocytes) of the penises between the two groups. These results suggest that there are significant differences in SWS between different tissue structures of penis. 2D-SWE is expected to be used on the etiological diagnosis of erectile dysfunction by serving as a new noninvasive method of evaluating the change of tissue structure of penis.

  2. Amide I'-II' 2D IR spectroscopy provides enhanced protein secondary structural sensitivity.

    PubMed

    Deflores, Lauren P; Ganim, Ziad; Nicodemus, Rebecca A; Tokmakoff, Andrei

    2009-03-11

    We demonstrate how multimode 2D IR spectroscopy of the protein amide I' and II' vibrations can be used to distinguish protein secondary structure. Polarization-dependent amide I'-II' 2D IR experiments on poly-l-lysine in the beta-sheet, alpha-helix, and random coil conformations show that a combination of amide I' and II' diagonal and cross peaks can effectively distinguish between secondary structural content, where amide I' infrared spectroscopy alone cannot. The enhanced sensitivity arises from frequency and amplitude correlations between amide II' and amide I' spectra that reflect the symmetry of secondary structures. 2D IR surfaces are used to parametrize an excitonic model for the amide I'-II' manifold suitable to predict protein amide I'-II' spectra. This model reveals that the dominant vibrational interaction contributing to this sensitivity is a combination of negative amide II'-II' through-bond coupling and amide I'-II' coupling within the peptide unit. The empirically determined amide II'-II' couplings do not significantly vary with secondary structure: -8.5 cm(-1) for the beta sheet, -8.7 cm(-1) for the alpha helix, and -5 cm(-1) for the coil.

  3. Conformation and electronic population transfer in membrane-supported self-assembled porphyrin dimers by 2D fluorescence spectroscopy.

    PubMed

    Perdomo-Ortiz, Alejandro; Widom, Julia R; Lott, Geoffrey A; Aspuru-Guzik, Alán; Marcus, Andrew H

    2012-09-06

    Two-dimensional fluorescence spectroscopy (2D FS) is applied to determine the conformation and femtosecond electronic population transfer in a dimer of magnesium meso tetraphenylporphyrin. The dimers are prepared by self-assembly of the monomer within the amphiphilic regions of 1,2-distearoyl-sn-glycero-3-phosphocholine liposomes. A theoretical framework to describe 2D FS experiments is presented, and a direct comparison is made between the observables of this measurement and those of 2D electronic spectroscopy (2D ES). The sensitivity of the method to varying dimer conformation is explored. A global multivariable fitting analysis of linear and 2D FS data indicates that the dimer adopts a "bent T-shaped" conformation. Moreover, the manifold of singly excited excitons undergoes rapid electronic dephasing and downhill population transfer on the time scale of ∼95 fs. The open conformation of the dimer suggests that its self-assembly is favored by an increase in entropy of the local membrane environment.

  4. Kohn-Sham Band Structure Benchmark Including Spin-Orbit Coupling for 2D and 3D Solids

    NASA Astrophysics Data System (ADS)

    Huhn, William; Blum, Volker

    2015-03-01

    Accurate electronic band structures serve as a primary indicator of the suitability of a material for a given application, e.g., as electronic or catalytic materials. Computed band structures, however, are subject to a host of approximations, some of which are more obvious (e.g., the treatment of the exchange-correlation of self-energy) and others less obvious (e.g., the treatment of core, semicore, or valence electrons, handling of relativistic effects, or the accuracy of the underlying basis set used). We here provide a set of accurate Kohn-Sham band structure benchmarks, using the numeric atom-centered all-electron electronic structure code FHI-aims combined with the ``traditional'' PBE functional and the hybrid HSE functional, to calculate core, valence, and low-lying conduction bands of a set of 2D and 3D materials. Benchmarks are provided with and without effects of spin-orbit coupling, using quasi-degenerate perturbation theory to predict spin-orbit splittings. This work is funded by Fritz-Haber-Institut der Max-Planck-Gesellschaft.

  5. A Deformed Shape Monitoring Model for Building Structures Based on a 2D Laser Scanner

    PubMed Central

    Choi, Se Woon; Kim, Bub Ryur; Lee, Hong Min; Kim, Yousok; Park, Hyo Seon

    2013-01-01

    High-rise buildings subjected to lateral loads such as wind and earthquake loads must be checked not to exceed the limits on the maximum lateral displacement or the maximum inter-story drift ratios. In this paper, a sensing model for deformed shapes of a building structure in motion is presented. The deformed shape sensing model based on a 2D scanner consists of five modules: (1) module for acquiring coordinate information of a point in a building; (2) module for coordinate transformation and data arrangement for generation of time history of the point; (3) module for smoothing by adjacent averaging technique; (4) module for generation of the displacement history for each story and deformed shape of a building, and (5) module for evaluation of the serviceability of a building. The feasibility of the sensing model based on a 2D laser scanner is tested through free vibration tests of a three-story steel frame structure with a relatively high slenderness ratio of 5.0. Free vibration responses measured from both laser displacement sensors and a 2D laser scanner are compared. In the experimentation, the deformed shapes were obtained from three different methods: the model based on the 2D laser scanner, the direct measurement based on laser displacement sensors, and the numerical method using acceleration data and the displacements from GPS. As a result, it is confirmed that the deformed shape measurement model based on a 2D laser scanner can be a promising alternative for high-rise buildings where installation of laser displacement sensors is impossible. PMID:23698269

  6. Influences of Quantum Mechanically Mixed Electronic and Vibrational Pigment States in 2D Electronic Spectra of Photosynthetic Systems: Strong Electronic Coupling Cases

    DOE PAGES

    Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito

    2015-09-07

    In 2D electronic spectroscopy studies, long-lived quantum beats have recently been observed in photosynthetic systems, and several theoretical studies have suggested that the beats are produced by quantum mechanically mixed electronic and vibrational states. Concerning the electronic-vibrational quantum mixtures, the impact of protein-induced fluctuations was examined by calculating the 2D electronic spectra of a weakly coupled dimer with the Franck-Condon active vibrational modes in the resonant condition. This analysis demonstrated that quantum mixtures of the vibronic resonance are rather robust under the influence of the fluctuations at cryogenic temperatures, whereas the mixtures are eradicated by the fluctuations at physiological temperatures.more » However, this conclusion cannot be generalized because the magnitude of the coupling inducing the quantum mixtures is proportional to the inter-pigment electronic coupling. In this paper, we explore the impact of the fluctuations on electronic-vibrational quantum mixtures in a strongly coupled dimer with an off-resonant vibrational mode. Toward this end, we calculate energy transfer dynamics and 2D electronic spectra of a model dimer that corresponds to the most strongly coupled bacteriochlorophyll molecules in the Fenna-Matthews-Olson complex in a numerically accurate manner. The quantum mixtures are found to be robust under the exposure of protein-induced fluctuations at cryogenic temperatures, irrespective of the resonance. At 300 K, however, the quantum mixing is disturbed more strongly by the fluctuations, and therefore, the beats in the 2D spectra become obscure even in a strongly coupled dimer with a resonant vibrational mode. Further, the overall behaviors of the energy transfer dynamics are demonstrated to be dominated by the environment and coupling between the 0 0 vibronic transitions as long as the Huang-Rhys factor of the vibrational mode is small. Finally, the electronic-vibrational quantum

  7. The influence of pressure on the structure of a 2D uranium(VI) carboxyphosphonoate compound

    SciTech Connect

    Spencer, Elinor C.; Ross, Nancy L.; Surbella, Robert G.; Cahill, Christopher L.

    2014-10-15

    We report the first quantitative analysis of the structural evolution of a uranyl bearing coordination polymer in response to pressure. The material that is central to this study, (UO{sub 2})(O{sub 3}PCH{sub 2}CO{sub 2}H) (1), is constructed from rigid 2D inorganic layers comprising edge sharing UO{sub 7} pentagonal bipyramids cross-linked by [PO{sub 3}(COOH)]{sup 2−} anions. Strong hydrogen bonding interactions exist between the pendent carboxylic acid groups on adjacent layers. Under pressure, 1 exhibits compressional behaviour primarily in the direction perpendicular to the inorganic layers, which is aided by a reduction in the interlayer distance and shifting of the layers with respect to each other. The bulk modulus for the 2D compound 1 is unexpectedly high [18.1(1) GPa] and is within the range reported for 3D CPs assembled from Zn{sup II} cations and inflexible imidazolate anions, and is at the lower end of the range of moduli observed for aluminosilicate zeolites (19–59 GPa). - Graphical Abstract: The compression mechanism and elastic constants for a 2D Uranium(VI) carboxyphosphonoate compound are reported. - Highlights: • The response to pressure of a uranium carboxyphosphonoate compound has been studied. • High-pressure single-crystal XRD data for this 2D uranium compound were collected. • Elastic constants for this material have been determined. • The compression mechanism for the compound has been elucidated.

  8. Photo-electroactive ternary chalcogenido-indate-stannates with a unique 2-D porous structure.

    PubMed

    Wu, Jing; Pu, Ya-Yang; Zhao, Xiao-Wei; Qian, Li-Wen; Bian, Guo-Qing; Zhu, Qin-Yu; Dai, Jie

    2015-03-14

    A lot of ternary In-Sb-Q (Q = S, Se) chalcogenido-metalates with amines or complex cations have been recently reported for their diverse structures, however, such a type of In-Sn-Q chalcogenido-metalate has been rarely announced. Herein, we report a series of 2-D In-Sn-Q compounds prepared using a metal-phenanthroline cationic template, [M(Phen)3](In2Sn2Q8)·(amine)·nH2O (M = Ni(II), Fe(II) or Co(II); amine = cyclohexylamine (Cha) or 1,6-diaminohexane (Dah); Q = S or Se). Their anions are isostructural and a 2-D porous network with large 16-tetrahedron-rings. The 2-D network joint of In-Sn-Q is a (In/Sn)3Q3 six-membered ring, which is different from the Sn3Q4 pseudosemicube of most 2-D Sn-Q binary compounds. The materials exhibit photocurrent response properties measured using a photo-electrochemical cell. The result shows that (1) the selenides exhibit more intense photocurrents than the sulfides and (2) the current intensity is related to the metal-phenanthroline cations.

  9. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    NASA Astrophysics Data System (ADS)

    Fujihashi, Yuta; Fleming, Graham R.; Ishizaki, Akihito

    2015-06-01

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  10. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra

    SciTech Connect

    Fujihashi, Yuta; Ishizaki, Akihito; Fleming, Graham R.

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  11. Impact of environmentally induced fluctuations on quantum mechanically mixed electronic and vibrational pigment states in photosynthetic energy transfer and 2D electronic spectra.

    PubMed

    Fujihashi, Yuta; Fleming, Graham R; Ishizaki, Akihito

    2015-06-07

    Recently, nuclear vibrational contribution signatures in two-dimensional (2D) electronic spectroscopy have attracted considerable interest, in particular as regards interpretation of the oscillatory transients observed in light-harvesting complexes. These transients have dephasing times that persist for much longer than theoretically predicted electronic coherence lifetime. As a plausible explanation for this long-lived spectral beating in 2D electronic spectra, quantum-mechanically mixed electronic and vibrational states (vibronic excitons) were proposed by Christensson et al. [J. Phys. Chem. B 116, 7449 (2012)] and have since been explored. In this work, we address a dimer which produces little beating of electronic origin in the absence of vibronic contributions, and examine the impact of protein-induced fluctuations upon electronic-vibrational quantum mixtures by calculating the electronic energy transfer dynamics and 2D electronic spectra in a numerically accurate manner. It is found that, at cryogenic temperatures, the electronic-vibrational quantum mixtures are rather robust, even under the influence of the fluctuations and despite the small Huang-Rhys factors of the Franck-Condon active vibrational modes. This results in long-lasting beating behavior of vibrational origin in the 2D electronic spectra. At physiological temperatures, however, the fluctuations eradicate the mixing, and hence, the beating in the 2D spectra disappears. Further, it is demonstrated that such electronic-vibrational quantum mixtures do not necessarily play a significant role in electronic energy transfer dynamics, despite contributing to the enhancement of long-lived quantum beating in 2D electronic spectra, contrary to speculations in recent publications.

  12. Hydrogen-bond-assisted "gold cold fusion" for fabrication of 2D web structures.

    PubMed

    Mandal, Saikat; Shundo, Atsuomi; Acharya, Somobrata; Hill, Jonathan P; Ji, Qingmin; Ariga, Katsuhiko

    2009-07-06

    Keeping their cool: Fabrication of a 2D weblike nanonetwork of gold was successfully demonstrated through a two-step procedure including complexation of gold precursors to a weblike supramolecular assembly of surfactant followed by in situ reduction of the precursors to gold. Molecular assemblies stabilized by hydrogen bonding provided a sound template, leading to the highly integrated structure of gold through room-temperature (cold) nanostructure fusion.

  13. Well-defined azazirconacyclopropane complexes supported on silica structurally determined by 2D NMR comparative elucidation.

    PubMed

    El Eter, Mohamad; Hamzaoui, Bilel; Abou-Hamad, Edy; Pelletier, Jérémie D A; Basset, Jean-Marie

    2013-05-21

    Grafting of Zr(NMe2)4 on mesoporous silica SBA-15 afforded selectively well-defined surface species [triple bond, length as m-dash]SiOZr(NMe2)(η2NMeCH2). 2D solid-state NMR ((1)H-(13)C HETCOR, Multiple Quantum) experiments have shown a unique structural rearrangement occurring on the immobilised zirconium bis methylamido ligand.

  14. Spin-Orbit Interaction in High-κ Dielectric Gated Rashba-2D Electron Gas and Mesoscopic Rings

    NASA Astrophysics Data System (ADS)

    Dai, Yanhua; Yuan, Zhuoquan; Stone, Kristjan; Du, Rui-Rui; Xu, Min; Ye, Peide

    2008-03-01

    There is increasing current interest in the quantum interference effect in mesoscopic devices fabricated on a Rashba-2D electron gas (2DEG), where the spin-orbit interaction parameters can be tuned by a potential gate. We explore ring structures that use a gate consisting of thin (5nm-50nm) high-κ dielectric Al2O3 or HfO2 layer and nano-patterned metals. The 2DEG is provided by lattice-matched In0.52Al0.48As/In0.53Ga0.47As/In0.52Al0.48As quantum wells that have a typical electron density n of 1.5x10^12/cm^2 and mobility μ>=2x10^4cm^2/Vs. The dielectric material was grown by atomic layer deposition. We will present the gate characteristics of Hall bars as well as magnetic transport data from gated mesoscopic rings. The work at Rice is funded by NSF DMR-0706634. Reference: M. Konig et al, Phys. Rev. Lett. 96, 076804 (2006); T. Bergsten et al, Phys. Rev. Lett. 97, 196803 (2006); B. Grbic et al, Phys. Rev. Lett. 99, 176803 (2007).

  15. Enhanced p-type behavior in the hybrid structure of graphene quantum dots/2D-WSe2

    NASA Astrophysics Data System (ADS)

    Liu, Ping; Zhu, Xingqun; Feng, Chao; Huang, Meng; Li, Jing; Lu, Yalin; Xiang, Bin

    2017-09-01

    Transition metal dichalcogenides (TMDs) have emerged as promising candidates for realizing p-n junction device applications. However, the realization of the modulation in the electronic properties of p-type TMDs still remains challenging. Here, we report an enhanced p-type electrical transport behavior in a hybrid structure of graphene quantum dot (GQD)/two dimensional (2D) WSe2. The incorporation of GQDs onto the surface of thin layer WSe2 triggers significantly the charge transfer from WSe2 to GQDs due to the band alignment at the interface. As a result, the increase in the spectral weight of positive charged trions occurs, leading to a red shift in the photoluminescence in the hybrid structure of GQD/WSe2. Because of the charge transfer, it results in 50-time improvement in the hole carrier mobility with a decreased threshold voltage in the hybrid structure compared to pristine WSe2. Our results pave the way for enhancing the performance of other 2D material-based electronic devices.

  16. Effects of in-plane magnetic field on the transport of 2D electron vortices in non-uniform plasmas

    NASA Astrophysics Data System (ADS)

    Angus, Justin; Richardson, Andrew; Schumer, Joseph; Pulsed Power Team

    2015-11-01

    The formation of electron vortices in current-carrying plasmas is observed in 2D particle-in-cell (PIC) simulations of the plasma-opening switch. In the presence of a background density gradient in Cartesian systems, vortices drift in the direction found by crossing the magnetic field with the background density gradient as a result of the Hall effect. However, most of the 2D simulations where electron vortices are seen and studied only allow for in-plane currents and thus only an out-of-plane magnetic field. Here we present results of numerical simulations of 2D, seeded electron vortices in an inhomogeneous background using the generalized 2D electron-magneto-hydrodynamic model that additionally allows for in-plane components of the magnetic field. By seeding vortices with a varying axial component of the velocity field, so that the vortex becomes a corkscrew, it is found that a pitch angle of around 20 degrees is sufficient to completely prevent the vortex from propagating due to the Hall effect for typical plasma parameters. This work is supported by the NRL Base Program.

  17. Final LDRD report : the physics of 1D and 2D electron gases in III-nitride heterostructure NWs.

    SciTech Connect

    Armstrong, Andrew M.; Arslan, Ilke; Upadhya, Prashanth C.; Morales, Eugenia T.; Leonard, Francois Leonard; Li, Qiming; Wang, George T.; Talin, Albert Alec; Prasankumar, Rohit P.; Lin, Yong

    2009-09-01

    The proposed work seeks to demonstrate and understand new phenomena in novel, freestanding III-nitride core-shell nanowires, including 1D and 2D electron gas formation and properties, and to investigate the role of surfaces and heterointerfaces on the transport and optical properties of nanowires, using a combined experimental and theoretical approach. Obtaining an understanding of these phenomena will be a critical step that will allow development of novel, ultrafast and ultraefficient nanowire-based electronic and photonic devices.

  18. Locally adaptive 2D-3D registration using vascular structure model for liver catheterization.

    PubMed

    Kim, Jihye; Lee, Jeongjin; Chung, Jin Wook; Shin, Yeong-Gil

    2016-03-01

    Two-dimensional-three-dimensional (2D-3D) registration between intra-operative 2D digital subtraction angiography (DSA) and pre-operative 3D computed tomography angiography (CTA) can be used for roadmapping purposes. However, through the projection of 3D vessels, incorrect intersections and overlaps between vessels are produced because of the complex vascular structure, which makes it difficult to obtain the correct solution of 2D-3D registration. To overcome these problems, we propose a registration method that selects a suitable part of a 3D vascular structure for a given DSA image and finds the optimized solution to the partial 3D structure. The proposed algorithm can reduce the registration errors because it restricts the range of the 3D vascular structure for the registration by using only the relevant 3D vessels with the given DSA. To search for the appropriate 3D partial structure, we first construct a tree model of the 3D vascular structure and divide it into several subtrees in accordance with the connectivity. Then, the best matched subtree with the given DSA image is selected using the results from the coarse registration between each subtree and the vessels in the DSA image. Finally, a fine registration is conducted to minimize the difference between the selected subtree and the vessels of the DSA image. In experimental results obtained using 10 clinical datasets, the average distance errors in the case of the proposed method were 2.34±1.94mm. The proposed algorithm converges faster and produces more correct results than the conventional method in evaluations on patient datasets.

  19. 1d, 2d, and 3d periodic structures: Electromagnetic characterization, design, and measurement

    NASA Astrophysics Data System (ADS)

    Brockett, Timothy John

    Periodic structures have many useful applications in electromagnetics including phased arrays, frequency selective surfaces, and absorbing interfaces. Their unique properties can be used to provide increased performance in antenna gain, electromagnetic propagation, and electromagnetic absorption. In antenna arrays, repeating elements create a larger eective aperture, increasing the gain of the antenna and the ability to scan the direction of the main beam. Three-dimensional periodic structures, such as an array of shaped pillars such as columns, cones, or prisms have the potential of improving electromagnetic absorption, improving performance in applications such as solar cell eciency and absorbing interfaces. Furthermore, research into periodic structures is a continuing endeavor where novel approaches and analysis in appropriate applications can be sought. This dissertation will address the analysis, diagnostics, and enhancement of 1D, 2D, and 3D periodic structures for antenna array applications and solar cell technology. In particular, a unique approach to array design will be introduced to prevent the appearance of undesirable grating lobes in large antenna arrays that employ subarrays. This approach, named the distortion diagnostic procedure, can apply directly to 1D and 2D periodic structures in the form of planar antenna arrays. Interesting corollaries included here are developments in millimeter-wave antenna measurements including spiral planar scanning, phaseless measurements, and addressing antennas that feature an internal source. Finally, analysis and enhancement of 3D periodic structures in nanostructure photovoltaic arrays and absorbing interfaces will be examined for their behavior and basic operation in regards to improved absorption of electromagnetic waves.

  20. Experimental comparison of 2D arrays topologies for SHM of planar structures

    NASA Astrophysics Data System (ADS)

    Ambrozinski, Lukasz; Packo, Pawel; Stepinski, Tadeusz; Uhl, Tadeusz

    2012-04-01

    In this paper we present a new methodology for theoretical, numerical and experimental investigations of various 2D arrays' topologies. The theoretical evaluation is performed using frequency-dependent structure transfer function that affects propagation of Lamb waves (LWs) through the dispersive medium and enables investigation of the arrays' performance for a defined excitation signal. The numerical simulations are conducted using local interaction simulation approach (LISA) implemented on the NVIDIA R CUDA R graphical processing unit (GPU), which considerably accelerates 3D simulations of LWs propagation in a short time period. Finally, scanning laser vibrometer is used to sense the LWs excited by PZT transducers, in multiple points corresponding to the locations of the 2D array elements. In this way performance of various array architectures in the reception mode can be evaluated experimentally without the need of physical prototype - a change of topology requires only straightforward modification of the measurement points' distribution at the tested plate.

  1. Structural transformation in monolayer materials: a 2D to 1D transformation.

    PubMed

    Momeni, Kasra; Attariani, Hamed; LeSar, Richard A

    2016-07-20

    Reducing the dimensions of materials to atomic scales results in a large portion of atoms being at or near the surface, with lower bond order and thus higher energy. At such scales, reduction of the surface energy and surface stresses can be the driving force for the formation of new low-dimensional nanostructures, and may be exhibited through surface relaxation and/or surface reconstruction, which can be utilized for tailoring the properties and phase transformation of nanomaterials without applying any external load. Here we used atomistic simulations and revealed an intrinsic structural transformation in monolayer materials that lowers their dimension from 2D nanosheets to 1D nanostructures to reduce their surface and elastic energies. Experimental evidence of such transformation has also been revealed for one of the predicted nanostructures. Such transformation plays an important role in bi-/multi-layer 2D materials.

  2. 2D-CELL: image processing software for extraction and analysis of 2-dimensional cellular structures

    NASA Astrophysics Data System (ADS)

    Righetti, F.; Telley, H.; Leibling, Th. M.; Mocellin, A.

    1992-01-01

    2D-CELL is a software package for the processing and analyzing of photographic images of cellular structures in a largely interactive way. Starting from a binary digitized image, the programs extract the line network (skeleton) of the structure and determine the graph representation that best models it. Provision is made for manually correcting defects such as incorrect node positions or dangling bonds. Then a suitable algorithm retrieves polygonal contours which define individual cells — local boundary curvatures are neglected for simplicity. Using elementary analytical geometry relations, a range of metric and topological parameters describing the population are then computed, organized into statistical distributions and graphically displayed.

  3. Stable structure-approximating inverse protein folding in 2D hydrophobic-polar-cysteine (HPC) model.

    PubMed

    Khodabakhshi, Alireza Hadj; Manuch, Ján; Rafiey, Arash; Gupta, Arvind

    2009-01-01

    The inverse protein folding problem is that of designing an amino acid sequence which folds into a prescribed conformation/structure. This problem arises in drug design where a particular structure is necessary to ensure proper protein-protein interactions. Gupta et al. (2005) introduced a design in the two-dimensional (2D) hydrophobic-polar (HP) model of Dill that can be used to approximate any given (2D) shape. They conjectured that the protein sequences of their design are stable but only proved the stability for an infinite class of very basic structures. We introduce a refinement of the HP model, in which the cysteine and non-cysteine hydrophobic monomers are distinguished and SS-bridges, which two cysteines can form, are taken into account in the energy function. We call this model the HPC model. We consider a subclass of linear structures designed in Gupta et al. (2005) which is rich enough to approximate (although more coarsely) any given structure. We refine these structures for the HPC model by setting approximately a half of H amino acids to cysteine ones and call them snake structures. We first prove that the proteins of the snake structures are stable under the strong HPC model in which we make an additional assumption that non-cysteine amino acids act as cysteine ones, i.e., they can form their own bridges to reduce the energy. Then we consider a subclass of snake structures called wave structures that can still approximate any given shape and prove that their proteins are stable under the proper HPC model. This partially confirms the conjecture stated in Gupta et al. (2005). To prove the above results we developed a computational tool, called 2DHPSolver, which we used to perform large case analysis required for the proofs. We conjecture that the proteins of snake structures are stable under the proper HPC model.

  4. Detection and assessment of damage in 2D structures using measured modal response

    NASA Astrophysics Data System (ADS)

    Banan, Mohammad Reza; Mehdi-pour, Yousef

    2007-10-01

    Motivated by one of the concepts in the field of health monitoring for structural systems, a damage detection procedure is developed. In order to perform the system health monitoring, structural health along with sensor and actuator malfunction must be continuously checked. As a step toward developing a system health-monitoring scheme, this paper investigated structural damage detection, using a constrained eigenstructure assignment. The proposed damage detection method is constructed based on a concept of control theory and subspace rotation for two-dimensional (2D)-structural systems. To demonstrate the capabilities of the developed damage detection algorithm, the behavior of a simulated degraded braced-frame structure is studied. Using Monte Carlo simulation, the performance of the approach is evaluated. It shows that the proposed algorithm is potentially promising for application to real cases.

  5. UV laser direct writing of 2D/3D structures using photo-curable polydimethylsiloxane (PDMS)

    NASA Astrophysics Data System (ADS)

    Obata, Kotaro; Slobin, Shayna; Schonewille, Adam; Hohnholz, Arndt; Unger, Claudia; Koch, Jürgen; Suttmann, Oliver; Overmeyer, Ludger

    2017-07-01

    Additive manufacturing with UV curable polydimethylsiloxane (PDMS) was achieved using UV laser direct writing. In these experiments, UV curable PDMS was locally polymerized to fabricate 1D and 2D single layer structures, as well as 3D multilayer structures. Line arrays with line widths between 18 and 47 µm were produced, and it was observed that good stability and repeatability of the photo-polymerization in the UV curable PDMS was possible. The 3D structures demonstrated the absorption depth of the UV curable PDMS, which was deeper than 3 mm, and enabled the fabrication of 3.1 mm tall structures with an aspect ratio of 2 in only a single layer. The 3D structures were sufficiently strong to show elastic properties. All surfaces were smooth and transparent. In addition, UV laser direct writing of UV curable PDMS realized patterning with uniform resolutions at each layer.

  6. Robust 2D principal component analysis: a structured sparsity regularized approach.

    PubMed

    Yipeng Sun; Xiaoming Tao; Yang Li; Jianhua Lu

    2015-08-01

    Principal component analysis (PCA) is widely used to extract features and reduce dimensionality in various computer vision and image/video processing tasks. Conventional approaches either lack robustness to outliers and corrupted data or are designed for one-dimensional signals. To address this problem, we propose a robust PCA model for two-dimensional images incorporating structured sparse priors, referred to as structured sparse 2D-PCA. This robust model considers the prior of structured and grouped pixel values in two dimensions. As the proposed formulation is jointly nonconvex and nonsmooth, which is difficult to tackle by joint optimization, we develop a two-stage alternating minimization approach to solve the problem. This approach iteratively learns the projection matrices by bidirectional decomposition and utilizes the proximal method to obtain the structured sparse outliers. By considering the structured sparsity prior, the proposed model becomes less sensitive to noisy data and outliers in two dimensions. Moreover, the computational cost indicates that the robust two-dimensional model is capable of processing quarter common intermediate format video in real time, as well as handling large-size images and videos, which is often intractable with other robust PCA approaches that involve image-to-vector conversion. Experimental results on robust face reconstruction, video background subtraction data set, and real-world videos show the effectiveness of the proposed model compared with conventional 2D-PCA and other robust PCA algorithms.

  7. FlaME: Flash Molecular Editor - a 2D structure input tool for the web.

    PubMed

    Dallakian, Pavel; Haider, Norbert

    2011-02-01

    So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure editor, using Adobe's Flash technology and its programming language, ActionScript. As a reference model application from the Java world, we selected the Java Molecular Editor (JME). In this feasibility study, we made an attempt to realize a subset of JME's functionality in the Flash Molecular Editor (FlaME) utility. These basic capabilities are: structure input, editing and depiction of single molecules, data import and export in molfile format. The result of molecular diagram sketching in FlaME is accessible in V2000 molfile format. By integrating the molecular editor into a web page, its communication with the HTML elements on this page is established using the two JavaScript functions, getMol() and setMol(). In addition, structures can be copied to the system clipboard. A first attempt was made to create a compact single-file application for 2D molecular structure input/editing on the web, based on Flash technology. With the application examples presented in this article, it could be demonstrated that the Flash methods are principally well-suited to provide the requisite communication between the Flash object (application) and the HTML elements on a web page, using JavaScript functions.

  8. FlaME: Flash Molecular Editor - a 2D structure input tool for the web

    PubMed Central

    2011-01-01

    Background So far, there have been no Flash-based web tools available for chemical structure input. The authors herein present a feasibility study, aiming at the development of a compact and easy-to-use 2D structure editor, using Adobe's Flash technology and its programming language, ActionScript. As a reference model application from the Java world, we selected the Java Molecular Editor (JME). In this feasibility study, we made an attempt to realize a subset of JME's functionality in the Flash Molecular Editor (FlaME) utility. These basic capabilities are: structure input, editing and depiction of single molecules, data import and export in molfile format. Implementation The result of molecular diagram sketching in FlaME is accessible in V2000 molfile format. By integrating the molecular editor into a web page, its communication with the HTML elements on this page is established using the two JavaScript functions, getMol() and setMol(). In addition, structures can be copied to the system clipboard. Conclusion A first attempt was made to create a compact single-file application for 2D molecular structure input/editing on the web, based on Flash technology. With the application examples presented in this article, it could be demonstrated that the Flash methods are principally well-suited to provide the requisite communication between the Flash object (application) and the HTML elements on a web page, using JavaScript functions. PMID:21284863

  9. Iterative Stable Alignment and Clustering of 2D Transmission Electron Microscope Images

    PubMed Central

    Yang, Zhengfan; Fang, Jia; Chittuluru, Johnathan; Asturias, Francisco J.; Penczek, Pawel A.

    2012-01-01

    SUMMARY Identification of homogeneous subsets of images in a macromolecular electron microscopy (EM) image data set is a critical step in single-particle analysis. The task is handled by iterative algorithms, whose performance is compromised by the compounded limitations of image alignment and K-means clustering. Here we describe an approach, iterative stable alignment and clustering (ISAC) that, relying on a new clustering method and on the concepts of stability and reproducibility, can extract validated, homogeneous subsets of images. ISAC requires only a small number of simple parameters and, with minimal human intervention, can eliminate bias from two-dimensional image clustering and maximize the quality of group averages that can be used for ab initio three-dimensional structural determination and analysis of macromolecular conformational variability. Repeated testing of the stability and reproducibility of a solution within ISAC eliminates heterogeneous or incorrect classes and introduces critical validation to the process of EM image clustering. PMID:22325773

  10. 2D-ordered dielectric sub-micron bowls on a metal surface: a useful hybrid plasmonic-photonic structure

    NASA Astrophysics Data System (ADS)

    Lan, Yue; Wang, Shiqiang; Yin, Xianpeng; Liang, Yun; Dong, Hao; Gao, Ning; Li, Jian; Wang, Hui; Li, Guangtao

    2016-07-01

    -micron bowls on a flat gold surface was proposed, prepared, and theoretically and experimentally characterized. This hybrid structure supports two types of modes: surface plasmon polaritons bound at the metallic surface and waveguided mode of light confined in the cavity of bowls. Optical responses of this hybrid structure as well as the spatial electric field distribution of each mode are found to be strongly dependent on the structural parameters of this system, and thus could be widely modified on demand. Importantly, compared to the widely studied hybrid systems, namely the flat metallic surface coated with a monolayer array of latex spheres, the waveguided mode with strong field enhancement appearing in the cavities of bowls is more facilely accessible and thus suitable for practical use. For demonstration, a 2D-ordered silica sub-micron bowl array deposited on a flat gold surface was fabricated and used as a regenerable platform for fluorescence enhancement by simply accommodating emitters in bowls. All the simulation and experiment results indicate that the 2D-ordered dielectric sub-micron bowls on a metal surface should be a useful hybrid plasmonic-photonic system with great potential for applications such as sensors or tunable emitting devices if appropriate periods and materials are employed. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr02898e

  11. 2D coordination polymers of macrocyclic oxamide with polycarboxylates: syntheses, crystal structures and magnetic properties.

    PubMed

    Sun, Ya-Qiu; Xu, Yan-Yan; Gao, Dong-Zhao; Zhang, Guo-Ying; Liu, Yiao-Xu; Wang, Jing; Liao, Dai-Zheng

    2012-05-14

    Five new 2D coordination polymers, [Co(nip)(CuL)(H(2)O)]·CH(3)OH (1), [Mn(ip)(NiL)]·0.63H(2)O (2), [Cu(ip)(CuL)] (3), [Mn(6)(CuL)(6)(btc)(4)(H(2)O)(4)]·7H(2)O (4), and [Cu(CuL)(Hbtc)(H(2)O)] (5)(ML, H(2)L = 2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-diene; H(2)nip = 5-nitroisophthalic acid; H(2)ip = m-isophthalic acid; H(3)btc = 1,3,5-benzenetricarboxylic acid) have been synthesized by a solvothermal method and characterized by single-crystal X-ray diffraction. Complexes 1-5 exhibit different 2D layered structures formed by Co(2)Cu(2) (1), Mn(2)Ni(2) (2), Cu(4) (3), Mn(3)Ni(3) (4), Cu(4) (5) units, respectively, via the oxamide and diverse carboxylic acid bridges. Compounds 1, 2, 3 and 5 are uninodal 4-connected (4, 4)-grids topology, while complex 4 possesses a 2D network with (3, 4)-connected (4(2).8)(4)(4(3).6(2).8)(3) topology. The results of magnetic determination show pronounced antiferromagnetic interactions in 1-4.

  12. Synthesis, structure and luminescence property of 2D lanthanide complexes with 3-fluorophthalate and oxalate

    SciTech Connect

    Cha, Yu-E; Li, Xia; Song, Shuang

    2012-12-15

    Complexes [Ln{sub 2}(fpht){sub 2}(ox)(H{sub 2}O){sub 4}]{center_dot}H{sub 2}O (Ln=Sm 1, Eu 2, Tb 3 and Dy 4; fpht=3-fluorophthalate and ox=oxalate) have been synthesized and structurally characterized by single crystal X-ray diffraction. The four complexes possess similar 2D framework structures constructed from Ln-fpht double-stranded helices and ox linkages. Complexes 2 and 3 display the characteristic emission {sup 5}D{sub 0}{yields}{sup 7}F{sub J} (J=0-4) transitions of Eu(III) ion and {sup 5}D{sub 4}{yields}{sup 7}F{sub J} (J=6-3) transitions of Tb(III) ion, respectively. The emission decay curves reveal a monoexponential behavior yielding the lifetime values of 0.266{+-}0.002 ms for 2 and 0.733{+-}0.002 ms for 3. The emission spectrum of 1 shows three weak bands corresponding to the characteristic emission {sup 4}G{sub 5/2}{yields}{sup 6}H{sub 5/2}, {sup 4}G{sub 5/2}{yields}{sup 6}H{sub 7/2} and {sup 4}G{sub 5/2}{yields}{sup 6}H{sub 9/2} transitions of Sm(III) ion. The emission spectrum of 4 displays a broad band centered at 438 nm, which comes from the {pi}{sup Low-Asterisk }-{pi} transition of the ligand. - Graphical abstract: Complexes [Ln{sub 2}(fpht){sub 2}(ox)(H{sub 2}O){sub 4}]{center_dot}H{sub 2}O (fpht=3-fluorophthalate, ox=oxalate) possess 2D structures. Sm(III), Eu(III) and Tb(III) complexes show the characteristic fluorescent emission of the Ln(III). Dy(III) complex displays ligand-based luminescent behavior. Highlights: Black-Right-Pointing-Pointer [Ln{sub 2}(fpht){sub 2}(ox)(H{sub 2}O){sub 4}]{center_dot}H{sub 2}O (fpht=3-fluorophthalate; ox=oxalate) show 2D structures. Black-Right-Pointing-Pointer The 2D structures are constructed from Ln-fpht double-stranded helices and ox linkage. Black-Right-Pointing-Pointer The Sm(III), Eu(III) and Tb(III) complexes show the characteristic emission of the Ln(III) ions. Black-Right-Pointing-Pointer Dy(III) complex displays ligand-based luminescent behavior.

  13. Layer-by-Layer Assembled 2D Montmorillonite Dielectrics for Solution-Processed Electronics.

    PubMed

    Zhu, Jian; Liu, Xiaolong; Geier, Michael L; McMorrow, Julian J; Jariwala, Deep; Beck, Megan E; Huang, Wei; Marks, Tobin J; Hersam, Mark C

    2016-01-06

    Layer-by-layer assembled 2D montmorillonite nanosheets are shown to be high-performance, solution-processed dielectrics. These scalable and spatially uniform sub-10 nm thick dielectrics yield high areal capacitances of ≈600 nF cm(-2) and low leakage currents down to 6 × 10(-9) A cm(-2) that enable low voltage operation of p-type semiconducting single-walled carbon nanotube and n-type indium gallium zinc oxide field-effect transistors.

  14. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene).

    PubMed

    Mashtalir, O; Lukatskaya, M R; Kolesnikov, A I; Raymundo-Piñero, E; Naguib, M; Barsoum, M W; Gogotsi, Y

    2016-04-28

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. The hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g(-1) in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  15. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    DOE PAGES

    Mashtalir, O.; Lukatskaya, Maria R.; Kolesnikov, Alexander I.; ...

    2016-03-25

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. Furthermore, the hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g–1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  16. VizieR Online Data Catalog: Spectroscopy of N2D+ hyperfine structur

    NASA Astrophysics Data System (ADS)

    Dore, L.; Caselli, P.; Beninati, S.; Bourke, T.; Myers, P. C.; Cazzoli, G.

    2003-11-01

    The analysis of the fully resolved Nitrogen hyperfine structure of N2D+ (1-0) observed toward L183, together with laboratory measurements of the same molecular transition, allowed an accurate determination of the hyperfine constants of both outer and inner Nitrogen. In addition, accurate rotational and centrifugal distortion constants were derived from submillimeter-wave laboratory measurements. The Tables list calculated hyperfine frequencies of J+1<--J transitions, with J in the range 1-11, which occur in the millimeter- and submillimeter-wave region. (5 data files).

  17. Nonlinear soil-structure interaction calculations simulating the SIMQUAKE experiment using STEALTH 2D

    NASA Technical Reports Server (NTRS)

    Tang, H. T.; Hofmann, R.; Yee, G.; Vaughan, D. K.

    1980-01-01

    Transient, nonlinear soil-structure interaction simulations of an Electric Power Research Institute, SIMQUAKE experiment were performed using the large strain, time domain STEALTH 2D code and a cyclic, kinematically hardening cap soil model. Results from the STEALTH simulations were compared to identical simulations performed with the TRANAL code and indicate relatively good agreement between all the STEALTH and TRANAL calculations. The differences that are seen can probably be attributed to: (1) large (STEALTH) vs. small (TRANAL) strain formulation and/or (2) grid discretization differences.

  18. Effect of the Nuclear Hyperfine Field on the 2D Electron Conductivity in the Quantum Hall Regime

    SciTech Connect

    VITKALOV,S.A.; BOWERS,C.R.; SIMMONS,JERRY A.; RENO,JOHN L.

    2000-07-13

    The effect of the nuclear hyperfine interaction on the dc conductivity of 2D electrons under quantum Hall effect conditions at filling factor v= 1 is observed for the first time. The local hyperfine field enhanced by dynamic nuclear polarization is monitored via the Overhauser shift of the 2D conduction electron spin resonance in AlGaAs/GaAs multiquantum-well samples. The experimentally observed change in the dc conductivity resulting from dynamic nuclear polarization is in agreement with a thermal activation model incorporating the Zeeman energy change due to the hyperfine interaction. The relaxation decay time of the dc conductivity is, within experimental error, the same as the relaxation time of the nuclear spin polarization determined from the Overhauser shift. These findings unequivocally establish the nuclear spin origins of the observed conductivity change.

  19. Crystal and electronic characterization of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} semiconductors

    SciTech Connect

    Ozkendir, Osman Murat

    2016-02-15

    Highlights: • Crystal and electronic structure properties of Nd{sub x}Ti{sub 1−x}BO{sub 2+d} structure were investigated. • New crystal structures for Nd–Ti complexes are determined. • Distortions in the crystal structure were observed as a result of Boron shortage. • Prominent change in electronic properties of the samples with the increasing Nd amount. - Abstract: Neodymium substituted TiBO{sub 3} samples were investigated according to their crystal, electric and electronic properties. Studies were conducted by X-ray absorption fine structure spectroscopy (XAFS) technique for the samples with different substitutions in the preparation processes. To achieve better crystal structure results during the study, XRD pattern results were supported by extended-XAFS (EXAFS) analysis. The electronic structure analysis were studied by X-ray absorption near-edge structure spectroscopy (XANES) measurements at the room temperatures. Due to the substituted Nd atoms, prominent changes in crystal structure, new crystal geometries for Nd-Ti complexes, phase transitions in the crystals structure were detected according to the increasing Nd substitutions in the samples. In the entire stages of the substitutions, Nd atoms were observed as governing the whole phenomena due to their dominant characteristics in Ti geometries. Besides, electrical resistivity decay was determined in the materials with the increasing amount of Nd substitution.

  20. Probing the 2D kinematic structure of early-type galaxies out to three effective radii

    NASA Astrophysics Data System (ADS)

    Proctor, Robert N.; Forbes, Duncan A.; Romanowsky, Aaron J.; Brodie, Jean P.; Strader, Jay; Spolaor, Max; Mendel, J. Trevor; Spitler, Lee

    2009-09-01

    We detail an innovative new technique for measuring the two-dimensional (2D) velocity moments (rotation velocity, velocity dispersion and Gauss-Hermite coefficients h3 and h4) of the stellar populations of galaxy haloes using spectra from Keck DEIMOS (Deep Imaging Multi-Object Spectrograph) multi-object spectroscopic observations. The data are used to reconstruct 2D rotation velocity maps. Here we present data for five nearby early-type galaxies to ~three effective radii. We provide significant insights into the global kinematic structure of these galaxies, and challenge the accepted morphological classification in several cases. We show that between one and three effective radii the velocity dispersion declines very slowly, if at all, in all five galaxies. For the two galaxies with velocity dispersion profiles available from planetary nebulae data we find very good agreement with our stellar profiles. We find a variety of rotation profiles beyond one effective radius, i.e. rotation speed remaining constant, decreasing and increasing with radius. These results are of particular importance to studies which attempt to classify galaxies by their kinematic structure within one effective radius, such as the recent definition of fast- and slow-rotator classes by the Spectrographic Areal Unit for Research on Optical Nebulae project. Our data suggest that the rotator class may change when larger galactocentric radii are probed. This has important implications for dynamical modelling of early-type galaxies. The data from this study are available on-line.

  1. Co-templating ionothermal synthesis and structure characterization of two new 2D layered aluminophosphates.

    PubMed

    Wei, Ying; Marler, Bernd; Zhang, Ling; Tian, Zhijian; Graetsch, Heribert; Gies, Hermann

    2012-10-28

    For the first time, the co-templating ionothermal methodology was used in the preparation of layered aluminophosphate materials. With the addition of either 1,2-ethylenediamine or 1,6-hexanediamine to the ionic liquid 1-ethyl-3-methyl imidazolium chloride, two new 2D layered aluminophosphates RUB-A1 [Al(3)P(4)O(16)][NH(3)CH(2)CH(2)NH(3)](0.5)[C(6)N(2)H(11)](2) and RUB-A2 [Al(3)P(4)O(16)][NH(3)(CH(2))(6)NH(3)][NH(3)(CH(2))(6)NH(2)](0.5)[C(6)N(2)H(11)](0.5)[H(2)O] have been synthesized ionothermally by co-templating. The structure of RUB-A1 has been determined from single-crystal X-ray diffraction data using direct methods, while the structure of RUB-A2 has been solved ab initio from powder X-ray diffraction data with limited resolution using direct-space methods. Both of these two compounds have a 2D layered structure consisting of macroanionic sheets of composition [Al(3)P(4)O(16)](3-) stacked in an AAAA sequence. The inorganic layers are built up from alternatively vertex-sharing [AlO(4)]- and [PO(3)(=O)]-tetrahedral units forming a 4.6.8 and a 4.6.12 network for RUB-A1 and RUB-A2, respectively. The layer topology of RUB-A1 is closely related to the previously known 4.6.8-layer topology but with a different sequence of phosphoryl group orientation. Combining the results of structure analysis with the NMR, chemical analysis and TG-DTA experiments, we show that both the ionic liquid cation and the protonated diamines are located in the interlayer space and together direct the formation of these two structures.

  2. Effects of Strike on Automatic Depth Estimation for 2D Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Bastani, M.; Kero, L.; Pedersen, L. B.; Johansson, R.

    2006-12-01

    Many analysis methods have been developed to process densely sampled magnetic and/or gravity data to estimate source parameters. Werner deconvolution (Werner, 1953), analytic signal (Nabighian, 1972) and Euler deconvolution(Thompson, 1983) are among the most popular methods. They work either on profile data (Bastani and Pedersen, 2001) or on a regular grid (Thurston et al., 2002). All methods developed to estimate source parameters of the 2D magnetic structures work in the strike co-ordinate system. Werner deconvolution makes use of profile data to locate and compute the depth to the top and dip of thin sheets (dikes) with infinite strike and depth extent. Nabighian (1972) introduced the analytic signal to calculate the dip and depth to a set of 2D magnetic sources. The strike angle is assumed to be the same for all the magnetic anomalies along the profile. These methods use the horizontal and vertical derivatives of the total magnetic field to estimate the source parameters. While the vertical derivative is independent of strike direction the horizontal derivative is proportional to the sine of the angle between the profile and strike directions: the profile angle. Bastani and Pedersen (2001) used the analytic signal of the total magnetic field anomaly along a profile to estimate the dip, depth, width and strike of dikes. They introduced a method to estimate the strike of various anomalies at selected points along profiles by searching for coherent signals in neighboring profiles. Here we have used the same method to estimate strike of 2D anomalies. In order to illustrate the importance of strike angle on the estimated source parameters we have constructed synthetic data from a model that comprises a set of thin dikes with the same physical characteristics but with different strikes. We then applied 2D Werner deconvolution, 2D analytic signal (by Bastani and Pedersen), 2D and 3D Euler deconvolution to the data set. As expected the depth estimates are highly biased

  3. Kinetic fragility and structure of lithium borophosphate glasses analysed by 1D/2D NMR.

    PubMed

    Muñoz-Senovilla, Laura; Tricot, Gregory; Muñoz, Francisco

    2017-08-30

    The macroscopic and high temperature properties of lithium borophosphate glasses were determined in this contribution. Our data, obtained on 50Li2O-xB2O3-(50-x)P2O5 glasses, confirm a continuous and linear increase of the glass transition temperature with the B/P substitution but show a two-domain evolution of the kinetic fragility with a steep decrease in the low B2O3 region (0 ≤ x ≤ 10) followed by a moderate increase for higher B2O3 contents. In order to understand this different behaviour, the glass structure was investigated in detail using 1D and 2D (11)B/(31)P correlation solid state nuclear magnetic resonance. The local and medium orders of borate units were determined by 1D MAS-NMR, 2D (11)B DQSQ- and (11)B((31)P) D-HMQC NMR experiments. The latter NMR technique was also used to deeply interpret the 1D (31)P MAS-NMR spectra. Altogether the data allow (i) highlighting of the presence of four borate and seven phosphate units, (ii) evaluation of the number of homopolar POP and mixed POB linkages, and (iii) contribute to a better understanding of the Tg and kinetic fragility evolution.

  4. Structural and magnetic properties of DyMn(2)D(6) synthesized under high deuterium pressure.

    PubMed

    Paul-Boncour, V; Filipek, S M; Wierzbicki, R; André, G; Bourée, F; Guillot, M

    2009-01-07

    DyMn(2)D(6) has been prepared by applying high gaseous deuterium pressure on DyMn(2). This phase is isostructural with other RMn(2)D(6) (R = Y, Er) compounds and crystallizes with a K(2)PtCl(6) type structure having an ordered anion and a partially disordered cation arrangement because Dy and half the Mn atoms are randomly substituted in the same 8c site. The reverse susceptibility follows a Curie-Weiss law with an effective moment of 10 μ(B) similar to that of DyMn(2). Short range magnetic order, corresponding to ferromagnetic correlations, is observed in the neutron patterns up to 10 K and can be attributed to Dy-Dy interactions. The decomposition of the deuteride into Mn and DyD(2), studied by thermal gravimetric analysis, occurs between 470 and 650 K. A further deuterium desorption takes place above 920 K.

  5. Reorientation of the Stripe Phase of 2D Electrons by a Minute Density Modulation

    NASA Astrophysics Data System (ADS)

    Mueed, M. A.; Hossain, Md. Shafayat; Pfeiffer, L. N.; West, K. W.; Baldwin, K. W.; Shayegan, M.

    2016-08-01

    Interacting two-dimensional electrons confined in a GaAs quantum well exhibit isotropic transport when the Fermi level resides in the first excited (N =1 ) Landau level. Adding an in-plane magnetic field (B||) typically leads to an anisotropic, stripelike (nematic) phase of electrons with the stripes oriented perpendicular to the B|| direction. Our experimental data reveal how a periodic density modulation, induced by a surface strain grating from strips of negative electron-beam resist, competes against the B||-induced orientational order of the stripe phase. Even a minute (<0.25 %) density modulation is sufficient to reorient the stripes along the direction of the surface grating.

  6. Structure and interaction in 2D assemblies of tobacco mosaic viruses

    SciTech Connect

    Yang, L.; Wang. S.; Masafumi, F.; Checco, A.; Zhongwei, N.; Wang, Q.

    2009-08-27

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca2+ ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  7. Structure and Interaction in 2D Assemblies of Tobacco Mosaic Viruses

    SciTech Connect

    Fukuto, M.; Yang, L.; Wang, S.; Fukuto, M.; Checco, A.; Niu, Z.; Wang, Q.

    2009-12-07

    We created two-dimensional (2D) assemblies of tobacco mosaic viruses (TMVs) and characterized their structures using Atomic Force Microscopy (AFM) and X-ray scattering. The TMVs were adsorbed on an oppositely charged, fluid lipid monolayer supported by a solid substrate and submerged in a buffer solution. The lipid monolayer confined the viral particles within a plane, while providing them with lateral mobility so that overall the TMV assembly behaved like a 2D liquid. We controlled the inter-particle interaction by adjusting the chemical condition in the buffer to induce ordered TMV assemblies. We found that the presence of the lipid layer was essential for forming ordered TMV assemblies. Packed TMV assemblies formed on the lipid layer, with an average inter-particle spacing of 42 nm. By introducing Ca{sup 2+} ions into the buffer solution, we were able to improve the in-plane order within the TMV assemblies and reduce the average inter-particle spacing to 20 nm, compared to the TMV diameter of 18 nm. Quantitative analysis of the X-ray scattering data shows that the structural order within the TMV assemblies prepared under a Ca{sup 2+}-free buffer solution is consistent with purely repulsive, electrostatic inter-particle interaction. In contrast, the structural order within Ca{sup 2+}-induced TMV assemblies is consistent with the behavior of a fluid of sticky rods, implying the presence of a strong attraction between TMVs. In addition to the screening of Coulomb repulsion, this behavior is likely the result of counterion-induced as well as membrane-mediated attractions.

  8. Carriers In 2D-Semiconductor Structures: A Scanning Capacitance Microscopy Study

    NASA Astrophysics Data System (ADS)

    Anand, S.; Maknys, K.; Douhéret, O.

    2003-12-01

    In this work, cross-sectional scanning capacitance microscopy (SCM) is used to investigate electrons in InGaAs/InP (latticed matched) quantum wells. Using n-doped InP as barriers with different doping levels, different InGaAs wells structures (5,10 and 20nm) were investigated. The capability of SCM to detect electrons in the quantum wells is demonstrated. In addition, trends for the different well widths and barrier doping levels are discussed. The SCM results are qualitatively consistent with electron distribution obtained for 1D Poisson/Schrödinger simulation. Finally, resolution issues in SCM are discussed in terms of tip averaging effects.

  9. 2D-ELDOR study of heterogeneity and domain structure changes in plasma membrane vesicles upon cross-linking of receptors.

    PubMed

    Chiang, Yun-Wei; Costa-Filho, Antonio J; Baird, Barbara; Freed, Jack H

    2011-09-08

    2D electron-electron double resonance (2D-ELDOR) with the "full Sc-" method of analysis is applied to the study of plasma membrane vesicles. Membrane structural changes upon antigen cross-linking of IgE receptors (IgE-FcεRI) in plasma membrane vesicles (PMVs) isolated from RBL-2H3 mast cells are investigated, for the first time, by means of these 2D-ELDOR techniques. Spectra of 1-palmitoyl-2-(16-doxyl stearoyl) phosphatidylcholine (16-PC) from PMVs before and after this stimulation at several temperatures are reported. The results demonstrate a coexistence of liquid-ordered (L(o)) and liquid-disordered (L(d)) components. We find that upon cross-linking, the membrane environment is remodeled to become more disordered, as shown by a moderate increase in the population of the L(d) component. This change in the relative amount of the L(o) versus L(d) components upon cross-linking is consistent with a model wherein the IgE receptors, which when clustered by antigen to cause cell stimulation, lead to more disordered lipids, and their dynamic and structural properties are slightly altered. This study demonstrates that 2D-ELDOR, analyzed by the full Sc- method, is a powerful approach for capturing the molecular dynamics in biological membranes. This is a particular case showing how 2D-ELDOR can be applied to study physical processes in complex systems that yield subtle changes.

  10. Growth of Large and Highly Ordered 2D Crystals of a K+ Channel, Structural Role of Lipidic Environment

    PubMed Central

    De Zorzi, Rita; Nicholson, William V.; Guigner, Jean-Michel; Erne-Brand, Françoise; Vénien-Bryan, Catherine

    2013-01-01

    2D crystallography has proven to be an excellent technique to determine the 3D structure of membrane proteins. Compared to 3D crystallography, it has the advantage of visualizing the protein in an environment closer to the native one. However, producing good 2D crystals is still a challenge and little statistical knowledge can be gained from literature. Here, we present a thorough screening of 2D crystallization conditions for a prokaryotic inwardly rectifying potassium channel (>130 different conditions). Key parameters leading to very large and well-organized 2D crystals are discussed. In addition, the problem of formation of multilayers during the growth of 2D crystals is also addressed. An intermediate resolution projection map of KirBac3.1 at 6 Å is presented, which sheds (to our knowledge) new light on the structure of this channel in a lipid environment. PMID:23870261

  11. Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

    NASA Astrophysics Data System (ADS)

    Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

    2016-09-01

    The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

  12. Electron capture and excitation in collisions of O+ ( 4S , 2D , 2P ) with H2 molecules

    NASA Astrophysics Data System (ADS)

    Pichl, Lukáš; Li, Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-06-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O+ ions both in ground state O+ ( 4S ) and metastable states O+* ( 2D ) and O+* ( 2P ) in collisions with the H2 molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu ), the experimental data vary by orders of magnitude: our results smoothly connect to the data by FleschNg, J. Chem. Phys.9419912372 and Xuet al., J. Phys. B2319901235 at low energy and agree with Phaneufet al., Phys. Rev. A171978534 in the high-energy region. The present values differ from Sieglaffet al., Phys. Rev. A5919993538 and Nuttet al., J. Phys. B121979L157, especially in the energy region below 1 keV/amu . We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O+ ( 4S , 2D , 2P )- H2 collision system.

  13. Infrared Spectrum of the CS_2 Tetramer: Observation of a Structure with D_{2d} Symmetry

    NASA Astrophysics Data System (ADS)

    Rezaei, M.; Oliaee, J. Norooz; Moazzen-Ahmadi, N.; McKellar, A. R. W.

    2013-06-01

    Infrared spectra of carbon disulphide clusters are studied in the region of the CS_2 ν_3 fundamental band (˜1535 cm^{-1}), using a tuneable diode laser to probe a pulsed supersonic slit jet expansion. A symmetric rotor parallel band at 1551.438 cm^{-1} is assigned to CS_2 tetramer. The likely structure is a staggered and tilted barrel with D_{2d} symmetry, similar to the previously observed oblate tetramer of nitrous oxide, in reasonable agreement with that calculated from an empirical CS_2 intermolecular potential function. This is the first high-resolution spectroscopic detection of CS_2 tetramer, and the calculations suggest that there could be other lower energy isomers of (CS_2)_4 which are not yet observed.

  14. Infrared spectrum of the CS2 tetramer: Observation of a structure with D2d symmetry

    NASA Astrophysics Data System (ADS)

    Rezaei, M.; Norooz Oliaee, J.; Moazzen-Ahmadi, N.; McKellar, A. R. W.

    2013-05-01

    Infrared spectra of carbon disulfide clusters are studied in the region of the CS2 ν3 fundamental band (≈1535 cm-1), using a tuneable diode laser to probe a pulsed supersonic slit jet expansion. A symmetric rotor parallel band at 1551.438 cm-1 is assigned to CS2 tetramer. The likely structure is a staggered and tilted barrel with D2d symmetry, similar to the previously observed oblate tetramer of nitrous oxide, and in reasonable agreement with that calculated from an empirical CS2 intermolecular potential function. This is the first high-resolution spectroscopic detection of CS2 tetramer, and the calculations suggest that there could be other low energy isomers of (CS2)4 which are not yet observed.

  15. Homogeneity and packing structure of a 2D sheared granular system

    NASA Astrophysics Data System (ADS)

    Ren, Jie; Dijksman, Joshua; Behringer, Robert P.

    2013-06-01

    This work focuses on the homogeneity and packing structure in a 2D granular system subjected to a novel bottom-assisted shear. While traditional boundary-driven shear experiments always induce inhomogeneities in the form of localized shear bands, our novel shear apparatus successfully prevents the formation of shear bands by incorporating a controlled deformable base and creatively utilizing the particle-base friction. We studied homogeneity of this sheared granular system using both non-affine particle displacements and the coarse-grained density field. Both methods present signatures of a homogeneous system, even under large amounts of shear. By applying Voronoi tesselation to the packing, we also determined local densities on the particle scale. The statistics of this Voronoi density are then studied, and under a simple scaling, a collapse of the local density distribution is found for different shear strains and different densities.

  16. The effect of hydrazine intercalation on the structure and capacitance of 2D titanium carbide (MXene)

    SciTech Connect

    Mashtalir, O.; Lukatskaya, Maria R.; Kolesnikov, Alexander I.; Raymundo-Pinero, E.; Naguib, Michael; Barsoum, M. W.; Gogotsi, Yury G.

    2016-03-25

    Herein we show that hydrazine intercalation into 2D titanium carbide (Ti3C2-based MXene) results in changes in its surface chemistry by decreasing the amounts of fluorine, OH surface groups and intercalated water. It also creates a pillaring effect between Ti3C2Tx layers pre-opening the structure and improving the accessability to active sites. Furthermore, the hydrazine treated material has demonstrated a greatly improved capacitance of 250 F g–1 in acidic electrolytes with an excellent cycling ability for electrodes as thick as 75 μm.

  17. Angle-resolved 2D imaging of electron emission processes in atoms and molecules

    SciTech Connect

    Kukk, E.; Wills, A.A.; Langer, B.; Bozek, J.D.; Berrah, N.

    2004-09-02

    A variety of electron emission processes have been studied in detail for both atomic and molecular systems, using a highly efficient experimental system comprising two time-of-flight (TOF) rotatable electron energy analyzers and a 3rd generation synchrotron light source. Two examples are used here to illustrate the obtained results. Firstly, electron emissions in the HCL molecule have been mapped over a 14 eV wide photon energy range over the Cl 2p ionization threshold. Particular attention is paid to the dissociative core-excited states, for which the Auger electron emission shows photon energy dependent features. Also, the evolution of resonant Auger to the normal Auger decay distorted by post-collision interaction has been observed and the resonating behavior of the valence photoelectron lines studied. Secondly, an atomic system, neon, in which excitation of doubly excited states and their subsequent decay to various accessible ionic states has been studied. Since these processes only occurs via inter-electron correlations, the many body dynamics of an atom can be probed, revealing relativistic effects, surprising in such a light atom. Angular distribution of the decay of the resonances to the parity unfavored continuum exhibits significant deviation from the LS coupling predictions.

  18. A novel simple procedure to consider seismic soil structure interaction effects in 2D models

    NASA Astrophysics Data System (ADS)

    Jaramillo, Juan Diego; Gómez, Juan David; Restrepo, Doriam; Rivera, Santiago

    2014-09-01

    A method is proposed to estimate the seismic soil-structure-interaction (SSI) effects for use in engineering practice. It is applicable to 2D structures subjected to vertically incident shear waves supported by homogenous half-spaces. The method is attractive since it keeps the simplicity of the spectral approach, overcomes some of the difficulties and inaccuracies of existing classical techniques and yet it considers a physically consistent excitation. This level of simplicity is achieved through a response spectra modification factor that can be applied to the free-field 5%-damped response spectra to yield design spectral ordinates that take into account the scattered motions introduced by the interaction effects. The modification factor is representative of the Transfer Function (TF) between the structural relative displacements and the free-field motion, which is described in terms of its maximum amplitude and associated frequency. Expressions to compute the modification factor by practicing engineers are proposed based upon a parametric study using 576 cases representative of actual structures. The method is tested in 10 cases spanning a wide range of common fundamental vibration periods.

  19. Thermopower of a 2D Electron Gas in Suspended AlGaAs/GaAs Heterostructures

    NASA Astrophysics Data System (ADS)

    Schmidt, M.; Schneider, G.; Heyn, Ch.; Stemmann, A.; Hansen, W.

    2012-06-01

    We present thermopower measurements on a high electron mobility two-dimensional electron gas (2DEG) in a thin suspended membrane. We show that the small dimension of the membrane substantially reduces the thermal conductivity compared with bulk material so that it is possible to establish a strong thermal gradient along the 2DEG even over a distance of a few micrometers. We find that the zero-field thermopower is significantly affected by the micropatterning. In contrast to 2DEGs incorporated in a bulk material, the diffusion contribution to the thermopower remains dominant up to temperature of 7 K, until the phonon drag becomes strong and governs the thermopower. We also find that the coupling between electrons and phonons in the phonon-drag regime is due to screened deformation potentials, in contrast to the piezoelectric coupling found for bulk phonons.

  20. Single crystal diamond boron 'delta doped' nanometric layers for 2D electronic devices (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    Butler, James

    2016-10-01

    Use of diamond as a semiconductor material suffers from the high activation energy of all known impurity dopants (0.37 eV for Boron, 0.6 eV for Phosphorous). To achieve the simultaneous carrier concentration and mobility desired for devices operating at room temperature, growth of a nanometric thick `delta' layer doped to above the metal insulator transition adjacent to high mobility intrinsic material can provide a 2D high mobility conduction layer. Critical to obtaining the enhanced mobility of the carriers in the layer next to the `delta' doped layer is the abruptness of the doping interface. Single and multiple nanometer thick epitaxial layers of heavily boron `delta' doped diamond have been grown on high quality, intrinsic lab grown diamond single crystals. These layers were grown in a custom microwave plasma activated chemical vapor deposition reactor based on a rapid reactant switching technique. Characterization of the `delta' layers by various analytical techniques will be presented. Electrical measurements demonstrating enhanced hole mobility (100 to 800 cm2/V sec) as well as other electrical characterizations will be presented.

  1. Electronic Transport Properties of New 2-D Materials GeH and NaSn2As2

    NASA Astrophysics Data System (ADS)

    He, Bin; Cultrara, Nicholas; Arguilla, Maxx; Goldberger, Joshua; Heremans, Joseph

    2-D materials potentially have superior thermoelectric properties compared to traditional 3-D materials due to their layered structure. Here we present electrical and thermoelectric transport properties of 2 types of 2-D materials, GeH and NaSn2As2. GeH is a graphane analog which is prepared using chemical exfoliation of CaGe2 crystals. Intrinsic GeH is proven to be a highly resistive material at room temperature. Resistance and Seebeck coefficient of Ga doped GeH are measured in a cryostat with a gating voltage varying from -100V to 100V. NaSn2As2 is another 2-D system, with Na atom embedded between nearly-2D Sn-As layers. Unlike GeH, NaSn2As2 is a metal based of Hall measurements, with p-type behavior, and with van der Pauw resistances on the order of 5m Ω/square. Thermoelectric transport properties of NaSn2As2 will be reported. This work is support by the NSF EFRI-2DARE project EFRI-1433467.

  2. Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials

    NASA Astrophysics Data System (ADS)

    Zhang, Leili; Feng, Mei; Zhou, Ruhong; Luan, Binquan

    2017-09-01

    A globular protein’s folded structure in its physiological environment is largely determined by its amino acid sequence. Recently, newly discovered transformer proteins as well as intrinsically disordered proteins may adopt the folding-upon-binding mechanism where their secondary structures are highly dependent on their binding partners. Due to the various applications of nanomaterials in biological sensors and potential wearable devices, it is important to discover possible conformational changes of proteins on nanomaterials. Here, through molecular dynamics simulations, we show that the first 17 residues of the huntingtin protein (HTT-N17) exhibit appreciable differences during its folding on 2D-nanomaterials, such as graphene and MoS2 nanosheets. Namely, the protein is disordered on the graphene surface but is helical on the MoS2 surface. Despite that the amphiphilic environment at the nanosheet-water interface promotes the folding of the amphipathic proteins (such as HTT-N17), competitions between protein-nanosheet and intra-protein interactions yield very different protein conformations. Therefore, as engineered binding partners, nanomaterials might significantly affect the structures of adsorbed proteins.

  3. Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials.

    PubMed

    Zhang, Leili; Feng, Mei; Zhou, Ruhong; Luan, Binquan

    2017-09-01

    A globular protein's folded structure in its physiological environment is largely determined by its amino acid sequence. Recently, newly discovered transformer proteins as well as intrinsically disordered proteins may adopt the folding-upon-binding mechanism where their secondary structures are highly dependent on their binding partners. Due to the various applications of nanomaterials in biological sensors and potential wearable devices, it is important to discover possible conformational changes of proteins on nanomaterials. Here, through molecular dynamics simulations, we show that the first 17 residues of the huntingtin protein (HTT-N17) exhibit appreciable differences during its folding on 2D-nanomaterials, such as graphene and MoS2 nanosheets. Namely, the protein is disordered on the graphene surface but is helical on the MoS2 surface. Despite that the amphiphilic environment at the nanosheet-water interface promotes the folding of the amphipathic proteins (such as HTT-N17), competitions between protein-nanosheet and intra-protein interactions yield very different protein conformations. Therefore, as engineered binding partners, nanomaterials might significantly affect the structures of adsorbed proteins.

  4. Methods to determine the Orientation and Velocity of 2-D structures based on multi- spacecraft data

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Pu, Z.; Zhou, X.; Wang, J.; Zong, Q.; Shi, Q.

    2006-12-01

    Many techniques have been developed to study the axial orientation and/or velocity of 2-D structures (flux ropes), by analyzing in situ data from single or multiple spacecraft. To obtain the axial orientation, there are magnetic based MVA (BMVA), current based MVA (CMVA), Minimum Direction Derivative (MDD) and Multiple Triangulation Analysis (MTA) as a modified version of timing method. To further calculate the velocity, we have DeHoffmann-Teller analysis, Spatio-Temporal Difference (STD) and several version of timing method including MTA. After a brief introduction on the principle of these methods, we theoretically estimate their error ranges based on modeled structures to examine the validity of these techniques. Because of their different principles, their error bars are shown to be distinct, depending on the parameters (such as radius, model selected and even the satellite crossing path) of the certain structure. The error estimation thus provides us some clue on the selection of methods under different conditions. Some real events are further analyzed using these techniques as the example.

  5. Structure Integral Transform Versus Radon Transform: A 2D Mathematical Tool for Invariant Shape Recognition.

    PubMed

    Wang, Bin; Gao, Yongsheng

    2016-12-01

    In this paper, we present a novel mathematical tool, Structure Integral Transform (SIT), for invariant shape description and recognition. Different from the Radon Transform (RT), which integrates the shape image function over a 1D line in the image plane, the proposed SIT builds upon two orthogonal integrals over a 2D K -cross dissecting structure spanning across all rotation angles by which the shape regions are bisected in each integral. The proposed SIT brings the following advantages over the RT: 1) it has the extra function of describing the interior structural relationship within the shape which provides a more powerful discriminative ability for shape recognition; 2) the shape regions are dissected by the K -cross in a coarse to fine hierarchical order that can characterize the shape in a better spatial organization scanning from the center to the periphery; and 3) it is easier to build a completely invariant shape descriptor. The experimental results of applying SIT to shape recognition demonstrate its superior performance over the well-known Radon transform, and the well-known shape contexts and the polar harmonic transforms.

  6. The Euler-Maxwell System for Electrons: Global Solutions in 2 D

    NASA Astrophysics Data System (ADS)

    Deng, Yu; Ionescu, Alexandru D.; Pausader, Benoit

    2017-08-01

    A basic model for describing plasma dynamics is given by the Euler-Maxwell system, in which compressible ion and electron fluids interact with their own self-consistent electromagnetic field. In this paper we consider the "one-fluid" Euler-Maxwell model for electrons, in 2 spatial dimensions, and prove global stability of a constant neutral background. In 2 dimensions our global solutions have relatively slow (strictly less than 1/ t) pointwise decay and the system has a large (codimension 1) set of quadratic time resonances. The issue in such a situation is to solve the "division problem". To control the solutions we use a combination of improved energy estimates in the Fourier space, an L 2 bound on an oscillatory integral operator, and Fourier analysis of the Duhamel formula.

  7. Structure Relations and Darboux Contractions for 2D 2nd Order Superintegrable Systems

    NASA Astrophysics Data System (ADS)

    Heinonen, Robin; Kalnins, Ernest G.; Miller, Willard, Jr.; Subag, Eyal

    2015-06-01

    Two-dimensional quadratic algebras are generalizations of Lie algebras that include the symmetry algebras of 2nd order superintegrable systems in 2 dimensions as special cases. The superintegrable systems are exactly solvable physical systems in classical and quantum mechanics. Distinct superintegrable systems and their quadratic algebras can be related by geometric contractions, induced by Inönü-Wigner type Lie algebra contractions. These geometric contractions have important physical and geometric meanings, such as obtaining classical phenomena as limits of quantum phenomena as hbar to 0 and nonrelativistic phenomena from special relativistic as cto ∞, and the derivation of the Askey scheme for obtaining all hypergeometric orthogonal polynomials as limits of Racah/Wilson polynomials. In this paper we show how to simplify the structure relations for abstract nondegenerate and degenerate quadratic algebras and their contractions. In earlier papers we have classified contractions of 2nd order superintegrable systems on constant curvature spaces and have shown that all results are derivable from free quadratic algebras contained in the enveloping algebras of the Lie algebras e(2,C) in flat space and o(3,C) on nonzero constant curvature spaces. The quadratic algebra contractions are induced by generalizations of Inönü-Wigner contractions of these Lie algebras. As a special case we obtained the Askey scheme for hypergeometric orthogonal polynomials. After constant curvature spaces, the 4 Darboux spaces are the 2D manifolds admitting the most 2nd order Killing tensors. Here we complete this theoretical development for 2D superintegrable systems by showing that the Darboux superintegrable systems are also characterized by free quadratic algebras contained in the symmetry algebras of these spaces and that their contractions are also induced by Inönü-Wigner contractions. We present tables of the contraction results.

  8. Fringe structures and tunable bandgap width of 2D boron nitride nanosheets.

    PubMed

    Feng, Peter; Sajjad, Muhammad; Li, Eric Yiming; Zhang, Hongxin; Chu, Jin; Aldalbahi, Ali; Morell, Gerardo

    2014-01-01

    We report studies of the surface fringe structures and tunable bandgap width of atomic-thin boron nitride nanosheets (BNNSs). BNNSs are synthesized by using digitally controlled pulse deposition techniques. The nanoscale morphologies of BNNSs are characterized by using scanning electron microscope (SEM), and transmission electron microscopy (TEM). In general, the BNNSs appear microscopically flat in the case of low temperature synthesis, whereas at high temperature conditions, it yields various curved structures. Experimental data reveal the evolutions of fringe structures. Functionalization of the BNNSs is completed with hydrogen plasma beam source in order to efficiently control bandgap width. The characterizations are based on Raman scattering spectroscopy, X-ray diffraction (XRD), and FTIR transmittance spectra. Red shifts of spectral lines are clearly visible after the functionalization, indicating the bandgap width of the BNNSs has been changed. However, simple treatments with hydrogen gas do not affect the bandgap width of the BNNSs.

  9. Computational Study and Analysis of Structural Imperfections in 1D and 2D Photonic Crystals

    SciTech Connect

    Maskaly, Karlene Rosera

    2005-06-01

    increasing RMS roughness. Again, the homogenization approximation is able to predict these results. The problem of surface scratches on 1D photonic crystals is also addressed. Although the reflectivity decreases are lower in this study, up to a 15% change in reflectivity is observed in certain scratched photonic crystal structures. However, this reflectivity change can be significantly decreased by adding a low index protective coating to the surface of the photonic crystal. Again, application of homogenization theory to these structures confirms its predictive power for this type of imperfection as well. Additionally, the problem of a circular pores in 2D photonic crystals is investigated, showing that almost a 50% change in reflectivity can occur for some structures. Furthermore, this study reveals trends that are consistent with the 1D simulations: parameter changes that increase the absolute reflectivity of the photonic crystal will also increase its tolerance to structural imperfections. Finally, experimental reflectance spectra from roughened 1D photonic crystals are compared to the results predicted computationally in this thesis. Both the computed and experimental spectra correlate favorably, validating the findings presented herein.

  10. Negative huge magnetoresistance in high-mobility 2D electron gases: DC-current dependence

    NASA Astrophysics Data System (ADS)

    Iñarrea, J.; Bockhorn, L.; Haug, R. J.

    2016-07-01

    Two-dimensional electron gases with very high mobility show a huge or giant negative magnetoresistance at low temperatures and low magnetic fields. We present an experimental and theoretical work on the influence of the applied current on the negative huge magnetoresistance of these systems. We obtain an unexpected and strong nonlinear behavior consisting in an increase of the negative huge magnetoresistance with increasing current, in other words, for increasing current the magnetoresistance collapses at small magnetic fields. This nonlinearity is explained by the subtle interplay of elastic scattering within Landau levels and between Landau levels.

  11. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal

    NASA Astrophysics Data System (ADS)

    Jiang, B.-Y.; Ni, G. X.; Pan, C.; Fei, Z.; Cheng, B.; Lau, C. N.; Bockrath, M.; Basov, D. N.; Fogler, M. M.

    2016-08-01

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  12. Tunable Plasmonic Reflection by Bound 1D Electron States in a 2D Dirac Metal.

    PubMed

    Jiang, B-Y; Ni, G X; Pan, C; Fei, Z; Cheng, B; Lau, C N; Bockrath, M; Basov, D N; Fogler, M M

    2016-08-19

    We show that the surface plasmons of a two-dimensional Dirac metal such as graphene can be reflected by linelike perturbations hosting one-dimensional electron states. The reflection originates from a strong enhancement of the local optical conductivity caused by optical transitions involving these bound states. We propose that the bound states can be systematically created, controlled, and liquidated by an ultranarrow electrostatic gate. Using infrared nanoimaging, we obtain experimental evidence for the locally enhanced conductivity of graphene induced by a carbon nanotube gate, which supports this theoretical concept.

  13. Quantitative 2D HSQC NMR determination of polymer structures by selecting suitable internal standard references.

    PubMed

    Zhang, Liming; Gellerstedt, Göran

    2007-01-01

    A new analytical method based on the 2D HSQC NMR sequence is presented, which can be applied for quantitative structural determination of complicated polymers. The influence of T1 and T2 relaxations, off-resonance effects, coupling constants and homonuclear couplings are discussed. It was found that the T2 values measured on polymeric samples with the conventional HSQC-CPMG sequence could not be used to correct the errors caused by T2 relaxations during the polarization transfer delay. A unique way of selecting the proper internal standard reference signal(s) is therefore proposed to eliminate the major errors caused by T2 relaxations, resonance offsets, coupling constant deviations and homonuclear couplings. Two polymer samples, a cellulose triacetate and an acetylated lignin, have been used to illustrate the principles. The methodology developed in this work is robust to instrument miss-setting and it can find wide-spread applications in areas where a quantitative analysis of structurally complicated polymers is necessary.

  14. Optimization of hybrid organic-inorganic interdigitated photovoltaic device structure using a 2D diffusion model.

    PubMed

    Krali, Emiljana; Curry, Richard J

    2011-04-26

    To improve the efficiency of organic photovoltaic devices the inclusion of semiconducting nanoparticles such as PbS has been used to enhance near-infrared absorption. Additionally the use of interdigitated heterojunctions has been explored as a means of improving charge extraction. In this paper we provide a two-dimensional model taking into account these approaches with the aim of predicting an optimized device geometry to maximize the efficiency. The steady-state exciton population has been calculated in each of the active regions taking into account the full optical response based on using a finite difference approach to obtain approximate numerical solutions to the 2D exciton diffusion equation. On the basis of this we calculate the contribution of each active material to the device short circuit current and power conversion efficiency. We show that optimized structures can lead to power conversions efficiencies of ∼50% compared to a maximum of ∼17% for planar heterojunction devices. To achieve this the interdigitated region thickness should be ∼800 nm with PbS and C(60) widths of ∼60 and 20 nm, respectively. Even modest nanopatterning using much thinner active regions provides improvements in efficiency and may be approached using a variety of methods including nanoimprinting lithography, nanotemplating, or the incorporation of presynthesized nanorod structures.

  15. Hydrothermal Synthesis, Crystal Structure and Electrochemical Behavior of 2d Hybrid Coordination Polymer

    NASA Astrophysics Data System (ADS)

    Fan, Weiqiang; Zhu, Lin; Shi, Weidong; Chen, Fuxiao; Bai, Hongye; Song, Shuyan; Yan, Yongsheng

    2013-04-01

    A novel metal-organic coordination polymer [Cu(phen)(L)0.5(H2O)]n (H4L = (N,N‧-5,5‧-bis(isophthalic acid)-p-xylylenediamine, and phen = 1,10-phenanthroline) has been hydrothermally synthesized and characterized by elemental analysis, IR, TGA, and single-crystal X-ray diffraction. The crystallographic data show that the title compound crystallizes in monoclinic space group P21/n with a = 10.682(2), b = 15.682(3), c = 11.909(2) Å, β = 91.39(3)°, V = 1994.3(7) Å3, C24H17CuN3O5, Mr = 490.95, Dc = 1.635 g/cm3, F(000) = 1004, Z = 4, μ(MoKα) = 1.141 mm-1, the final R = 0.0418 and wR = 0.0983 for 3578 observed reflections (I > 2σ(I)). The structural analyses reveal that the title compound exhibits shows a 2D layer structure, which are further linked by hydrogen bonding interactions to form a three-dimensional supramolecular network. In addition, the thermal stability and electrochemical behavior of title compound has been studied. CCDC: 900413.

  16. Electron dose distributions in experimental phantoms: a comparison with 2D pencil beam calculations.

    PubMed

    Cygler, J; Battista, J J; Scrimger, J W; Mah, E; Antolak, J

    1987-09-01

    Dose distributions were measured and computed within inhomogeneous phantoms irradiated with beams of electrons having initial energies of 10 and 18 MeV. The measurements were made with a small p-type silicon diode and the calculations were performed using the pencil beam algorithm developed originally at the M D Anderson Hospital (MDAH). This algorithm, which is available commercially on many radiotherapy planning computers, is based on the Fermi-Eyges theory of electron transport. The phantoms used in this work were composed of water into which two- and three-dimensional inhomogeneities of aluminum and air (embedded in wax) were introduced. This was done in order to simulate the small bones and the air cavities encountered clinically in radiation therapy of the chest wall or neck. Our intent was to test the adequacy of the two-dimensional implementation of the pencil beam approach. The agreement between measured and computed doses is very good for inhomogeneities which are essentially two-dimensional but discrepancies as large as 40% were observed for more complex three-dimensional inhomogeneities. We can only trace the discrepancies to the complex interplay of numerous approximations in the Fermi-Eyges theory of multiple scattering and its adaptation for practical computer-aided radiotherapy planning.

  17. Probing the 2-D kinematic structure of early-type galaxies out to 3 effective radii

    NASA Astrophysics Data System (ADS)

    Proctor, Robert N.; Forbes, Duncan A.; Romanowsky, Aaron J.; Brodie, Jean P.; Strader, Jay; Spolaor, Max; Mendel, J. Trevor; Spitler, Lee

    2010-11-01

    We detail an innovative new technique for measuring the 2-D velocity moments (rotation velocity, velocity dispersion and Gauss-Hermite coefficients h3 and h4) using spectra from Keck DEIMOS multi-object spectroscopic observations. The data are used to reconstruct 2-D rotation velocity maps.

  18. Electron Structure of Francium

    NASA Astrophysics Data System (ADS)

    Koufos, Alexander

    2012-02-01

    This talk presents the first calculations of the electronic structure of francium for the bcc, fcc and hcp structures, using the Augmented Plane Wave (APW) method in its muffin-tin and linearized general potential forms. Both the Local Density Approximation (LDA) and Generalized Gradient Approximation (GGA), were used to calculate the electronic structure and total energy of francium (Fr). The GGA and LDA both found the total energy of the hcp structure slightly below that of the fcc and bcc structure, respectively. This is in agreement with similar results for the other alkali metals using the same methodology. The equilibrium lattice constant, bulk modulus and superconductivity parameters were calculated. We found that under pressures, in the range of 1-5 GPa, Fr could be a superconductor at a critical temperature of about 4K.

  19. Electron radiation damage mechanisms in 2D MoSe2

    NASA Astrophysics Data System (ADS)

    Lehnert, T.; Lehtinen, O.; Algara-Siller, G.; Kaiser, U.

    2017-01-01

    The contributions of different damage mechanisms in single-layer MoSe2 were studied by investigating different MoSe2/graphene heterostructures by the aberration-corrected high-resolution transmission electron microscopy (AC-HRTEM) at 80 keV. The damage cross-sections were determined by direct counting of atoms in the AC-HRTEM images. The contributions of damage mechanisms such as knock-on damage or ionization effects were estimated by comparing the damage rates in different heterostructure configurations, similarly to what has been earlier done with MoS2. The behaviour of MoSe2 was found to be nearly identical to that of MoS2, which is an unexpected result, as the knock-on mechanism should be suppressed in MoSe2 due to the high mass of Se, as compared to S.

  20. Quantum magnetotransport in 2D electron gas in InGaAs/InP heterostructures

    NASA Astrophysics Data System (ADS)

    Podor, Balint; Savel'ev, I. G.; Kovacs, Gy.; Remenyi, G.; Gombos, G.; Kreshchuk, A. M.; Novikov, S. V.

    1997-08-01

    Quantum magnetotransport measurements were performed on liquid phase epitaxially grown In0.35Ga0.47As/InP heterostructures at 4.2 K temperature in magnetic fields up to 22 Tesla. Measurements in tilted magnetic field, in conjunction with the analysis of the derivatives with respect to the magnetic field of the magnetoresistance curves, allowed the resolution of spin-splitting of the Landau levels up to N equals 3. The spin-splitting energy ESPIN was deduced for the half-filled Landau levels 0ARDN, 1ARUP, 1ARDN, 2ARUP, and 2$ARDN. The magnetic field dependence of the spin-splitting energy was interpreted using a simple model based on the exchange interaction of the electrons in the spin-splitted Landau levels, incorporating the disorder induced broadening of the Landau levels.

  1. Parallel Finite Element Electron-Photon Transport Analysis on 2-D Unstructured Mesh

    SciTech Connect

    Drumm, C.R.

    1999-01-01

    A computer code has been developed to solve the linear Boltzmann transport equation on an unstructured mesh of triangles, from a Pro/E model. An arbitriwy arrangement of distinct material regions is allowed. Energy dependence is handled by solving over an arbitrary number of discrete energy groups. Angular de- pendence is treated by Legendre-polynomial expansion of the particle cross sections and a discrete ordinates treatment of the particle fluence. The resulting linear system is solved in parallel with a preconditioned conjugate-gradients method. The solution method is unique, in that the space-angle dependence is solved si- multaneously, eliminating the need for the usual inner iterations. Electron cross sections are obtained from a Goudsrnit-Saunderson modifed version of the CEPXS code. A one-dimensional version of the code has also been develop@ for testing and development purposes.

  2. The development and testing of a 2D laboratory seismic modelling system for heterogeneous structure investigations

    NASA Astrophysics Data System (ADS)

    Mo, Yike; Greenhalgh, Stewart A.; Robertsson, Johan O. A.; Karaman, Hakki

    2015-05-01

    Lateral velocity variations and low velocity near-surface layers can produce strong scattered and guided waves which interfere with reflections and lead to severe imaging problems in seismic exploration. In order to investigate these specific problems by laboratory seismic modelling, a simple 2D ultrasonic model facility has been recently assembled within the Wave Propagation Lab at ETH Zurich. The simulated geological structures are constructed from 2 mm thick metal and plastic sheets, cut and bonded together. The experiments entail the use of a piezoelectric source driven by a pulse amplifier at ultrasonic frequencies to generate Lamb waves in the plate, which are detected by piezoelectric receivers and recorded digitally on a National Instruments recording system, under LabVIEW software control. The 2D models employed were constructed in-house in full recognition of the similitude relations. The first heterogeneous model features a flat uniform low velocity near-surface layer and deeper dipping and flat interfaces separating different materials. The second model is comparable but also incorporates two rectangular shaped inserts, one of low velocity, the other of high velocity. The third model is identical to the second other than it has an irregular low velocity surface layer of variable thickness. Reflection as well as transmission experiments (crosshole & vertical seismic profiling) were performed on each model. The two dominant Lamb waves recorded are the fundamental symmetric mode (non-dispersive) and the fundamental antisymmetric (flexural) dispersive mode, the latter normally being absent when the source transducer is located on a model edge but dominant when it is on the flat planar surface of the plate. Experimental group and phase velocity dispersion curves were determined and plotted for both modes in a uniform aluminium plate. For the reflection seismic data, various processing techniques were applied, as far as pre-stack Kirchhoff migration. The

  3. Coherent phenomena in terahertz 2D plasmonic structures: strong coupling, plasmonic crystals, and induced transparency by coupling of localized modes

    NASA Astrophysics Data System (ADS)

    Dyer, Gregory C.; Aizin, Gregory R.; Allen, S. James; Grine, Albert D.; Bethke, Don; Reno, John L.; Shaner, Eric A.

    2014-05-01

    The device applications of plasmonic systems such as graphene and two dimensional electron gases (2DEGs) in III-V heterostructures include terahertz detectors, mixers, oscillators and modulators. These two dimensional (2D) plasmonic systems are not only well-suited for device integration, but also enable the broad tunability of underdamped plasma excitations via an applied electric field. We present demonstrations of the coherent coupling of multiple voltage tuned GaAs/AlGaAs 2D plasmonic resonators under terahertz irradiation. By utilizing a plasmonic homodyne mixing mechanism to downconvert the near field of plasma waves to a DC signal, we directly detect the spectrum of coupled plasmonic micro-resonator structures at cryogenic temperatures. The 2DEG in the studied devices can be interpreted as a plasmonic waveguide where multiple gate terminals control the 2DEG kinetic inductance. When the gate tuning of the 2DEG is spatially periodic, a one-dimensional finite plasmonic crystal forms. This results in a subwavelength structure, much like a metamaterial element, that nonetheless Bragg scatters plasma waves from a repeated crystal unit cell. A 50% in situ tuning of the plasmonic crystal band edges is observed. By introducing gate-controlled defects or simply terminating the lattice, localized states arise in the plasmonic crystal. Inherent asymmetries at the finite crystal boundaries produce an induced transparency-like phenomenon due to the coupling of defect modes and crystal surface states known as Tamm states. The demonstrated active control of coupled plasmonic resonators opens previously unexplored avenues for sensitive direct and heterodyne THz detection, planar metamaterials, and slow-light devices.

  4. Model-based segmentation and quantification of subcellular structures in 2D and 3D fluorescent microscopy images

    NASA Astrophysics Data System (ADS)

    Wörz, Stefan; Heinzer, Stephan; Weiss, Matthias; Rohr, Karl

    2008-03-01

    We introduce a model-based approach for segmenting and quantifying GFP-tagged subcellular structures of the Golgi apparatus in 2D and 3D microscopy images. The approach is based on 2D and 3D intensity models, which are directly fitted to an image within 2D circular or 3D spherical regions-of-interest (ROIs). We also propose automatic approaches for the detection of candidates, for the initialization of the model parameters, and for adapting the size of the ROI used for model fitting. Based on the fitting results, we determine statistical information about the spatial distribution and the total amount of intensity (fluorescence) of the subcellular structures. We demonstrate the applicability of our new approach based on 2D and 3D microscopy images.

  5. Hydrothermal synthesis and structural characterization of two 1-D and 2-D Dawson-based phosphotungstates

    SciTech Connect

    Zhao Junwei; Zheng Shoutian; Liu Wei; Yang Guoyu

    2008-03-15

    Two new Dawson-based phosphotungstates (H{sub 2}en){sub 0.5}H[Cu(en){sub 2}(H{sub 2}O)]{sub 2}{l_brace}[Cu(en){sub 2}]({alpha}{sub 1}-P{sub 2}W{sub 17}CuO{sub 61}){r_brace}.8H{sub 2}O (1) (en=ethylenediamine) and [4,4'-H{sub 2}bpy]{sub 2}{l_brace}[Cu(4,4'-bpy){sub 3}][Cu(4,4'-bpy){sub 4}(H{sub 2}O){sub 2}]{sub 2}[Cu(4,4'-bpy)][{alpha}-P{sub 2}W{sub 1=} 8O{sub 62}]{sub 2}{r_brace}.6H{sub 2}O (2) (4,4'-bpy=4,4'-bipyridine) have been hydrothermally synthesized and structurally characterized. 1 crystallizes in the triclinic space group P-1 with a=11.7626(17), b=13.246(2), c=29.350(5) A, {alpha}=87.355(5), {beta}=79.583(5), {gamma}=66.993(3){sup o}, V=4138.3(11) A{sup 3}, Z=2, GOF=1.089, R{sub 1}=0.0563 and wR{sub 2}=0.1505, whereas 2 belongs to the orthorhombic space group Iba2 with a=22.277(8), b=47.04(2), c=22.153(8) A, V=23215(17) A{sup 3}, Z=4, GOF=1.051, R{sub 1}=0.0627 and wR{sub 2}=0.1477. 1 consists of a 1-D linear chain structure constructed from monocopper{sup II}-substituted Dawson polyoxoanions, while 2 represents the first 2-D sheet-like structure with a (4,4)-connected topological net built up from plenary Dawson-type polyoxoanions and Cu{sup II}-4,4'-bpy complex cations in polyoxometalate chemistry. - Graphical abstract: Two Dawson-based phosphotungstates (H{sub 2}en){sub 0.5}H[Cu(en){sub 2}(H{sub 2}O)]{sub 2}{l_brace}[Cu(en){sub 2}]({alpha}{sub 1}-P{sub 2}W{sub 17}CuO{sub 61}){r_brace}.8H{sub 2}O (1) and [4,4'-H{sub 2}bpy]{sub 2}{l_brace}[Cu(4,4'-bpy){sub 3}][Cu(4,4'-bpy){sub 4}(H{sub 2}O){sub 2}]{sub 2}[Cu(4,4'-bpy)][{alpha}-P{sub 2}W{sub 1=} 8O{sub 62}]{sub 2}{r_brace}.6H{sub 2}O (2) have been hydrothermally synthesized and structurally characterized. 1 consists of a 1-D linear chain structure constructed from monocopper-substituted Dawson polyoxoanions, while 2 represents the first 2-D sheet-like structure with a (4,4)-connected topological net built up from saturated Dawson-type polyoxoanions and Cu{sup II}-4,4'-bpy complex cations in

  6. Guided Lamb wave based 2-D spiral phased array for structural health monitoring of thin panel structures

    NASA Astrophysics Data System (ADS)

    Yoo, Byungseok

    2011-12-01

    In almost all industries of mechanical, aerospace, and civil engineering fields, structural health monitoring (SHM) technology is essentially required for providing the reliable information of structural integrity of safety-critical structures, which can help reduce the risk of unexpected and sometimes catastrophic failures, and also offer cost-effective inspection and maintenance of the structures. State of the art SHM research on structural damage diagnosis is focused on developing global and real-time technologies to identify the existence, location, extent, and type of damage. In order to detect and monitor the structural damage in plate-like structures, SHM technology based on guided Lamb wave (GLW) interrogation is becoming more attractive due to its potential benefits such as large inspection area coverage in short time, simple inspection mechanism, and sensitivity to small damage. However, the GLW method has a few critical issues such as dispersion nature, mode conversion and separation, and multiple-mode existence. Phased array technique widely used in all aspects of civil, military, science, and medical industry fields may be employed to resolve the drawbacks of the GLW method. The GLW-based phased array approach is able to effectively examine and analyze complicated structural vibration responses in thin plate structures. Because the phased sensor array operates as a spatial filter for the GLW signals, the array signal processing method can enhance a desired signal component at a specific direction while eliminating other signal components from other directions. This dissertation presents the development, the experimental validation, and the damage detection applications of an innovative signal processing algorithm based on two-dimensional (2-D) spiral phased array in conjunction with the GLW interrogation technique. It starts with general backgrounds of SHM and the associated technology including the GLW interrogation method. Then, it is focused on the

  7. Monolignol acylation and lignin structure in some nonwoody plants: a 2D NMR study.

    PubMed

    Martínez, Angel T; Rencoret, Jorge; Marques, Gisela; Gutiérrez, Ana; Ibarra, David; Jiménez-Barbero, Jesús; del Río, José C

    2008-11-01

    Lignins from three nonwoody angiosperms were analyzed by 2D NMR revealing important differences in their molecular structures. The Musa textilis milled-wood-lignin (MWL), with a syringyl-to-guaiacyl (S/G) ratio of 9, was strongly acylated (near 85% of side-chains) at the gamma-carbon by both acetates and p-coumarates, as estimated from (1)H-(13)C correlations in C(gamma)-esterified and C(gamma)-OH units. The p-coumarate H(3,5)-C(3,5) correlation signal was completely displaced by acetylation, and disappeared after alkali treatment, indicating that p-coumaric acid was esterified maintaining its free phenolic group. By contrast, the Cannabis sativa MWL (S/G approximately 0.8) was free of acylating groups, and the Agave sisalana MWL (S/G approximately 4) showed high acylation degree (near 80%) but exclusively with acetates. Extensive C(gamma)-acylation results in the absence (in M. textilis lignin) or low abundance (4% in A. sisalana lignin) of beta-beta' resinol linkages, which require free C(gamma)-OH to form the double tetrahydrofuran ring. However, minor signals revealed unusual acylated beta-beta' structures confirming that acylation is produced at the monolignol level, in agreement with chromatographic identification of gamma-acetylated sinapyl alcohol among the plant extractives. In contrast, resinol substructures involved 22% side-chains in the C.sativa MWL. The ratio between beta-beta' and beta-O-4' side-chains in these and other MWL varied from 0.32 in C.sativa MWL to 0.02 in M. textilis MWL, and was inversely correlated with the degree of acylation. The opposite was observed for the S/G ratio that was directly correlated with the acylation degree. Monolignol acylation is discussed as a mechanism potentially involved in the control of lignin structure.

  8. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    NASA Astrophysics Data System (ADS)

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Ishizaki, Akihito; Fleming, Graham R.

    2015-08-01

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the "site-probe response." By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  9. Influence of weak vibrational-electronic couplings on 2D electronic spectra and inter-site coherence in weakly coupled photosynthetic complexes

    SciTech Connect

    Monahan, Daniele M.; Whaley-Mayda, Lukas; Fleming, Graham R.; Ishizaki, Akihito

    2015-08-14

    Coherence oscillations measured in two-dimensional (2D) electronic spectra of pigment-protein complexes may have electronic, vibrational, or mixed-character vibronic origins, which depend on the degree of electronic-vibrational mixing. Oscillations from intrapigment vibrations can obscure the inter-site coherence lifetime of interest in elucidating the mechanisms of energy transfer in photosynthetic light-harvesting. Huang-Rhys factors (S) for low-frequency vibrations in Chlorophyll and Bacteriochlorophyll are quite small (S ≤ 0.05), so it is often assumed that these vibrations influence neither 2D spectra nor inter-site coherence dynamics. In this work, we explore the influence of S within this range on the oscillatory signatures in simulated 2D spectra of a pigment heterodimer. To visualize the inter-site coherence dynamics underlying the 2D spectra, we introduce a formalism which we call the “site-probe response.” By comparing the calculated 2D spectra with the site-probe response, we show that an on-resonance vibration with Huang-Rhys factor as small as S = 0.005 and the most strongly coupled off-resonance vibrations (S = 0.05) give rise to long-lived, purely vibrational coherences at 77 K. We moreover calculate the correlation between optical pump interactions and subsequent entanglement between sites, as measured by the concurrence. At 77 K, greater long-lived inter-site coherence and entanglement appear with increasing S. This dependence all but vanishes at physiological temperature, as environmentally induced fluctuations destroy the vibronic mixing.

  10. Topology, Structure and Functionality: Analysis, Modelling and Experimentation of Dense Granular Deformation in 2D and 3D

    DTIC Science & Technology

    2015-01-05

    Modelling and Experimentation of Dense Granular Defonnation Sb. GRANT NUMBER in 2D and 3D Sc. PROGRAM ELEMENT NUMBER 611102 6. AUTHORS Sd. PROJECT...Structure and Functionality: Analysis,Modelling and Experimentation of Dense Granular Deformation in 2D and 3D Report Title This project, joint with...none) Enter List of papers submitted or published that acknowledge ARO support from the start of the project to the date of this printing . List the

  11. A first principles method to simulate electron mobilities in 2D materials

    NASA Astrophysics Data System (ADS)

    Restrepo, Oscar D.; Krymowski, Kevin E.; Goldberger, Joshua; Windl, Wolfgang

    2014-10-01

    We examine the predictive capabilities of first-principles theoretical methods to calculate the phonon- and impurity-limited electron mobilities for a number of technologically relevant two-dimensional materials in comparison to experiment. The studied systems include perfect graphene, graphane, germanane and MoS2, as well as graphene with vacancies, and hydrogen, gold, and platinum adsorbates. We find good agreement with experiments for the mobilities of graphene (μ = 2 × 105 cm2 V-1s-1) and graphane (μ = 166 cm2 V-1s-1) at room temperature. For monolayer MoS2 we obtain μ = 225 cm2 V-1s-1. This value is higher than what is observed experimentally (0.5-200 cm2 V-1s-1) but is on the same order of magnitude as other recent theoretical results. For bulk MoS2 we obtain μ = 48 cm2 V-1s-1. We obtain a very high mobility of 18 200 cm2 V-1s-1 for single-layer germanane. The calculated reduction in mobility from the different impurities compares well to measurements where experimental data are available, demonstrating that the proposed method has good predictive capabilities and can be very useful for validation and materials design.

  12. Prestack depth migration for complex 2D structure using phase-screen propagators

    SciTech Connect

    Roberts, P.; Huang, Lian-Jie; Burch, C.; Fehler, M.; Hildebrand, S.

    1997-11-01

    We present results for the phase-screen propagator method applied to prestack depth migration of the Marmousi synthetic data set. The data were migrated as individual common-shot records and the resulting partial images were superposed to obtain the final complete Image. Tests were performed to determine the minimum number of frequency components required to achieve the best quality image and this in turn provided estimates of the minimum computing time. Running on a single processor SUN SPARC Ultra I, high quality images were obtained in as little as 8.7 CPU hours and adequate images were obtained in as little as 4.4 CPU hours. Different methods were tested for choosing the reference velocity used for the background phase-shift operation and for defining the slowness perturbation screens. Although the depths of some of the steeply dipping, high-contrast features were shifted slightly the overall image quality was fairly insensitive to the choice of the reference velocity. Our jests show the phase-screen method to be a reliable and fast algorithm for imaging complex geologic structures, at least for complex 2D synthetic data where the velocity model is known.

  13. Transport in vertically stacked hetero-structures from 2D materials

    NASA Astrophysics Data System (ADS)

    Chen, Fan; Ilatikhameneh, Hesameddin; Tan, Yaohua; Valencia, Daniel; Klimeck, Gerhard; Rahman, Rajib

    2017-06-01

    In this work, the transport of tunnel field-effect transistor (TFET) based on vertically stacked hereto-structures from 2D transition metal dichalcogenide (TMD) materials is investigated by atomistic quantum transport simulations. WTe2-MoS2 combination was chosen due to the formation of a broken gap hetero-junction which is desirable for TFETs. There are two assumptions behind the MoS2-WTe2 hetero-junction tight binding (TB) model: 1) lattice registry. 2) The S - Te parameters being the average of the S - S and Te - Te parameters of bilayer MoS2 and WTe2. The computed TB bandstructure of the hetero-junction agrees well with the bandstructure obtained from density functional theory (DFT) in the energy range of interest for transport. NEGF (Non-Equilibrium Green’s Function) equations within the tight binding description is then utilized for device transfer characteristic calculation. Results show 1) energy filtering is the switching mechanism; 2) the length of the extension region is critical for device to turn off; 3) MoS2-WTe2 interlayer TFET can achieve a large on-current of 1000µA/µm with VDD = 0.3V, which suggests interlayer TFET can solve the low ON current problem of TFETs and can be a promising candidate for low power applications.

  14. 2D Non-Separable Block-Lifting Structure and Its Application to M-Channel Perfect Reconstruction Filter Banks for Lossy-to-Lossless Image Coding.

    PubMed

    Suzuki, Taizo; Kudo, Hiroyuki

    2015-12-01

    We propose a 2D non-separable block-lifting structure (2D-NSBL) that is easily formulated from the 1D separable block-lifting structure (1D-SBL) and 2D non-separable lifting structure (2D-NSL). The 2D-NSBL can be regarded as an extension of the 2D-NSL, because a two-channel 2D-NSBL is completely equivalent to a 2D-NSL. We apply the 2D-NSBL to M-channel ( M=2(n), n ∈ N) perfect reconstruction filter banks (PRFBs). The 2D-NSBL-based PRFBs outperform 1D-SBL-based PRFBs at lossy-to-lossless coding, whose image quality is scalable from lossless data to high compressed lossy data, because their rounding errors are reduced by merging many rounding operations.

  15. Strongly interactive 0D/2D hetero-structure of a ZnxCd1-xS nano-particle decorated phosphorene nano-sheet for enhanced visible-light photocatalytic H2 production.

    PubMed

    Ran, Jingrun; Wang, Xiuli; Zhu, Bicheng; Qiao, Shi-Zhang

    2017-08-31

    A novel zero-dimensional (0D)/two-dimensional (2D) hetero-junction of a ZnxCd1-xS nano-particle loaded phosphorene nano-sheet was assembled to achieve highly-efficient visible-light photocatalytic H2 production. Further mechanistic insight into the high performance and strong interaction in this nano-composite provides guidance to design numerous 0D/2D hetero-structures towards various applications in catalysis, electronics and opto-electronics.

  16. 2D and 3D GPR imaging of structural ceilings in historic and existing constructions

    NASA Astrophysics Data System (ADS)

    Colla, Camilla

    2014-05-01

    GPR applications in civil engineering are to date quite diversified. With respect to civil constructions and monumental buildings, detection of voids, cavities, layering in structural elements, variation of geometry, of moisture content, of materials, areas of decay, defects, cracks have been reported in timber, concrete and masonry elements. Nonetheless, many more fields of investigation remain unexplored. This contribution gives an account of a variety of examples of structural ceilings investigation by GPR radar in reflection mode, either as 2D or 3D data acquisition and visualisation. Ceilings have a pre-eminent role in buildings as they contribute to a good structural behaviour of the construction. Primarily, the following functions can be listed for ceilings: a) they carry vertical dead and live loads on floors and distribute such loads to the vertical walls; b) they oppose to external horizontal forces such as wind loads and earthquakes helping to transfer such forces from the loaded element to the other walls; c) they contribute to create the box skeleton and behaviour of a building, connecting the different load bearing walls and reducing the slenderness and flexural instability of such walls. Therefore, knowing how ceilings are made in specific buildings is of paramount importance for architects and structural engineers. According to the type of building and age of construction, ceilings may present very different solutions and materials. Moreover, in existing constructions, ceilings may have been substituted, modified or strengthened due to material decay or to change of use of the building. These alterations may often go unrecorded in technical documentation or technical drawings may be unavailable. In many cases, the position, orientation and number of the load carrying elements in ceilings may be hidden or not be in sight, due for example to the presence of false ceilings or to technical plants. GPR radar can constitute a very useful tool for

  17. Application of conformal map theory for design of 2-D ultrasonic array structure for NDT imaging application: a feasibility study.

    PubMed

    Ramadas, Sivaram N; Jackson, Joseph C; Dziewierz, Jerzy; O'Leary, Richard; Gachagan, Anthony

    2014-03-01

    Two-dimensional ultrasonic phased arrays are becoming increasingly popular in nondestructive evaluation (NDE). Sparse array element configurations are required to fully exploit the potential benefits of 2-D phased arrays. This paper applies the conformal mapping technique as a means of designing sparse 2-D array layouts for NDE applications. Modeling using both Huygens' field prediction theory and 2-D fast Fourier transformation is employed to study the resulting new structure. A conformal power map was used that, for fixed beam width, was shown in simulations to have a greater contrast than rectangular or random arrays. A prototype aperiodic 2-D array configuration for direct contact operation in steel, with operational frequency ~3 MHz, was designed using the array design principle described in this paper. Experimental results demonstrate a working sparse-array transducer capable of performing volumetric imaging.

  18. 2-D Nonlinear Theory of the Free Electron Laser Amplifier for an Electron Beam with Finite Axial and Transverse Dimensions.

    DTIC Science & Technology

    1982-04-23

    configuration is shown in Fig. 1. The generalized vector potentials of the right-handed, heh. !, static magnetic wiggler field and the electromagnetic...Fig. 2 denote the locations of the electron beams at t1 - 1 rn/c and t - 2 in/c, which c is the speed of light . The solid lines in the (z, t) plot are...the light lines. The gain pulse on axis are plotted at times t and t2. We see that the excited radiation pulse grows and spreads beyond the electron

  19. Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.

    PubMed

    Martiny, Virginie Y; Carbonell, Pablo; Chevillard, Florent; Moroy, Gautier; Nicot, Arnaud B; Vayer, Philippe; Villoutreix, Bruno O; Miteva, Maria A

    2015-12-15

    Cytochrome P450 (CYP) is a superfamily of enzymes responsible for the metabolism of drugs, xenobiotics and endogenous compounds. CYP2D6 metabolizes about 30% of drugs and predicting potential CYP2D6 inhibition is important in early-stage drug discovery. We developed an original in silico approach for the prediction of CYP2D6 inhibition combining the knowledge of the protein structure and its dynamic behavior in response to the binding of various ligands and machine learning modeling. This approach includes structural information for CYP2D6 based on the available crystal structures and molecular dynamic simulations (MD) that we performed to take into account conformational changes of the binding site. We performed modeling using three learning algorithms--support vector machine, RandomForest and NaiveBayesian--and we constructed combined models based on topological information of known CYP2D6 inhibitors and predicted binding energies computed by docking on both X-ray and MD protein conformations. In addition, we identified three MD-derived structures that are capable all together to better discriminate inhibitors and non-inhibitors compared with individual CYP2D6 conformations, thus ensuring complementary ligand profiles. Inhibition models based on classical molecular descriptors and predicted binding energies were able to predict CYP2D6 inhibition with an accuracy of 78% on the training set and 75% on the external validation set. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  20. Electronic absorption spectra of C60+ -L (L = He, Ne, Ar, Kr, H2, D2, N2) complexes

    NASA Astrophysics Data System (ADS)

    Holz, Mathias; Campbell, Ewen Kyle; Rice, Corey Allen; Maier, John Paul

    2017-02-01

    Electronic spectra in the near infrared of C60+ with He, Ne, Ar, Kr, H2, D2 and N2 attached have been recorded below 10 K in a cryogenic radio frequency ion trap. Additional absorption bands are observed compared to the spectrum of C60+ -He. In the case of C60+ -N2, the strongest one of these shifts to lower energies by 21.3 cm-1 compared to the origin band of C60+ -He at 10378.5 cm-1. The pattern in the spectrum is dependent on the attached ligand. The gas-phase observations on C60+ -Ne allow a rationalization of the relative intensities of the absorptions of C60+ in a neon matrix.

  1. 2D Synchrotron Radiation Interferometer for Measuring the Transverse Dimensions of an Electron Beam in a Circular Accelerator

    NASA Astrophysics Data System (ADS)

    Novokshonov, A. I.; Potylitsyn, A. P.; Kube, G.

    2017-08-01

    In the majority of cases, modern systems for measuring the transverse profile of the electron beam in storage rings of synchrotron type work in the x-ray range in order to overcome the resolution limit imposed by diffraction. In conjunction with devices of this type, use is frequently made of a synchrotron radiation interferometer operating in the visible wavelength range. With the help of such an interferometer, consisting of a screen with two slits (1D interferometer), it is possible to measure the transverse dimension down to a few micrometers. 1D interferometers are widely used in circular accelerators throughout the world, including a PETRA III (DESY) storage ring, where such an interferometer is used to determine the vertical dimension of the beam. It is proposed to use a 2D interferometer, consisting of a screen with four circular holes, making it possible to measure the vertical and horizontal dimensions simultaneously.

  2. A Stochastic Hill Climbing Approach for Simultaneous 2D Alignment and Clustering of Cryogenic Electron Microscopy Images.

    PubMed

    Reboul, Cyril F; Bonnet, Frederic; Elmlund, Dominika; Elmlund, Hans

    2016-06-07

    A critical step in the analysis of novel cryogenic electron microscopy (cryo-EM) single-particle datasets is the identification of homogeneous subsets of images. Methods for solving this problem are important for data quality assessment, ab initio 3D reconstruction, and analysis of population diversity due to the heterogeneous nature of macromolecules. Here we formulate a stochastic algorithm for identification of homogeneous subsets of images. The purpose of the method is to generate improved 2D class averages that can be used to produce a reliable 3D starting model in a rapid and unbiased fashion. We show that our method overcomes inherent limitations of widely used clustering approaches and proceed to test the approach on six publicly available experimental cryo-EM datasets. We conclude that, in each instance, ab initio 3D reconstructions of quality suitable for initialization of high-resolution refinement are produced from the cluster centers.

  3. Photogalvanic effects originating from the violation of the Einstein relation in a 2D electron gas in high Landau levels

    NASA Astrophysics Data System (ADS)

    Dmitriev, Ivan

    2010-03-01

    This talk will present a quantum kinetic theory [1] of the microwave-induced photocurrent and photovoltage magnetooscillations emerging in a spatially nonuniform 2D electron system in the absence of external dc driving [2]. It will show that in an irradiated sample the Landau quantization leads to violation of the Einstein relation between the dc conductivity and diffusion coefficient. Then, in the presence of a built-in electric field in a sample, the microwave illumination causes photo-galvanic signals which oscillate as a function of magnetic field as observed in the experiment. The discussed effects should also play an essential role for the transport in the zero resistance states where the system breaks into current domains and peculiarities of the transport properties of the inhomogeneous system become of central importance.[1] I. A. Dmitriev, S. I. Dorozhkin, and A. D. Mirlin, ``Theory of microwave-induced photocurrent and photovoltage magneto-oscillations in a spatially nonuniform two-dimensional electron gas '', Phys. Rev. B 80, 125418 (2009).[2] S. I. Dorozhkin, I. V. Pechenezhskiy, L. N. Pfeiffer, K. W. West, V. Umansky, K. von Klitzing, and J. H. Smet, ``Photocurrent and Photovoltage Oscillations in the Two-Dimensional Electron System: Enhancement and Suppression of Built-In Electric Fields'', Phys. Rev.Lett. 102, 036602 (2009).

  4. Formation of Photonic Structures in Photorefractive Lithium Niobate by 1D and 2D Bessel-like Optical Fields

    NASA Astrophysics Data System (ADS)

    Inyushov, A.; Safronova, P.; Trushnikov, I.; Sarkyt, A.; Shandarov, V.

    2017-06-01

    Both, one-dimensional (1D) and two-dimensional (2D) Bessel-like beams with different topology of 2D beam cross-sections are formed from Gaussian laser beams using the amplitude masks and Fresnel biprisms. These almost diffraction-free light fields with wavelengths of 532 and 633 nm can change the refractive indices of photorefractive lithium niobate samples and form within them the nonlinear photonic diffraction structures. The characteristics of photonic structures induced in this way are studied by diffraction of monochromatic light with wavelengths of 633 and 532 nm.

  5. The Role of the Impedivity in the Magnetotelluric Response of 1D and 2D Structures

    NASA Astrophysics Data System (ADS)

    Esposito, Roberta; Giulia Di Giuseppe, Maria; Troiano, Antonio; Patella, Domenico; Mariano Castelo Branco, Raimundo

    2014-05-01

    ambiguous. Successively, a 2D case is considered, consisting in a magma chamber at a depth of 1 km, buried into a soil. The synthetic responses were performed considering both the non-dispersive and the dispersive case and the differences of the modelled MT curves are compared. As for the 1D case, the dispersion alters the resistivity values, particularly at the boundary of the buried body, leading to an ambiguous interpretation. MT data alone are not sufficient to distinguish polarization effects or can induce to see dispersion where is not present. An approach to solve this problem consists of the combined interpretation of DC geoelectrical and MT data collected at the same site. Review of real cases is also shown.

  6. 2D-2D stacking of graphene-like g-C3N4/Ultrathin Bi4O5Br2 with matched energy band structure towards antibiotic removal

    NASA Astrophysics Data System (ADS)

    Ji, Mengxia; Di, Jun; Ge, Yuping; Xia, Jiexiang; Li, Huaming

    2017-08-01

    A novel visible-light-driven 2D-2D graphene-like g-C3N4/ultrathin Bi4O5Br2 photocatalyst was prepared via a facile solvothermal method in the presence of reactable ionic liquid 1-hexadecyl-3-methylimidazolium bromide ([C16mim]Br) for the first time. FT-IR, XPS and TEM analysis results demonstrated the successful introduction of the 2D graphene-like g-C3N4 material to the Bi4O5Br2 system. DRS and BET analysis results indicated the existence of the g-C3N4 could lead to the broaden absorption edge and larger surface area of the ultrathin Bi4O5Br2 nanosheets. The electrochemical analysis implied a fast transfer of the interfacial electrons and low recombination rate of photogenerated charge carriers in g-C3N4/Bi4O5Br2, which could be assigned to the sufficient and tight contact between ultrathin Bi4O5Br2 and graphene-like g-C3N4. The quinolone antibiotic ciprofloxacin (CIP) was chosen as the target pollutant to evaluate the photocatalytic performance of the as-prepared samples under visible light irradiation. 1 wt% g-C3N4/Bi4O5Br2 composite exhibited the highest photocatalytic degradation performance among all of the as-prepared photocatalysts. The enhancement of photocatalytic activity was attributed to the maximum contact between graphene-like g-C3N4 and ultrathin Bi4O5Br2 material with matched energy band structure, which enable the efficient charge seperation. A possible photocatalytic mechanism also was proposed.

  7. The conflicting role of buckled structure in phonon transport of 2D group-IV and group-V materials.

    PubMed

    Peng, Bo; Zhang, Dequan; Zhang, Hao; Shao, Hezhu; Ni, Gang; Zhu, Yongyuan; Zhu, Heyuan

    2017-03-20

    Controlling heat transport through material design is one important step toward thermal management in 2D materials. To control heat transport, a comprehensive understanding of how structure influences heat transport is required. It has been argued that a buckled structure is able to suppress heat transport by increasing the flexural phonon scattering. Using a first principles approach, we calculate the lattice thermal conductivity of 2D mono-elemental materials with a buckled structure. Somewhat counterintuitively, we find that although 2D group-V materials have a larger mass and higher buckling height than their group-IV counterparts, the calculated κ of blue phosphorene (106.6 W mK(-1)) is nearly four times higher than that of silicene (28.3 W mK(-1)), while arsenene (37.8 W mK(-1)) is more than fifteen times higher than germanene (2.4 W mK(-1)). We report for the first time that a buckled structure has three conflicting effects: (i) increasing the Debye temperature by increasing the overlap of the pz orbitals, (ii) suppressing the acoustic-optical scattering by forming an acoustic-optical gap, and (iii) increasing the flexural phonon scattering. The former two, corresponding to the harmonic phonon part, tend to enhance κ, while the last one, corresponding to the anharmonic part, suppresses it. This relationship between the buckled structure and phonon behaviour provides insight into how to control heat transport in 2D materials.

  8. 2D-RNA-coupling numbers: a new computational chemistry approach to link secondary structure topology with biological function.

    PubMed

    González-Díaz, Humberto; Agüero-Chapin, Guillermín; Varona, Javier; Molina, Reinaldo; Delogu, Giovanna; Santana, Lourdes; Uriarte, Eugenio; Podda, Gianni

    2007-04-30

    Methods for prediction of proteins, DNA, or RNA function and mapping it onto sequence often rely on bioinformatics alignment approach instead of chemical structure. Consequently, it is interesting to develop computational chemistry approaches based on molecular descriptors. In this sense, many researchers used sequence-coupling numbers and our group extended them to 2D proteins representations. However, no coupling numbers have been reported for 2D-RNA topology graphs, which are highly branched and contain useful information. Here, we use a computational chemistry scheme: (a) transforming sequences into RNA secondary structures, (b) defining and calculating new 2D-RNA-coupling numbers, (c) seek a structure-function model, and (d) map biological function onto the folded RNA. We studied as example 1-aminocyclopropane-1-carboxylic acid (ACC) oxidases known as ACO, which control fruit ripening having importance for biotechnology industry. First, we calculated tau(k)(2D-RNA) values to a set of 90-folded RNAs, including 28 transcripts of ACO and control sequences. Afterwards, we compared the classification performance of 10 different classifiers implemented in the software WEKA. In particular, the logistic equation ACO = 23.8 . tau(1)(2D-RNA) + 41.4 predicts ACOs with 98.9%, 98.0%, and 97.8% of accuracy in training, leave-one-out and 10-fold cross-validation, respectively. Afterwards, with this equation we predict ACO function to a sequence isolated in this work from Coffea arabica (GenBank accession DQ218452). The tau(1)(2D-RNA) also favorably compare with other descriptors. This equation allows us to map the codification of ACO activity on different mRNA topology features. The present computational-chemistry approach is general and could be extended to connect RNA secondary structure topology to other functions.

  9. A Static and Dynamic Investigation of Quantum Nonlinear Transport in Highly Dense and Mobile 2D Electron Systems

    NASA Astrophysics Data System (ADS)

    Dietrich, Scott

    Heterostructures made of semiconductor materials may be one of most versatile environments for the study of the physics of electron transport in two dimensions. These systems are highly customizable and demonstrate a wide range of interesting physical phenomena. In response to both microwave radiation and DC excitations, strongly nonlinear transport that gives rise to non-equilibrium electron states has been reported and investigated. We have studied GaAs quantum wells with a high density of high mobility two-dimensional electrons placed in a quantizing magnetic field. This study presents the observation of several nonlinear transport mechanisms produced by the quantum nature of these materials. The quantum scattering rate, 1tau/q, is an important parameter in these systems, defining the width of the quantized energy levels. Traditional methods of extracting 1tau/q involve studying the amplitude of Shubnikov-de Haas oscillations. We analyze the quantum positive magnetoresistance due to the cyclotron motion of electrons in a magnetic field. This method gives 1tau/q and has the additional benefit of providing access to the strength of electron-electron interactions, which is not possible by conventional techniques. The temperature dependence of the quantum scattering rate is found to be proportional to the square of the temperature and is in very good agreement with theory that considers electron-electron interactions in 2D systems. In quantum wells with a small scattering rate - which corresponds to well-defined Landau levels - quantum oscillations of nonlinear resistance that are independent of magnetic field strength have been observed. These oscillations are periodic in applied bias current and are connected to quantum oscillations of resistance at zero bias: either Shubnikov-de Haas oscillations for single subband systems or magnetointersubband oscillations for two subband systems. The bias-induced oscillations can be explained by a spatial variation of electron

  10. Structure and properties of phosphorene-like IV-VI 2D materials.

    PubMed

    Ma, Zhinan; Wang, Bo; Ou, Liangkai; Zhang, Yan; Zhang, Xu; Zhou, Zhen

    2016-10-14

    Because of the excellent physical and chemical properties of phosphorene, phosphorene and phosphorene-like materials have attracted extensive attention. Since phosphorus belongs to group V, some group IV-VI compounds could also form phosphorene-like configurations. In this work, GeO, SnO, GeS, and SnS monolayers were constructed to investigate the structural and electronic properties by employing first-principles computations. Phonon spectra suggest that these monolayers are dynamically stable and could be realized in experiments. These monolayers are all semiconductors with the band gaps of 2.26 ∼ 4.13 eV. Based on the monolayers, GeO, SnO, GeS, and SnS bilayers were also constructed. The band gaps of these bilayers are smaller than those of the corresponding monolayers. Moreover, the optical properties of these monolayers and bilayers were calculated, and the results indicate that the SnO, GeS and SnS bilayers exhibit obvious optical absorption in the visible spectrum. All the results suggest that phosphorene-like IV-VI materials are promising candidates for electronic and optical devices.

  11. Bcs-Bose Crossover Picture for a 2d Electron Gas with a Finite-Range Attractive Interfermion Interaction

    NASA Astrophysics Data System (ADS)

    Solís, Miguel A.; Sevilla, Francisco J.; Fortes, Mauricio; de Llano, Manuel

    2002-03-01

    Cooper pair formation is studied in a 2D electron gas interacting pairwise through a finite-range, separable interfermion potential in wavevector space V_ kk^' =-(v_0/L^2)g_kg_k^' , where L^2 is the system area, v0 >= 0 the interaction strength, g_k≡ (1+k^2/k_0^2)-1/2 with k0 the inverse interaction range. The interaction strength v0 is eliminated [1] in favor of the (positive) binding energy B2 of an electron pair in vacuum under the same interfermion interaction. For finite range, i.e., 1/k_0>0, we report numerical calculations of the gap, the critical temperature and the chemical potential as functions of B2 and 1/k_0. For k_0= ∞ or zero-range (viz., a delta potential well) we recover at T=0 the well-known Miyake [2] results. Finally, the gap-to-Tc ratio is exhibited as a function of B2 and compared with other calculations as well as with empirical values for cuprate superconductors. [1] S.K. Adhikari, M. Casas, A. Puente, A. Rigo, M. Fortes, M.A. Solís, M. de Llano, A.A. Valladares and O. Rojo, Phys. Rev. B 62, 8671 (2000). [2] K. Miyake, Prog. Theor. Phys. 69, 1794 (1983). We thank UNAM-DGAPA-PAPIIT # IN102198 and CONACyT # 27828E for partial support.

  12. Fast ion induced shearing of 2D Alfvén eigenmodes measured by electron cyclotron emission imaging.

    PubMed

    Tobias, B J; Classen, I G J; Domier, C W; Heidbrink, W W; Luhmann, N C; Nazikian, R; Park, H K; Spong, D A; Van Zeeland, M A

    2011-02-18

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfvén eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  13. Fast Ion Induced Shearing of 2D Alfvén Eigenmodes Measured by Electron Cyclotron Emission Imaging

    NASA Astrophysics Data System (ADS)

    Tobias, B. J.; Classen, I. G. J.; Domier, C. W.; Heidbrink, W. W.; Luhmann, N. C., Jr.; Nazikian, R.; Park, H. K.; Spong, D. A.; van Zeeland, M. A.

    2011-02-01

    Two-dimensional images of electron temperature perturbations are obtained with electron cyclotron emission imaging (ECEI) on the DIII-D tokamak and compared to Alfvén eigenmode structures obtained by numerical modeling using both ideal MHD and hybrid MHD-gyrofluid codes. While many features of the observations are found to be in excellent agreement with simulations using an ideal MHD code (NOVA), other characteristics distinctly reveal the influence of fast ions on the mode structures. These features are found to be well described by the nonperturbative hybrid MHD-gyrofluid model TAEFL.

  14. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy

    SciTech Connect

    Enriquez, Miriam M.; Zhang, Cheng; Tan, Howe-Siang; Akhtar, Parveen; Garab, Győző; Lambrev, Petar H.

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Q{sub y} band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240–270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet–singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

  15. Energy transfer dynamics in trimers and aggregates of light-harvesting complex II probed by 2D electronic spectroscopy.

    PubMed

    Enriquez, Miriam M; Akhtar, Parveen; Zhang, Cheng; Garab, Győző; Lambrev, Petar H; Tan, Howe-Siang

    2015-06-07

    The pathways and dynamics of excitation energy transfer between the chlorophyll (Chl) domains in solubilized trimeric and aggregated light-harvesting complex II (LHCII) are examined using two-dimensional electronic spectroscopy (2DES). The LHCII trimers and aggregates exhibit the unquenched and quenched excitonic states of Chl a, respectively. 2DES allows direct correlation of excitation and emission energies of coupled states over population time delays, hence enabling mapping of the energy flow between Chls. By the excitation of the entire Chl b Qy band, energy transfer from Chl b to Chl a states is monitored in the LHCII trimers and aggregates. Global analysis of the two-dimensional (2D) spectra reveals that energy transfer from Chl b to Chl a occurs on fast and slow time scales of 240-270 fs and 2.8 ps for both forms of LHCII. 2D decay-associated spectra resulting from the global analysis identify the correlation between Chl states involved in the energy transfer and decay at a given lifetime. The contribution of singlet-singlet annihilation on the kinetics of Chl energy transfer and decay is also modelled and discussed. The results show a marked change in the energy transfer kinetics in the time range of a few picoseconds. Owing to slow energy equilibration processes, long-lived intermediate Chl a states are present in solubilized trimers, while in aggregates, the population decay of these excited states is significantly accelerated, suggesting that, overall, the energy transfer within the LHCII complexes is faster in the aggregated state.

  16. Impact of incorporating the 2C5 crystal structure into comparative models of cytochrome P450 2D6.

    PubMed

    Kirton, Stewart B; Kemp, Carol A; Tomkinson, Nicholas P; St-Gallay, Steven; Sutcliffe, Michael J

    2002-11-01

    Cytochrome P450 2D6 (CYP2D6) metabolizes approximately one third of the drugs in current clinical use. To gain insight into its structure and function, we have produced four different sets of comparative models of 2D6: one based on the structures of P450s from four different microorganisms (P450 terp, P450 eryF, P450 cam, and P450 BM3), another on the only mammalian P450 (2C5) structure available, and the other two based on alternative amino acid sequence alignments of 2D6 with all five of these structures. Principal component analysis suggests that inclusion of the 2C5 crystal structure has a profound effect on the modeling process, altering the general topology of the active site, and that the models produced differ significantly from all of the templates. The four models of 2D6 were also used in conjunction with molecular docking to produce complexes with the substrates codeine and 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP); this identified Glu 216 [in the F-helix; substrate recognition site (SRS) 2] as a key determinant in the binding of the basic moiety of the substrate. Our studies suggest that both Asp 301 and Glu 216 are required for metabolism of basic substrates. Furthermore, they suggest that Asp 301 (I-helix, SRS-4), a residue thought from mutagenesis studies to bind directly to the basic moiety of substrates, may play a key role in positioning the B'-C loop (SRS-1) and that the loss of activity on mutating Asp 301 may therefore be the result of an indirect effect (movement of the B'-C loop) on replacing this residue. Copyright 2002 Wiley-Liss, Inc.

  17. Structure of 2-D and 3-D Turbulent Boundary Layers with Sparsely Distributed Roughness Elements

    DTIC Science & Technology

    2005-06-28

    198 CHAPTER 6 COMPARISON OF THE THREE FLOW CASES: SINGLE ELEMENTS, 2-D TBL...62 Figure 3.2. U/UT versus yU. /v, streamwise mean velocity profiles along the centerline ........... 63 Figure 3.3 (a...z/d plane at x/d = 10 ............................. 65 Figure 3.4 (a). V/U, versus yU, /v, wall-normal mean velocity profiles along the centerline

  18. Watching Silica's Dance: Imaging the Structure and Dynamics of the Atomic (Re-) Arrangements in 2D Glass

    NASA Astrophysics Data System (ADS)

    Muller, David

    2014-03-01

    Even though glasses are almost ubiquitous--in our windows, on our iPhones, even on our faces--they are also mysterious. Because glasses are notoriously difficult to study, basic questions like: ``How are the atoms arranged? Where and how do glasses break?'' are still under contention. We use aberration corrected transmission electron microscopy (TEM) to image the atoms in a new two-dimensional phase of silica glass - freestanding it becomes the world's thinnest pane of glass at only 3-atoms thick, and take a unique look into these questions. Using atom-by-atom imaging and spectroscopy, we are able to reconstruct the full structure and bonding of this 2D glass and identify it as a bi-tetrahedral layer of SiO2. Our images also strikingly resemble Zachariasen's original cartoon models of glasses, drawn in 1932. As such, our work realizes an 80-year-old vision for easily understandable glassy systems and introduces promising methods to test theoretical predictions against experimental data. We image atoms in the disordered solid and track their motions in response to local strain. We directly obtain ring statistics and pair distribution functions that span short-, medium-, and long-range order, and test these against long-standing theoretical predictions of glass structure and dynamics. We use the electron beam to excite atomic rearrangements, producing surprisingly rich and beautiful videos of how a glass bends and breaks, as well as the exchange of atoms at a solid/liquid interface. Detailed analyses of these videos reveal a complex dance of elastic and plastic deformations, phase transitions, and their interplay. These examples illustrate the wide-ranging and fundamental materials physics that can now be studied at atomic-resolution via transmission electron microscopy of two-dimensional glasses. Work in collaboration with: S. Kurasch, U. Kaiser, R. Hovden, Q. Mao, J. Kotakoski, J. S. Alden, A. Shekhawat, A. A. Alemi, J. P. Sethna, P. L. McEuen, A.V. Krasheninnikov

  19. Assembling carbon fiber-graphene-carbon fiber hetero-structures into 1D-2D-1D junction fillers and patterned structures for improved microwave absorption

    NASA Astrophysics Data System (ADS)

    Li, Huimin; Liu, Lin; Li, Hai-Bing; Song, Wei-Li; Bian, Xing-Ming; Zhao, Quan-Liang; Chen, Mingji; Yuan, Xujin; Chen, Haosen; Fang, Daining

    2017-04-01

    Since carbon-based structures of various dimensions, including one-dimensional (1D) carbon nanotubes, two-dimensional (2D) graphene and three-dimensional (3D) carbon foams, have attracted significant attention as microwave absorption fillers, we present an exceptional hetero-junction filler with a 1D-2D-1D feature, achieved by manipulating 2D graphene into 1D carbon fibers in the fiber-extruding process under the electric field. The as-fabricated 1D-2D-1D structural fillers exhibited much-improved dielectric properties and promoted microwave absorption performance in their composites, which is linked to the establishment of enhanced polarization capability, the generation of increased electric loss pathway and the creation of more favorable electromagnetic energy consumption conditions. The results suggest that employing 2D graphene in the 1D-2D-1D nanostructures played the critical role in tuning the electromagnetic response ability, because of its intrinsic electric advantages and dimensional features. To broaden the effective absorption bandwidth, periodic pattern-absorbing structures were designed, which showed combined absorption advantages for various thicknesses. Our strategy for fabricating 1D-2D-1D structural fillers illuminates a universal approach for manipulating dimensions and structures in the nanotechnology.

  20. Designing molecular structure to achieve ductile fracture behavior in a stiff and strong 2D polymer, ``graphylene''

    NASA Astrophysics Data System (ADS)

    Sandoz-Rosado, E.; Beaudet, T. D.; Balu, R.; Wetzel, E. D.

    2016-05-01

    As the simplest two-dimensional (2D) polymer, graphene has immensely high intrinsic strength and elastic stiffness but has limited toughness due to brittle fracture. We use atomistic simulations to explore a new class of graphene/polyethylene hybrid 2D polymer, ``graphylene'', that exhibits ductile fracture mechanisms and has a higher fracture toughness and flaw tolerance than graphene. A specific configuration of this 2D polymer hybrid, denoted ``GrE-2'' for the two-carbon-long ethylene chains connecting benzene rings in the inherent framework, is prioritized for study. MD simulations of crack propagation show that the energy release rate to propagate a crack in GrE-2 is twice that of graphene. We also demonstrate that GrE-2 exhibits delocalized failure and other energy-dissipating fracture mechanisms such as crack branching and bridging. These results demonstrate that 2D polymers can be uniquely tailored to achieve a balance of fracture toughness with mechanical stiffness and strength.As the simplest two-dimensional (2D) polymer, graphene has immensely high intrinsic strength and elastic stiffness but has limited toughness due to brittle fracture. We use atomistic simulations to explore a new class of graphene/polyethylene hybrid 2D polymer, ``graphylene'', that exhibits ductile fracture mechanisms and has a higher fracture toughness and flaw tolerance than graphene. A specific configuration of this 2D polymer hybrid, denoted ``GrE-2'' for the two-carbon-long ethylene chains connecting benzene rings in the inherent framework, is prioritized for study. MD simulations of crack propagation show that the energy release rate to propagate a crack in GrE-2 is twice that of graphene. We also demonstrate that GrE-2 exhibits delocalized failure and other energy-dissipating fracture mechanisms such as crack branching and bridging. These results demonstrate that 2D polymers can be uniquely tailored to achieve a balance of fracture toughness with mechanical stiffness and

  1. A novel 2-D transition metal cyanide membrane: Modeling, structural, magnetic, and functional characterization

    NASA Astrophysics Data System (ADS)

    Goss, Marcus

    A novel 2-dimensional crystalline material composed of cyanide-bridged metal nanosheets with a square planar framework has been prepared. This material, similar to Hofmann clathrates, has a variety of interesting properties. The material is crystalline and possesses characteristics that include magnetic properties, electronic properties and useful structural features. They have recently been exfoliated into individual crystalline sheets. These sheets show a strong potential for use as ion selective membranes. Performance improvements in water purification and desalination by reverse osmosis methods owing to their single atom thickness is possible. A series of dynamic molecular simulations has provided an understanding of the mechanism for water permeability and salt rejection. Energy profiles for the passage of water and ionic species through the porous areas of these nanosheets have been built and reported. Performance estimates of the efficacy of this novel material for use as an ion selective membrane such as an improved desalination RO membrane are presented. Experiments in synthesis and exfoliation of this class of cyanide-bridged transition metal complex were conducted and the results are presented. A preliminary investigation into the magnetic properties of these materials is included.

  2. A 2D simulation study of Langmuir, whistler, and cyclotron maser instabilities induced by an electron ring-beam distribution

    SciTech Connect

    Lee, K. H.; Lee, L. C.; Omura, Y.

    2011-09-15

    We carried out a series of 2D simulations to study the beam instability and cyclotron maser instability (CMI) with the initial condition that a population of tenuous energetic electrons with a ring-beam distribution is present in a magnetized background plasma. In this paper, weakly relativistic cases are discussed with the ring-beam kinetic energy ranging from 25 to 100 keV. The beam component leads to the two-stream or beam instability at an earlier stage, and the beam mode is coupled with Langmuir or whistler mode, leading to excitation of beam-Langmuir or beam-whistler waves. When the beam velocity is large with a strong beam instability, the initial ring-beam distribution is diffused in the parallel direction rapidly. The diffused distribution may still support CMI to amplify the X1 mode (the fundamental X mode). On the contrary, when the beam velocity is small and the beam instability is weak, CMI can amplify the Z1 (the fundamental Z mode) effectively while the O1 (the fundamental O mode) and X2 (the second harmonic X mode) modes are very weak and the X1 mode is not excited. In this report, different cases with various parameters are presented and discussed for a comprehensive understanding of ring-beam instabilities.

  3. 2D hybrid analysis: Approach for building three-dimensional atomic model by electron microscopy image matching.

    PubMed

    Matsumoto, Atsushi; Miyazaki, Naoyuki; Takagi, Junichi; Iwasaki, Kenji

    2017-03-23

    In this study, we develop an approach termed "2D hybrid analysis" for building atomic models by image matching from electron microscopy (EM) images of biological molecules. The key advantage is that it is applicable to flexible molecules, which are difficult to analyze by 3DEM approach. In the proposed approach, first, a lot of atomic models with different conformations are built by computer simulation. Then, simulated EM images are built from each atomic model. Finally, they are compared with the experimental EM image. Two kinds of models are used as simulated EM images: the negative stain model and the simple projection model. Although the former is more realistic, the latter is adopted to perform faster computations. The use of the negative stain model enables decomposition of the averaged EM images into multiple projection images, each of which originated from a different conformation or orientation. We apply this approach to the EM images of integrin to obtain the distribution of the conformations, from which the pathway of the conformational change of the protein is deduced.

  4. Influence of electron-neutral elastic collisions on the instability of an ion-contaminated cylindrical electron cloud: 2D3V PIC-with-MCC simulations

    NASA Astrophysics Data System (ADS)

    Sengupta, M.; Ganesh, R.

    2016-10-01

    This paper is a simulation based investigation of the effect of elastic collisions and effectively elastic-like excitation collisions between electrons and background neutrals on the dynamics of a cylindrically trapped electron cloud that also has an ion contaminant mixed in it. A cross section of the trapped non neutral cloud composed of electrons mixed uniformly with a fractional population of ions is loaded on a 2D PIC grid with the plasma in a state of unstable equilibrium due to differential rotation between the electron and the ion component. The electrons are also loaded with an axial velocity component, vz, that mimics their bouncing motion between the electrostatic end plugs of a Penning-Malmberg trap. This vz loading facilitates 3D elastic and excitation collisions of the electrons with background neutrals under a MCC scheme. In the present set of numerical experiments, the electrons do not ionize the neutrals. This helps in separating out only the effect of non-ionizing collisions of electrons on the dynamics of the cloud. Simulations reveal that these non-ionizing collisions indirectly influence the ensuing collisionless ion resonance instability of the contaminated electron cloud by a feedback process. The collisional relaxation reduces the average density of the electron cloud and thereby increases the fractional density of the ions mixed in it. The dynamically changing electron density and fractional density of ions feed back on the ongoing ion-resonance (two-stream) instability between the two components of the nonneutral cloud and produce deviations in the paths of progression of the instability that are uncorrelated at different background gas pressures. Effects of the collisions on the instability are evident from alteration in the growth rate and energetics of the instability caused by the presence of background neutrals as compared to a vacuum background. Further in order to understand if the non-ionizing collisions can independently be a cause

  5. 2D particle-in-cell simulations of the electron drift instability and associated anomalous electron transport in Hall-effect thrusters

    NASA Astrophysics Data System (ADS)

    Croes, Vivien; Lafleur, Trevor; Bonaventura, Zdeněk; Bourdon, Anne; Chabert, Pascal

    2017-03-01

    In this work we study the electron drift instability in Hall-effect thrusters (HETs) using a 2D electrostatic particle-in-cell (PIC) simulation. The simulation is configured with a Cartesian coordinate system modeling the radial-azimuthal (r{--}θ ) plane for large radius thrusters. A magnetic field, {{B}}0, is aligned along the Oy axis (r direction), a constant applied electric field, {{E}}0, along the Oz axis (perpendicular to the simulation plane), and the {{E}}0× {{B}}0 direction is along the Ox axis (θ direction). Although electron transport can be well described by electron–neutral collisions for low plasma densities, at high densities (similar to those in typical HETs), a strong instability is observed that enhances the electron cross-field mobility; even in the absence of electron–neutral collisions. The instability generates high frequency (of the order of MHz) and short wavelength (of the order of mm) fluctuations in both the azimuthal electric field and charged particle densities, and propagates in the {{E}}0× {{B}}0 direction with a velocity close to the ion sound speed. The correlation between the electric field and density fluctuations (which leads to an enhanced electron–ion friction force) is investigated and shown to be directly responsible for the increased electron transport. Results are compared with a recent kinetic theory, showing good agreement with the instability properties and electron transport.

  6. Hybrid platforms of graphane-graphene 2D structures: prototypes for atomically precise nanoelectronics.

    PubMed

    Mota, F de B; Rivelino, R; Medeiros, P V C; Mascarenhas, A J S; de Castilho, C M C

    2014-11-21

    First-principles calculations demonstrate that line/ribbon defects, resulting from a controlled dehydrogenation in graphane, lead to the formation of low-dimensional electron-rich tracks in a monolayer. The present simulations point out that hybrid graphane-graphene nanostructures exhibit important elements, greatly required for the fabrication of efficient electronic circuits at the atomic level.

  7. Postretinal Structure and Function in Severe Congenital Photoreceptor Blindness Caused by Mutations in the GUCY2D Gene

    PubMed Central

    Aguirre, Geoffrey K.; Butt, Omar H.; Datta, Ritobrato; Roman, Alejandro J.; Sumaroka, Alexander; Schwartz, Sharon B.; Cideciyan, Artur V.; Jacobson, Samuel G.

    2017-01-01

    Purpose To examine how severe congenital blindness resulting from mutations of the GUCY2D gene alters brain structure and function, and to relate these findings to the notable preservation of retinal architecture in this form of Leber congenital amaurosis (LCA). Methods Six GUCY2D-LCA patients (ages 20–46) were studied with optical coherence tomography of the retina and multimodal magnetic resonance imaging (MRI) of the brain. Measurements from this group were compared to those obtained from populations of normally sighted controls and people with congenital blindness of a variety of causes. Results Patients with GUCY2D-LCA had preservation of the photoreceptors, ganglion cells, and nerve fiber layer. Despite this, visual function in these patients ranged from 20/160 acuity to no light perception, and functional MRI responses to light stimulation were attenuated and restricted. This severe visual impairment was reflected in substantial thickening of the gray matter layer of area V1, accompanied by an alteration of resting-state correlations within the occipital lobe, similar to a comparison group of congenitally blind people with structural damage to the retina. In contrast to the comparison blind population, however, the GUCY2D-LCA group had preservation of the size of the optic chiasm, and the fractional anisotropy of the optic radiations as measured with diffusion tensor imaging was also normal. Conclusions These results identify dissociable effects of blindness upon the visual pathway. Further, the relatively intact postgeniculate white matter pathway in GUCY2D-LCA is encouraging for the prospect of recovery of visual function with gene augmentation therapy.

  8. Charge balancing in GaN-based 2-D electron gas devices employing an additional 2-D hole gas and its influence on dynamic behaviour of GaN-based heterostructure field effect transistors

    SciTech Connect

    Hahn, Herwig Reuters, Benjamin; Geipel, Sascha; Schauerte, Meike; Kalisch, Holger; Vescan, Andrei; Benkhelifa, Fouad; Ambacher, Oliver

    2015-03-14

    GaN-based heterostructure FETs (HFETs) featuring a 2-D electron gas (2DEG) can offer very attractive device performance for power-switching applications. This performance can be assessed by evaluation of the dynamic on-resistance R{sub on,dyn} vs. the breakdown voltage V{sub bd}. In literature, it has been shown that with a high V{sub bd}, R{sub on,dyn} is deteriorated. The impairment of R{sub on,dyn} is mainly driven by electron injection into surface, barrier, and buffer traps. Electron injection itself depends on the electric field which typically peaks at the gate edge towards the drain. A concept suitable to circumvent this issue is the charge-balancing concept which employs a 2-D hole gas (2DHG) on top of the 2DEG allowing for the electric field peak to be suppressed. Furthermore, the 2DEG concentration in the active channel cannot decrease by a change of the surface potential. Hence, beside an improvement in breakdown voltage, also an improvement in dynamic behaviour can be expected. Whereas the first aspect has already been demonstrated, the second one has not been under investigation so far. Hence, in this report, the effect of charge-balancing is discussed and its impact on the dynamic characteristics of HFETs is evaluated. It will be shown that with appropriate device design, the dynamic behaviour of HFETs can be improved by inserting an additional 2DHG.

  9. Use of micro-photoluminescence as a contactless measure of the 2D electron density in a GaAs quantum well

    NASA Astrophysics Data System (ADS)

    Kamburov, D.; Baldwin, K. W.; West, K. W.; Lyon, S.; Pfeiffer, L. N.; Pinczuk, A.

    2017-06-01

    We compare micro-photoluminescence (μPL) as a measure of the electron density in a clean, two-dimensional (2D) system confined in a GaAs quantum well (QW) to the standard magneto-transport technique. Our study explores the PL shape evolution across a number of molecular beam epitaxy-grown samples with different QW widths and 2D electron densities and notes its correspondence with the density obtained in magneto-transport measurements on these samples. We also measure the 2D density in a top-gated quantum well sample using both PL and transport and find that the two techniques agree to within a few percent over a wide range of gate voltages. We find that the PL measurements are sensitive to gate-induced 2D density changes on the order of 109 electrons/cm2. The spatial resolution of the PL density measurement in our experiments is 40 μm, which is already substantially better than the millimeter-scale resolution now possible in spatial density mapping using magneto-transport. Our results establish that μPL can be used as a reliable high spatial resolution technique for future contactless measurements of density variations in a 2D electron system.

  10. Electronic and magnetic properties of zigzag C2N-h2D nanoribbons: Edge and width effects

    NASA Astrophysics Data System (ADS)

    Yu, H. L.; Jiang, X. F.; Cai, M. Q.; Feng, J. F.; Chen, X. S.; Yang, X. F.; Liu, Y. S.

    2017-10-01

    Based on first-principles calculations, we have systematically investigated the structural stability, electronic and magnetic properties of zigzag C2N nanoribbons (ZC2NNRs). Different from zigzag graphene nanoribbons (ZGNRs), the ground states of ZC2NNRs present ferromagnetic metal, antiferromagnetic semiconductor and spin semiconductor dependently on the edge configuration and width of nanoribbons. Our results suggest the ZC2NNRs have great potential applications in spintronic, thermoelectric and optoelectronic devices.

  11. Study on molecular structure and hydration mechanism of Domyoji-ko starch by IR and NIR hetero 2D analysis

    NASA Astrophysics Data System (ADS)

    Katayama, Norihisa; Kondo, Miyuki; Miyazawa, Mitsuhiro

    2010-06-01

    The hydration structure of starch molecule in Domyoji-ko, which is made from gluey rice, was investigated by hetero 2D correlation analysis of IR and NIR spectroscopy. The feature near 1020 cm -1 in the IR spectra of Domyoji-ko is changed by rehydration process, indicating that the molecular structure of amylopectin in the starch has been varied by the hydration without heating. The intensity of a band at 4770 cm -1 in NIR spectra is decreasing with the increasing of either the heating time with water or rehydration time without heating. These results suggest that the hydration of Domyoji-ko has proceeded in similar mechanisms on these processes. The generalized hetero 2D IR-NIR correlation analysis for rehydration of Domyoji-ko has supported the assignments for NIR bands concerning the gelatinization of starch.

  12. 2-D modelling of the anticlinal structures and structural development of the eastern fold belt of the Bengal Basin, Bangladesh

    NASA Astrophysics Data System (ADS)

    Sikder, Arif Mohiuddin; Alam, M. Mustafa

    2003-02-01

    Structural architecture of the Bengal Basin has been strongly controlled by the collision pattern of the Indian plate with the Burma and Tibetan plates. The eastern fold belt (EFB) of the basin, comprising a series of north-south-trending curvilinear anticlines and synclines, represents a fold-and-thrust belt that constitutes the westward continuation of Arakan-Chin fold system of the Indo-Burman Ranges. The present study is mainly concerned with the 2-D modelling of the anticlinal structures in order to develop an understanding about the process-response relationships between the structural style and tectonic evolution of the eastern fold belt. The dominant fold-generating mechanism is believed to be the east-west-directed compressional force arising from oblique subduction of the Indian plate beneath the Burma plate that resulted in the growth of fault-propagation folds above a detachment or decollement at depth, giving rise to the Neogene accretionary prism complex development. A prominent feature of the region is the major east-dipping thrusts separating successive accretionary wedges. In seismic sections, evidence for several phases of compressional deformation suggests that multiphase stress conditions were responsible for the structural expression of the fold belt. Deep seismic sections reveal that the base of folding is characterized by a low-interval velocity horizon that represents a detachment separating the upper folded zone from the lower, seismically coherent, nearly unfolded zone. This detachment coincides with the undercompacted pressured shale unit, which is thought to have played an important role in the structural development of the eastern fold belt. Clay mineralogical analysis reveals the presence of a low-density shale horizon within the dense and thick shale sequence that is thought to be an undercompacted pressured shale during the geological past, and was responsible for the initiation of decollement and incipient diapirism involving thin

  13. Fabricating ordered 2-D nano-structured arrays using nanosphere lithography.

    PubMed

    Zhang, Chenlong; Cvetanovic, Sandra; Pearce, Joshua M

    2017-01-01

    Recent advances in the use of plasmonic metamaterials to improve absorption of light in thin-film solar photovoltaic devices has created a demand for a scalable method of patterning large areas with metal nanostructures deposited in an ordered array. This article describes two methods of fabricating ordered 2D nanosphere colloidal films: spin coating and interface coating. The two methods are compared and parameter optimization discussed. The study reveals that: •For smaller nanosphere sizes, spin coating is more favorable, while for larger nanospheres, the angled interface coating provides more coverage and uniformity.•A surfactant-free approach for interface coating is developed to fabricate zero-contamination colloidal films.•Each of the methods reaches an overall coverage of more than 90% and can be used for nanosphere lithography to form plasmonic metamaterials.

  14. Image restoration using 2D autoregressive texture model and structure curve construction

    NASA Astrophysics Data System (ADS)

    Voronin, V. V.; Marchuk, V. I.; Petrosov, S. P.; Svirin, I.; Agaian, S.; Egiazarian, K.

    2015-05-01

    In this paper an image inpainting approach based on the construction of a composite curve for the restoration of the edges of objects in an image using the concepts of parametric and geometric continuity is presented. It is shown that this approach allows to restore the curved edges and provide more flexibility for curve design in damaged image by interpolating the boundaries of objects by cubic splines. After edge restoration stage, a texture restoration using 2D autoregressive texture model is carried out. The image intensity is locally modeled by a first spatial autoregressive model with support in a strongly causal prediction region on the plane. Model parameters are estimated by Yule-Walker method. Several examples considered in this paper show the effectiveness of the proposed approach for large objects removal as well as recovery of small regions on several test images.

  15. Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties

    PubMed Central

    Island, Joshua O.; Biele, Robert; Barawi, Mariam; Clamagirand, José M.; Ares, José R.; Sánchez, Carlos; van der Zant, Herre S. J.; Ferrer, Isabel J.; D’Agosta, Roberto; Castellanos-Gomez, Andres

    2016-01-01

    We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance. PMID:26931161

  16. Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties

    NASA Astrophysics Data System (ADS)

    Island, Joshua O.; Biele, Robert; Barawi, Mariam; Clamagirand, José M.; Ares, José R.; Sánchez, Carlos; van der Zant, Herre S. J.; Ferrer, Isabel J.; D’Agosta, Roberto; Castellanos-Gomez, Andres

    2016-03-01

    We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance.

  17. Titanium trisulfide (TiS3): a 2D semiconductor with quasi-1D optical and electronic properties.

    PubMed

    Island, Joshua O; Biele, Robert; Barawi, Mariam; Clamagirand, José M; Ares, José R; Sánchez, Carlos; van der Zant, Herre S J; Ferrer, Isabel J; D'Agosta, Roberto; Castellanos-Gomez, Andres

    2016-03-02

    We present characterizations of few-layer titanium trisulfide (TiS3) flakes which, due to their reduced in-plane structural symmetry, display strong anisotropy in their electrical and optical properties. Exfoliated few-layer flakes show marked anisotropy of their in-plane mobilities reaching ratios as high as 7.6 at low temperatures. Based on the preferential growth axis of TiS3 nanoribbons, we develop a simple method to identify the in-plane crystalline axes of exfoliated few-layer flakes through angle resolved polarization Raman spectroscopy. Optical transmission measurements show that TiS3 flakes display strong linear dichroism with a magnitude (transmission ratios up to 30) much greater than that observed for other anisotropic two-dimensional (2D) materials. Finally, we calculate the absorption and transmittance spectra of TiS3 in the random-phase-approximation (RPA) and find that the calculations are in qualitative agreement with the observed experimental optical transmittance.

  18. Identifying Shallow Gas Reservoir Using 2D Seismic data and Seismic Attribute Analysis over Shahbazpur Structure, Bhola, Southern Bangladesh.

    NASA Astrophysics Data System (ADS)

    Rahman, M.; Imam, B.; Kabir, S. M. M.; Mustaque, S.; Gazi, M. Y.

    2016-12-01

    The Shahbazpur structure is a subsurface anticlinal structure situated in the middle of the Bhola Island in the northern margin of Hatia trough of Bengal Foredeep. Bangladesh petroleum exploration and production company Ltd. (BAPEX) discovered the Shahbazpur gas field in its exploration well Shahbazpur-1, in which commercial gas pools were tested positively from depth range of 3154m to 3212m below surface. A method is established to delineate the structural mapping precisely by interpreting Eight 2D seismic lines that are acquired over Shahbazpur structure. Moreover direct hydrocarbon indicators (DHI) related attributes are analyzed for further confirmation for presence of hydrocarbon in shallow to moderate depth. To do this synthetic seismogram generation, seismic to well tie, velocity modelling and depth conversion are performed. A limited number of seismic attributes functions that are available in an academic version of Petrel software are applied to analyze attributes. Seismic attribute analyses that are used in this interpretation mainly are associated to bright spot detection. Seismic indication of gas accumulation in 2D seismic line; RMS amplitude and Envelope attribute map from seismic attribute analysis shows presence of bright spots or high amplitude anomaly above the present Shahbazpur structure reservoir zone. This signature will play a very important role in next well planning on the same structure to test the shallow accumulation of hydrocarbon. For better understanding of this shallow reserve, it is suggested to acquire 3D seismic data over Shahbazpur structure which will help to evaluate the hydrocarbon accumulation and to identify gas migration pathways.

  19. Micro PIV measurements of turbulent flow over 2D structured roughness

    NASA Astrophysics Data System (ADS)

    Hartenberger, Joel; Perlin, Marc

    2015-11-01

    We investigate the turbulent boundary layer over surfaces with 2D spanwise square and triangular protrusions having nominal heights of 100 - 300 microns for Reynolds numbers ranging from Reτ ~ 1500 through Reτ ~ 4500 using a high speed, high magnification imaging system. Micro PIV analysis gives finely resolved velocity fields of the flow (on the order of 10 microns between vectors) enabling a detailed look at the inner region as well as the flow in the immediate vicinity of the roughness elements. Additionally, planar PIV with lower resolution is performed to capture the remainder of the boundary layer to the freestream flow. Varying the streamwise distance between individual roughness elements from one to ten times the nominal heights allows investigation of k-type and d-type roughness in both the transitionally rough and fully rough regimes. Preliminary results show a shift in the mean velocity profile similar to the results of previous studies. Turbulent statistics will be presented also. The authors would like to acknowledge the support of NAVSEA which funded this project through the Naval Engineering Education Center (NEEC).

  20. Image inpainting on the basis of spectral structure from 2-D nonharmonic analysis.

    PubMed

    Hasegawa, Masaya; Kako, Takahiro; Hirobayashi, Shigeki; Misawa, Tadanobu; Yoshizawa, Toshio; Inazumi, Yasuhiro

    2013-08-01

    The restoration of images by digital inpainting is an active field of research and such algorithms are, in fact, now widely used. Conventional methods generally apply textures that are most similar to the areas around the missing region or use a large image database. However, this produces discontinuous textures and thus unsatisfactory results. Here, we propose a new technique to overcome this limitation by using signal prediction based on the nonharmonic analysis (NHA) technique proposed by the authors. NHA can be used to extract accurate spectra, irrespective of the window function, and its frequency resolution is less than that of the discrete Fourier transform. The proposed method sequentially generates new textures on the basis of the spectrum obtained by NHA. Missing regions from the spectrum are repaired using an improved cost function for 2D NHA. The proposed method is evaluated using the standard images Lena, Barbara, Airplane, Pepper, and Mandrill. The results show an improvement in MSE of about 10-20 compared with the examplar-based method and good subjective quality.

  1. Cyano-bridged coordination polymer hydrogel-derived Sn-Fe binary oxide nanohybrids with structural diversity: from 3D, 2D, to 2D/1D and enhanced lithium-storage performance

    NASA Astrophysics Data System (ADS)

    Zhang, Weiyu; Zhu, Xiaoshu; Chen, Xuguang; Zhou, Yiming; Tang, Yawen; Ding, Liangxin; Wu, Ping

    2016-05-01

    Metal oxide nanohybrids with uniform dimensions and controlled architectures possess unique compositional and structural superiorities, and thus harbor promising potential for a series of applications in energy, catalysis, and sensing systems. Herein, we propose a facile, general, and scalable cyano-bridged coordination polymer hydrogel-derived thermal-oxidation route for the construction of main-group metal and transition-metal heterometallic oxide nanohybrids with controlled constituents and architectures. The formation of Sn-Fe binary oxide nanohybrids has been demonstrated as an example by using cyano-bridged Sn(iv)-Fe(ii) bimetallic coordination polymer hydrogels (i.e., SnCl4-K4Fe(CN)6 cyanogels, Sn-Fe cyanogels) as precursors. The physicochemical properties of Sn-Fe cyanogels with different Sn/Fe ratios have been systematically examined, and it is found that perfect Sn-Fe cyanogels without unbridged Sn(iv) or Fe(ii) can be formed with Sn/Fe ratios from 2 : 1 to 1 : 2. More importantly, the simple adjustment of Sn/Fe ratios in the Sn-Fe cyanogel precursors can realize flexible dimensional control of the Sn-Fe binary oxide nanohybrids, and 2D/1D SnO2-Fe2O3 hierarchitectures, 2D SnO2-Fe2O3 nanosheets, and 3D SnO2-Fe2O3 networks have been synthesized using the Sn-Fe 1 : 2, Sn-Fe 1 : 1, and Sn-Fe 2 : 1 cyanogels as precursors, respectively. To demonstrate their compositional/structural superiorities and potential applications, the lithium-storage utilization of the Sn-Fe binary oxide nanohybrids has been selected as an objective application, and the nanohybrids exhibit Sn/Fe ratio-dependent lithium-storage performance. As a representative example, the 2D/1D SnO2-Fe2O3 hierarchitectures manifest markedly enhanced Li-storage performance in terms of reversible capacities and cycling stability in comparison with their constituent units, i.e., bare SnO2 nanosheets and Fe2O3 nanorods. The proposed cyanogel-derived thermal-oxidation strategy could open up new

  2. Positron 2D-ACAR experiments and electron-positron momentum density in YBa{sub 2}Cu{sub 3}O{sub 7-x}

    SciTech Connect

    Smedskjaer, L.C.; Welp, U.; Fang, Y.; Bailey, K.G.; Bansil, A.

    1991-12-01

    We discuss positron annihilation (2D-ACAR) measurements in the C- projection on an untwinned metallic single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} as a function of temperature, for five temperatures ranging from 30K to 300K. The measured 2D-ACAR intensities are interpreted in terms of the electron-positron momentum density obtained within the KKR-band theory framework. The temperature dependence of the 2D-ACAR spectra is used to extract a ``background corrected`` experimental spectrum which is in remarkable accord with the corresponding band theory predictions, and displays in particular clear signatures of the electron ridge Fermi surface.

  3. Positron 2D-ACAR experiments and electron-positron momentum density in YBa sub 2 Cu sub 3 O sub 7-x

    SciTech Connect

    Smedskjaer, L.C.; Welp, U.; Fang, Y.; Bailey, K.G. ); Bansil, A. . Dept. of Physics)

    1991-12-01

    We discuss positron annihilation (2D-ACAR) measurements in the C- projection on an untwinned metallic single crystal of YBa{sub 2}Cu{sub 3}O{sub 7-x} as a function of temperature, for five temperatures ranging from 30K to 300K. The measured 2D-ACAR intensities are interpreted in terms of the electron-positron momentum density obtained within the KKR-band theory framework. The temperature dependence of the 2D-ACAR spectra is used to extract a background corrected'' experimental spectrum which is in remarkable accord with the corresponding band theory predictions, and displays in particular clear signatures of the electron ridge Fermi surface.

  4. A Comparison of the Performance of 2D Square and Rectangular Dielectric Vein Structures

    DTIC Science & Technology

    2012-09-27

    dielectric vein structure to approximate these photonic crystals. In this case, the numerical model is improved. A rectangular vein structure is...square dielectric vein structure to approximate these photonic crystals. In this case, the numerical model is improved. A rectangular vein...34 REFERENCES 1. Kawano, K. and Kitoh, T., Introduction to Optical Waveguide Analysis : Solving Maxwell’s Equations and the Schrödinger

  5. An algorithm for computing the 2D structure of fast rotating stars

    SciTech Connect

    Rieutord, Michel; Espinosa Lara, Francisco; Putigny, Bertrand

    2016-08-01

    Stars may be understood as self-gravitating masses of a compressible fluid whose radiative cooling is compensated by nuclear reactions or gravitational contraction. The understanding of their time evolution requires the use of detailed models that account for a complex microphysics including that of opacities, equation of state and nuclear reactions. The present stellar models are essentially one-dimensional, namely spherically symmetric. However, the interpretation of recent data like the surface abundances of elements or the distribution of internal rotation have reached the limits of validity of one-dimensional models because of their very simplified representation of large-scale fluid flows. In this article, we describe the ESTER code, which is the first code able to compute in a consistent way a two-dimensional model of a fast rotating star including its large-scale flows. Compared to classical 1D stellar evolution codes, many numerical innovations have been introduced to deal with this complex problem. First, the spectral discretization based on spherical harmonics and Chebyshev polynomials is used to represent the 2D axisymmetric fields. A nonlinear mapping maps the spheroidal star and allows a smooth spectral representation of the fields. The properties of Picard and Newton iterations for solving the nonlinear partial differential equations of the problem are discussed. It turns out that the Picard scheme is efficient on the computation of the simple polytropic stars, but Newton algorithm is unsurpassed when stellar models include complex microphysics. Finally, we discuss the numerical efficiency of our solver of Newton iterations. This linear solver combines the iterative Conjugate Gradient Squared algorithm together with an LU-factorization serving as a preconditioner of the Jacobian matrix.

  6. Analysis of simple 2-D and 3-D metal structures subjected to fragment impact

    NASA Technical Reports Server (NTRS)

    Witmer, E. A.; Stagliano, T. R.; Spilker, R. L.; Rodal, J. J. A.

    1977-01-01

    Theoretical methods were developed for predicting the large-deflection elastic-plastic transient structural responses of metal containment or deflector (C/D) structures to cope with rotor burst fragment impact attack. For two-dimensional C/D structures both, finite element and finite difference analysis methods were employed to analyze structural response produced by either prescribed transient loads or fragment impact. For the latter category, two time-wise step-by-step analysis procedures were devised to predict the structural responses resulting from a succession of fragment impacts: the collision force method (CFM) which utilizes an approximate prediction of the force applied to the attacked structure during fragment impact, and the collision imparted velocity method (CIVM) in which the impact-induced velocity increment acquired by a region of the impacted structure near the impact point is computed. The merits and limitations of these approaches are discussed. For the analysis of 3-d responses of C/D structures, only the CIVM approach was investigated.

  7. Exploring group 14 structures: 1D to 2D to 3D.

    PubMed

    Wen, Xiao-Dong; Cahill, Thomas J; Hoffmann, Roald

    2010-06-11

    Various one-, two- and three-dimensional Group 14 (C, Si, Ge, Sn, and Pb) element structures at P = 1 atm are studied in this work. As expected, coordination number (CN)--not an unambiguous concept for extended structures--plays an important part in the stability of structures. Carbon not only favors four-coordination, but also is quite happy with pi-bonding, allowing three- and even two-coordination to compete. Highly coordinated (CN > 4) discrete carbon molecules are rare; that "saturation of valence" is reflected in the instability of C extended structures with CN > 4. Si and Ge are quite similar to each other in their preferences. They are less biased in their coordination than C, allowing (as their molecular structures do) CN = 5 and 6, but tending towards four-coordination. Sn and Pb 3D structures are very flexible in their bonding, so that in these elements four- to twelve-coordinate structures are close in energy. This lack of discrimination among ordered structures also points to an approach to the liquid state, consistent with the low melting point of Sn and Pb. The Group 14 liquid structures we simulate in molecular dynamics calculations show the expected, effective, first coordination number increase from 5.1 for Si to 10.4 for Pb. A special point of interest emerging from our study is the instability of potential multilayer graphene structures down Group 14. Only for C will these be stable; for all the other Group 14 elements pristine, unprotected, bi- and multilayer graphenes should collapse, forming "vertical" bonds as short as the in-plane ones.

  8. Structure and Dynamics of Asymmetric Poly(styrene-b-1,4-isoprene) Diblock Copolymer under 1D and 2D Nanoconfinement.

    PubMed

    Kipnusu, Wycliffe K; Elmahdy, Mahdy M; Mapesa, Emmanuel U; Zhang, Jianqi; Böhlmann, Winfried; Smilgies, Detlef-M; Papadakis, Christine M; Kremer, Friedrich

    2015-06-17

    The impact of 1- and 2-dimensional (2D) confinement on the structure and dynamics of poly(styrene-b-1,4-isoprene) P(S-b-I) diblock copolymer is investigated by a combination of Scanning Electron Microscopy (SEM), Atomic Force Microscopy (AFM), Grazing-Incidence Small-Angle X-ray Scattering (GISAXS), and Broadband Dielectric Spectroscopy (BDS). 1D confinement is achieved by spin coating the P(S-b-I) to form nanometric thin films on silicon substrates, while in the 2D confinement, the copolymer is infiltrated into cylindrical anodized aluminum oxide (AAO) nanopores. After dissolving the AAO matrix having mean pore diameter of 150 nm, the SEM images of the exposed P(S-b-I) show straight nanorods. For the thin films, GISAXS and AFM reveal hexagonally packed cylinders of PS in a PI matrix. Three dielectrically active relaxation modes assigned to the two segmental modes of the styrene and isoprene blocks and the normal mode of the latter are studied selectively by BDS. The dynamic glass transition, related to the segmental modes of the styrene and isoprene blocks, is independent of the dimensionality and the finite sizes (down to 18 nm) of confinement, but the normal mode is influenced by both factors with 2D geometrical constraints exerting greater impact. This reflects the considerable difference in the length scales on which the two kinds of fluctuations take place.

  9. Controlling quantum-beating signals in 2D electronic spectra by packing synthetic heterodimers on single-walled carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Wang, Lili; Griffin, Graham B.; Zhang, Alice; Zhai, Feng; Williams, Nicholas E.; Jordan, Richard F.; Engel, Gregory S.

    2017-03-01

    In multidimensional spectroscopy, dynamics of coherences between excited states report on the interactions between electronic states and their environment. The prolonged coherence lifetimes revealed through beating signals in the spectra of some systems may result from vibronic coupling between nearly degenerate excited states, and recent observations confirm the existence of such coupling in both model systems and photosynthetic complexes. Understanding the origin of beating signals in the spectra of photosynthetic complexes has been given considerable attention; however, strategies to generate them in artificial systems that would allow us to test the hypotheses in detail are still lacking. Here we demonstrate control over the presence of quantum-beating signals by packing structurally flexible synthetic heterodimers on single-walled carbon nanotubes, and thereby restrict the motions of chromophores. Using two-dimensional electronic spectroscopy, we find that both limiting the relative rotation of chromophores and tuning the energy difference between the two electronic transitions in the dimer to match a vibrational mode of the lower-energy monomer are necessary to enhance the observed quantum-beating signals.

  10. 2-D Joint Structural Inversion of Cross-hole Electrical Resistance and Ground Penetrating Radar Data

    NASA Astrophysics Data System (ADS)

    Bouchedda, Abderrezak; Chouteau, Michel; Giroux, Bernard

    2010-05-01

    We present a joint structural inversion algorithm for cross-hole electrical resistance tomography (ERT) and cross-hole radar travel time tomography (RTT). The algorithm proceeds by combining the exchange of structural information and a regularization method that consists of imposing an L1-norm penalty in the wavelet domain. The minimization of the L1-norm penalty is carried out using an iterative soft-thresholding algorithm. The thresholds are estimated by maximizing a structural similarity criterion, which is a function of the two (ERT and RTT) inverted models. To solve this optimization subproblem, we used the simultaneous perturbation stochastic approach. Besides, the regularization in the wavelet basis allows for the possibility of sharp discontinuities superimposed on a smoothly varying background. Hence the structural information is extracted from each model using a Canny edge detector. The detected edge is used to construct a weighting matrix that is applied to alter the smoothness matrix constraint. To validate our methodology and its implementation, responses from two models were modelled. Experiments demonstrate that the proposed approach improves the spatial resolution and quantitative estimation of physical parameters. In addition, in comparison with joint structural inversion with only the exchange of structural information, our method avoids undesirable bias introduced by the exchange of structural information when the boundaries are near each other. Finally, the proposed algorithm will be applied to real data in the near future to evaluate its performance.

  11. Self-assembly of 2D sandwich-structured MnFe{sub 2}O{sub 4}/graphene composites for high-performance lithium storage

    SciTech Connect

    Li, Songmei Wang, Bo; Li, Bin; Liu, Jianhua; Yu, Mei; Wu, Xiaoyu

    2015-01-15

    Highlights: • MFO/GN composites were synthesized by a facile in situ solvothermal approach. • The MFO microspheres are sandwiched between the graphene layers. • Each MFO microsphere is an interstitial cluster of nanoparticles. • The MFO/GN electrode exhibits an enhanced cyclability for Li-ion batteries anodes. - Abstract: In this study, two-dimensional (2D) sandwich-structured MnFe{sub 2}O{sub 4}/graphene (MFO/GN) composites are synthesized by a facile in situ solvothermal approach, using cetyltrimethylammonium bromide (CTAB) as cationic surfactant. As a consequence, the nanocomposites of MFO/GN self-assembled into a 2D sandwich structure, in which the interstitial cluster structure of microsphere-type MnFe{sub 2}O{sub 4} is sandwiched between the graphene layers. This special structure of the MFO/GN composites used as anodes for lithium-ion batteries will be favorable for the maximum accessible surface of electroactive materials, fast diffusion of lithium ions and migration of electron, and elastomeric space to accommodate volume changes during the discharge–charge processes. The as-synthesized MFO/GN composites deliver a high specific reversible capacity of 987.95 mA h g{sup −1} at a current density of 200 mA g{sup −1}, a good capacity retention of 69.27% after 80 cycles and excellent rate performance for lithium storage.

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

    PubMed

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

    2016-06-01

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

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

    PubMed Central

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

    2016-01-01

    Time reversal dictates that nonmagnetic, centrosymmetric crystals cannot be spin-polarized as a whole. However, it has been recently shown that the electronic structure in these crystals can in fact show regions of high spin-polarization, as long as it is probed locally in real and in reciprocal space. In this article we present the first observation of this type of compensated polarization in MoS2 bulk crystals. Using spin- and angle-resolved photoemission spectroscopy (ARPES), we directly observed a spin-polarization of more than 65% for distinct valleys in the electronic band structure. By additionally evaluating the probing depth of our method, we find that these valence band states at the point in the Brillouin zone are close to fully polarized for the individual atomic trilayers of MoS2, which is confirmed by our density functional theory calculations. Furthermore, we show that this spin-layer locking leads to the observation of highly spin-polarized bands in ARPES since these states are almost completely confined within two dimensions. Our findings prove that these highly desired properties of MoS2 can be accessed without thinning it down to the monolayer limit. PMID:27245646

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

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

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

  15. Anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework

    SciTech Connect

    Lee, Li-Wei; Luo, Tzuoo-Tsair; Wang, Chih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh

    2016-07-15

    A Cd(II)–organic framework {[Cd_2(tpim)_4(SO_4)(H_2O)_2]·(SO_4)·21H_2O}{sub n} (1) was synthesized by reacting CdSO{sub 4}·8/3H{sub 2}O and 2,4,5-tri(4-pyridyl)imidazole (tpim) under hydrothermal conditions. A structural analysis showed that compound 1 adopts a layered structure in which the [Cd(tpim){sub 2}]{sub n} chains are linked by sulfate anions. These 2D layers are further packed into a 3D supramolecular framework via π–π interactions. The structure contains two types of SO{sub 4}{sup 2−} anions, i.e., bridging SO{sub 4}{sup 2−} and free SO{sub 4}{sup 2−} anions, the latter of which are included in the large channels of the framework. Compound 1 exhibits interesting anion exchange behavior. In the presence of SCN{sup −} anions, both the bridging and free SO{sub 4}{sup 2−} anions in 1 were completely exchanged by SCN{sup −} ligands to form a 1D species [Cd(tpim){sub 2}(SCN){sub 2}] (1A), in which the SCN{sup –} moieties function as a monodentate ligand. On the other hand, when compound 1 was ion exchanged with N{sub 3}{sup −} anions in aqueous solution, the bridging SO{sub 4}{sup 2−} moieties remained intact, and only the free guest SO{sub 4}{sup 2−} were replaced by N{sub 3}{sup −} anions. The gas adsorption behavior of the activated compound 1 was also investigated. - Highlights: • An interesting anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)–organic framework is reported. • The sulfate-incorporated 2D layer compound exhibits very different anion exchange behavior with respect to SCN{sup −} and N{sub 3}{sup −}. • Both the bridging and free SO{sub 4}{sup 2−} anions in the 2D structure were completely exchanged by SCN{sup −} ligands, resulting in the formation of a 1D species. However, in the case of N{sub 3}{sup −} anions, only the free guest SO{sub 4}{sup 2−} in the structure was replaced.

  16. Modeling and characterization of 2-D and 3-D textile structural composites

    SciTech Connect

    Yang, J.M.

    1986-01-01

    This dissertation studies the analytical modeling and experimental characterization of various two-dimensional and three-dimensional textile structure composites. In the analytical approach, various theoretical models were established to predict the stiffness, strength, nonlinear deformation, and failure behavior of triaxial woven-fabric composites, 3-D braided composites, and multilayer multidirectional warp knit fabric composites in polymer and metal matrices. The structure performance maps of various textile structural composites were also established, based upon these analytical methods. In the experimental approach, extensive mechanical testing and microstructural characterization were performed to investigate the thermomechanical properties and failure behavior of 3-D braided FP/Al composites. Results of this research will serve as the basis for assessing the potential of textile composites for structural applications.

  17. 2D and 3D reconstruction and geomechanical characterization of kilometre-scale complex folded structures

    NASA Astrophysics Data System (ADS)

    Zanchi, Andrea; Agliardi, Federico; Crosta, Giovanni B.; Villa, Alberto; Bistacchi, Andrea; Iudica, Gaetano

    2015-04-01

    The geometrical, structural and geomechanical characterization of large-scale folded structures in sedimentary rocks is an important issue for different geological and geo-hazard applications (e.g. hydrocarbon and geothermal reservoir exploitation, natural rock slope stability, mining, and tunnelling). Fold geometry controls topography and the spatial distribution of rock types with different strength and permeability. Fold-related fracture systems condition the fracture intensity, degree of freedom, and overall strength of rock masses. Nevertheless, scale issues and limited accessibility or partial exposure of structures often hamper a complete characterization of these complex structures. During the last years, advances in remote survey techniques as terrestrial Lidar (TLS) allowed significant improvements in the geometrical and geological characterization of large or inaccessible outcrops. However, sound methods relating structures to rock mass geomechanical properties are yet to be developed. Here we present results obtained by integrating remote survey and field assessment techniques to characterize a folded sedimentary succession exposed in unreachable vertical rock walls. The study area is located in the frontal part of the Southern Alps near Bergamo, Italy. We analysed large-scale detachment folds developed in the Upper Triassic sedimentary cover in the Zu Limestone. Folds are parallel and disharmonic, with regular wavelengths and amplitudes of about 200-250 m. We used a Riegl VZ-1000 long-range laser scanner to obtain points clouds with nominal spacings between 5 cm and 20 cm from 9 scan positions characterized by range between 350 m and 1300 m. We fixed shadowing and occlusion effects related to fold structure exposure by filling point clouds with data collected by terrestrial digital photogrammetry (TDP). In addition, we carried out field surveys of fold-related brittle structures and their geomechanical attributes at key locations. We classified cloud

  18. Three 2D Ag(I)-framework isomers with helical structures controlled by the chirality of camphor-10-sulfonic acid.

    PubMed

    Guo, Peng

    2011-02-28

    Three 2D Ag(I)-framework isomers were constructed from enantiopure camphor-10-sulfonic acids or racemic camphor-10-sulfonic acids, together with achiral 4-aminobenzoic acids. In complex 1, (+)-camphor-10-sulfonic acids bridge the single left-handed helices that are made up of Ag ions and 4-aminobenzoic acids, generating a homochiral 2D layer. In such a structure, the interweaving of triple left-handed homohelices was also found. It is worth noting that the helicity of complex 2 could be controlled by the handedness of the camphor-10-sulfonic acid. In complex 2, there are right-handed helical structures, including single right-handed and triple right-handed helical structures connected by (-)-camphor-10-sulfonic acids. For a comparative study, (±)-camphor-10-sulfonic acids were utilized to synthesize complex 3, in which equal numbers of right-handed or left-handed double-helical chains are created. All the complexes were characterized by single-crystal X-ray structure determination, powder X-ray diffraction, IR, TGA and element analysis. Circular dichroism spectra of complexes 1 and 2 were been studied to confirm the fact that enantiopure bridging ligands do not racemize.

  19. Learning the 3-D structure of objects from 2-D views depends on shape, not format

    PubMed Central

    Tian, Moqian; Yamins, Daniel; Grill-Spector, Kalanit

    2016-01-01

    Humans can learn to recognize new objects just from observing example views. However, it is unknown what structural information enables this learning. To address this question, we manipulated the amount of structural information given to subjects during unsupervised learning by varying the format of the trained views. We then tested how format affected participants' ability to discriminate similar objects across views that were rotated 90° apart. We found that, after training, participants' performance increased and generalized to new views in the same format. Surprisingly, the improvement was similar across line drawings, shape from shading, and shape from shading + stereo even though the latter two formats provide richer depth information compared to line drawings. In contrast, participants' improvement was significantly lower when training used silhouettes, suggesting that silhouettes do not have enough information to generate a robust 3-D structure. To test whether the learned object representations were format-specific or format-invariant, we examined if learning novel objects from example views transfers across formats. We found that learning objects from example line drawings transferred to shape from shading and vice versa. These results have important implications for theories of object recognition because they suggest that (a) learning the 3-D structure of objects does not require rich structural cues during training as long as shape information of internal and external features is provided and (b) learning generates shape-based object representations independent of the training format. PMID:27153196

  20. Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors

    SciTech Connect

    Kryzhevich, Dmitrij S. E-mail: kost@ispms.ru; Zolnikov, Konstantin P. E-mail: kost@ispms.ru; Abdrashitov, Andrei V.; Lerner, Marat I.; Psakhie, Sergey G.

    2014-11-14

    A molecular dynamics simulation of nanoparticle formation in simultaneous electric explosion of conductors is performed. Interatomic interaction is described using potentials calculated in the framework of the embedded atom method. High-rate heating results in failure of the conductors with the formation of nanoparticles. The influence of the heating rate, temperature distribution over the specimen cross-section and the distance between simultaneously exploded conductors on the structure of formed nanoparticles is studied. The calculation results show that the electric explosion of conductors allows the formation of nanoparticles with block structure.

  1. Structural Disorder of Folded Proteins: Isotope-Edited 2D IR Spectroscopy and Markov State Modeling

    PubMed Central

    Baiz, Carlos R.; Tokmakoff, Andrei

    2015-01-01

    The conformational heterogeneity of the N-terminal domain of the ribosomal protein L9 (NTL91-39) in its folded state is investigated using isotope-edited two-dimensional infrared spectroscopy. Backbone carbonyls are isotope-labeled (13C=18O) at five selected positions (V3, V9, V9G13, G16, and G24) to provide a set of localized spectroscopic probes of the structure and solvent exposure at these positions. Structural interpretation of the amide I line shapes is enabled by spectral simulations carried out on structures extracted from a recent Markov state model. The V3 label spectrum indicates that the β-sheet contacts between strands I and II are well folded with minimal disorder. The V9 and V9G13 label spectra, which directly probe the hydrogen-bond contacts across the β-turn, show significant disorder, indicating that molecular dynamics simulations tend to overstabilize ideally folded β-turn structures in NTL91-39. In addition, G24-label spectra provide evidence for a partially disordered α-helix backbone that participates in hydrogen bonding with the surrounding water. PMID:25863066

  2. Synthesis, structural, and photophysical studies of π-fused acenaphtho[1,2-d]imidazole-based excited-state intramolecular proton transfer molecules

    NASA Astrophysics Data System (ADS)

    Somasundaram, Sivaraman; Kamaraj, Eswaran; Hwang, Su Jin; Jung, Sooyoung; Choi, Moon Gun; Park, Sanghyuk

    2017-06-01

    Orange-red fluorescent molecules are promising materials for use in a new generation of displays, light sources, and chemosensors because conventional red-emitters have lower fluorescence quantum efficiencies. In this work, a set of orange-emitting fused imidazole series 2-(7-(4-fluorophenyl)-7H-acenaphtho[1,2-d]imidazol-8-yl)phenol (AHPI-F), 2-(7-(4-chlorophenyl)-7H-acenaphtho[1,2-d]imidazol-8-yl)phenol (AHPI-Cl), and 2-(7-(4-bromophenyl)-7H-acenaphtho[1,2-d]imidazol-8-yl)phenol (AHPI-Br) have been synthesized via multicomponent reaction method with high yield. Synthesized molecules were fully characterized by 1H NMR, 13C NMR, GC-Mass, UV-vis. absorption, PL, and TGA-DSC. The compounds AHPI-F, AHPI-Cl, AHPI-Br showed large Stokes' shifted emission due to excited-state intramolecular proton transfer (ESIPT) process, and they effectively formed large single crystals. The crystal structure of each compound was identified by X-ray crystallographic analysis. To elucidate the photophysical properties of the molecule, theoretical calculation were performed by density functional theory (DFT) with B3LYP 6-31G(d,p) basis sets using the identified molecular conformations from X-ray analysis. Calculated electronic properties including HOMO-LUMO levels were compared with the experimental results. As a result of ESIPT process, extended conjugation length through acenaphto[1,2-d]imidazole, and charge transfer characteristics by the introduction of halogen atoms, all of the materials showed orange ESIPT emission with no spatial overlap between absorption (λmax,abs = 325 nm) and emission (λmax,ems = 578 nm).

  3. Structural study of synthetic mica montmorillonite by means of 2D MAS NMR experiments

    NASA Astrophysics Data System (ADS)

    Alba, M. D.; Castro, M. A.; Chain, P.; Naranjo, M.; Perdigón, A. C.

    2005-07-01

    Syn-1, is a synthetic mica montmorillonite interstratified mineral that forms one of the standard clay samples in the Clay Minerals Society Source Clays Project. However, there are still controversies regarding some structural aspects such as the interlayer composition or the location of the extra-aluminium determined by chemical analysis. The main objective of this paper is to shed light on those structural aspects that affect the reactivity of the interstratified minerals. For this purpose, we have used 1 H 29 Si and 1 H 27Al HETCOR MAS NMR to show that it is likely that the interlayer space of the beidellite part is composed of ammonium ions whereas ammonium and aluminium ions are responsible for the charge balance in the mica type layer.

  4. Tuning the Structural Color of a 2D Photonic Crystal Using a Bowl-like Nanostructure.

    PubMed

    Umh, Ha Nee; Yu, Sungju; Kim, Yong Hwa; Lee, Su Young; Yi, Jongheop

    2016-06-22

    Structural colors of the ordered photonic nanostructures are widely used as an effective platform for manipulating the propagation of light. Although several approaches have been explored in attempts to mimic the structural colors, improving the reproducibility, mechanical stability, and the economic feasibility of sophisticated photonic crystals prepared by complicated processes continues to pose a challenge. In this study, we report on an alternative, simple method for fabricating a tunable photonic crystal at room temperature. A bowl-like nanostructure of TiO2 was periodically arranged on a thin Ti sheet through a two-step anodization process where its diameters were systemically controlled by changing the applied voltage. Consequently, they displayed a broad color distribution, ranging from red to indigo, and the principal reason for color generation followed the Bragg diffraction theory. This noncolorant method was capable of reproducing a Mondrian painting on a centimeter scale without the need to employ complex architectures, where the generated structural colors were highly stable under mechanical or chemical influence. Such a color printing technique represents a potentially promising platform for practical applications for anticounterfeit trademarks, wearable sensors, and displays.

  5. Reverse modeling of 2D and 3D diapiric salt structures

    NASA Astrophysics Data System (ADS)

    Fernandez, N.; Kaus, B.

    2013-12-01

    Mechanical forward modeling of salt diapirs formed by two different processes (differential loading and buoyancy driven) has been widely performed with numerical codes in many studies, whereas works focusing on the dynamic retro-deformation of such structures remain scarce. Buoyancy driven diapirs, in which the density difference between salt and overburden induces upward motion of salt, have been successfully retro-deformed in two and three dimensions using simple rheologies for the salt and overburden (e.g., Kaus & Podladchikov 2001). However, retro-deformation of down-building diapirs (syndepositional process in which salt structures grow while sediments are being deposited) using mechanical codes has only been done in two dimensions (e.g., Ismael-Zadeh et al. 2001), even though the importance of three-dimensionality in salt diapirism is accepted. We have used the two-dimensional visco-elasto-plastic finite element code MILAMIN_VEP to perform both forward and backward simulations and to check the validity of a reversed time step method (Kaus & Podladchikov 2001 and Ismael-Zadeh et al. 2001) for a wide range of parameters, variable sedimentation rates, and for non-linear rheologies. Forward simulations are run until the salt layer is exhausted and then a reverse time step is applied in order to retro-deform the model. Down-building process was mimicked using a fast-erosion condition at the surface, which keeps it flat and redistributes material at every time step. Initially, we have tested our method by retro-deforming salt structures that develop from an interface that is sinusoidally perturbed. More realistic simulations were performed by starting with randomly perturbed salt interface and using different rheological parameters for the salt and the overburden as well as variable sedimentation rates. Once the method has been proved successful for different parameters in two dimensions, the finite differences parallel code LaMEM has also been used to dynamically

  6. 2-D photonic crystals microcavity filters based on hexagonal lattice structures embedded in ridge waveguides

    NASA Astrophysics Data System (ADS)

    Jugessur, A. S.; Pottier, P.; De La Rue, R. M.; Kirk, A. G.

    2005-09-01

    Compact photonic crystal (PhC) microcavity filters in a ridge waveguide format could play a useful role for wavelength division multiplexing (WDM) and de-multiplexing functionality in dense integrated photonic circuits. The microcavity filters are embedded in ridge waveguides with high lateral refractive-index contrast because good lateral confinement and efficient coupling of light into the device can be achieved using this established waveguide technology. However, this configuration leads to significant modal mismatch at the interfaces between the PhC and waveguide sections, contributing to reflection losses and reduced transmission over much of the useful spectrum. By the same token, mode-matching features consisting of two rows of PhC holes with a different filling factor and displaced to mirror-image positions with respect to the outer two rows of the main PhC mirrors have been implemented to enhance the optical transmission by more than a factor of two. Furthermore, an increase in Q-factor (more than 100 %) is achieved by the addition of two further rows of PhC holes on either side of the microcavity. Moreover, Bragg-grating concepts have been applied in several other filter designs using the same hexagonal PhC lattice configuration, in an attempt to control the filter response. This work involves the design, fabrication (using electron-beam lithography and reactive ion etching) and characterization of such hexagonal-lattice PhC microcavity filters embedded in ridge waveguides.

  7. Protein folding simulations of 2D HP model by the genetic algorithm based on optimal secondary structures.

    PubMed

    Huang, Chenhua; Yang, Xiangbo; He, Zhihong

    2010-06-01

    In this paper, based on the evolutionary Monte Carlo (EMC) algorithm, we have made four points of ameliorations and propose a so-called genetic algorithm based on optimal secondary structure (GAOSS) method to predict efficiently the protein folding conformations in the two-dimensional hydrophobic-hydrophilic (2D HP) model. Nine benchmarks are tested to verify the effectiveness of the proposed approach and the results show that for the listed benchmarks GAOSS can find the best solutions so far. It means that reasonable, effective and compact secondary structures (SSs) can avoid blind searches and can reduce time consuming significantly. On the other hand, as examples, we discuss the diversity of protein GSC for the 24-mer and 85-mer sequences. Several GSCs have been found by GAOSS and some of the conformations are quite different from each other. It would be useful for the designing of protein molecules. GAOSS would be an efficient tool for the protein structure predictions (PSP).

  8. Surviving structure in colloidal suspensions squeezed from 3D to 2D.

    PubMed

    Klapp, Sabine H L; Zeng, Yan; Qu, Dan; von Klitzing, Regine

    2008-03-21

    Combining colloidal-probe experiments and computer simulations, we analyze the solvation forces F of charged silica colloids confined in films of various thicknesses h. We show that the oscillations characterizing F(h), for sufficiently large h, are determined by the dominant wavelength of the bulk radial distribution function. As a consequence, both quantities display the same power-law density dependence. This is the first direct evidence, in a system treatable both by experiment and by simulation, that the structural wavelength in bulk and confinement coincide, in agreement with predictions from density functional theory. Moreover, theoretical and experimental data are in excellent quantitative agreement.

  9. 2-D Hierarchical Structure of a Block Copolymer and Bio-nanoparticle Composites

    NASA Astrophysics Data System (ADS)

    Shin, Dongseok; Lin, Yao; Wang, Qian; Russell, Thomas

    2007-03-01

    2-dimensional hierarchical structures were generated by combining two different self assembling systems; block copolymer and bio-nanoparticle. For this study, a block copolymer having a positively charged component, i.e. poly (styrene-b-N-methyl-4-vinylpyridinium iodide), was used. Thin film composites of this block copolymer and bio-nanoparticles were fabricated by adsorbing bio-particles on the polymer film and subsequently annealing the sample under the presence of solvent vapor. 2-dimensional hierarchical structures, where block copolymer chains microphase separated inside of discrete grains surrounded by bio-nanoparticles, were obtained with rod- like bio-particles (tobacco mosaic virus and M13 phage) as well as with spherical one (ferritin). The pH effect on the assembly of rod-like bio-particles and the morphology of composites was investigated. When the pH of the solution used for the adsorption of bio-particles was low, the bio-molecules aggregated and formed large bundles, while they were dispersed well at high pH. This difference was reflected in the morphology of the resultant complexes.

  10. Two novel 2D lanthanide sulfate frameworks: Syntheses, structures, and luminescence properties

    NASA Astrophysics Data System (ADS)

    Li, Zhong-Yi; Zhang, Chi; Zhang, Fu-Li; Zhang, Fu-Qiang; Zhang, Xiang-Fei; Li, Su-Zhi; Cao, Guang-Xiu; Zhai, Bin

    2016-03-01

    Two novel lanthanide-sulfate compounds, [Ln2(SO4)3(H2O)8] (Ln = Tb (1) and Dy (2)), have been synthesized under hydrothermal reactions. X-ray crystal structure analyses reveal that 1 and 2 are isomorphous and crystallize in monoclinic C2/c pace group, showing a layered structure. The layers bear a rare quasi-honeycomb metal arrangement, which is fastened by μ3 = η1:η1:η1 and μ2 = η1:η1 sulfates. If assigning the μ3 = η1:η1:η1 sulfate as a 3-connected node and the Ln3+ ion as a 4-connected node, the network can be rationalized as a binodal (3,4)-connected V2O5 topology with a Schäfli symbol of (42·63·8) (42·6). In addition, the infrared, thermogravimetric analysis and luminescent properties were also studied. Complexes 1 and 2 exhibit outstanding thermal stability and characteristic terbium and dysprosium luminescence.

  11. Mixed 1D-2D inorganic polymeric zinc ferrocenylphosphonate: crystal structure and electrochemical study.

    PubMed

    Oms, Olivier; Le Bideau, Jean; Leroux, Fabrice; van der Lee, Arie; Leclercq, Dominique; Vioux, André

    2004-09-29

    Needs for ferrocene immobilization on robust host structures are considerable since derivative materials may find applications in medical areas, optical devices, or catalysis. Synthesis of phosphonate functionalized ferrocene allowed its subsequent inorganic polymerization with a zinc salt. The crystallographic structure of the compound obtained, Zn(HO(3)PFc)(2).2H(2)O, shows a unique two-dimensional ferrocene arrangement anchored on a one-dimensional Zn-O-P-O-Zn backbone. The ferrocene packing in the title compound is very similar to the packing found in molecular ferrocene. The electroactivity of Zn(HO(3)PFc)(2).2H(2)O is thoroughly studied. It shows a reversible surface oxidation of ferrocene. Mössbauer spectroscopy for the oxidized compound shows an isomer shift of IS(2b) = 0.432 mm x s(-1) and a quadrupolar splitting of QS(2b) = 0.205 mm x s(-1), which is consistent with a stable S = 1/2 ferrocenium state. The magnetic susceptibility study, Mössbauer spectroscopy, and galvanostatic titration show that only the ferrocene moieties present at the surface of the crystallites are reversibly oxidized. This observation is reinforced by a complex impedance study showing mainly resistive behavior and conductivity measurements indicating weak, thermally assisted, conductivity. The general properties of this compound demonstrate that phosphonato functionalization may be a useful approach for all fields concerned by immobilization of ferrocene.

  12. Morphometric structural diversity of a natural armor assembly investigated by 2D continuum strain analysis.

    PubMed

    Varshney, Swati; Song, Juha; Li, Yaning; Boyce, Mary C; Ortiz, Christine

    2015-12-01

    Many armored fish scale assemblies use geometric heterogeneity of subunits as a design parameter to provide tailored biomechanical flexibility while maintaining protection from external penetrative threats. This study analyzes the spatially varying shape of individual ganoid scales as a structural element in a biological system, the exoskeleton of the armored fish Polypterus senegalus (bichir). X-ray microcomputed tomography is used to generate digital 3D reconstructions of the mineralized scales. Landmark-based geometric morphometrics is used to measure the geometric variation among scales and to define a set of geometric parameters to describe shape variation. A formalism using continuum mechanical strain analysis is developed to quantify the spatial geometry change of the scales and illustrate the mechanisms of shape morphing between scales. Five scale geometry variants are defined (average, anterior, tail, ventral, and pectoral fin) and their functional implications are discussed in terms of the interscale mobility mechanisms that enable flexibility within the exoskeleton. The results suggest that shape variation in materials design, inspired by structural biological materials, can allow for tunable behavior in flexible composites made of segmented scale assemblies to achieve enhanced user mobility, custom fit, and flexibility around joints for a variety of protective applications. Copyright © 2015. Published by Elsevier Inc.

  13. The effect of electron-hole scattering on transport properties of a 2D semimetal in the HgTe quantum well

    SciTech Connect

    Entin, M. V.; Magarill, L. I.; Olshanetsky, E. B. Kvon, Z. D.; Mikhailov, N. N.; Dvoretsky, S. A.

    2013-11-15

    The influence of e-h scattering on the conductivity and magnetotransport of 2D semimetallic HgTe is studied both theoretically and experimentally. The presence of e-h scattering leads to the friction between electrons and holes resulting in a large temperature-dependent contribution to the transport coefficients. The coefficient of friction between electrons and holes is determined. The comparison of experimental data with the theory shows that the interaction between electrons and holes based on the long-range Coulomb potential strongly underestimates the e-h friction. The experimental results are in agreement with the model of strong short-range e-h interaction.

  14. Synthesis, electronic and opto-electronic transport properties of atomically thin 2D layers of MoS2, WSe2 and CuIn 7Se11

    NASA Astrophysics Data System (ADS)

    Ghosh, Sujoy

    The recent emergence of a new class of two dimensional layered materials (2DLMs) have not only opened up the potential for exciting new technological opportunities but also established a new platform to explore exciting new fundamental physics and chemistry at the limit of atomic thickness. Among several of these newly rediscovered 2DLMs, transition metal dichalcogenides (TMDCs) as well as other elemental combinations of Group III and Group VI represent a large family of 2D layered materials, which can be isolated into few atomic layers. These materials show remarkable promise for future electronic and opto-electronics applications. The scope of this dissertation, thus, broadly covers the electronic and opto-electronic properties of such few layered 2D materials. Extensive investigation of electronic and opto-electronic transport phenomena of charge carriers in few layer MoS2 synthesized using a variety of methods such as Chemical Vapor Deposition (CVD), liquid phase exfoliation and mechanical exfoliation as well as CVT grown mechanically exfoliated WSe2 and ternary alloy of CuIn7Se11 is reported. Specifically, it is shown that in case of MoS2, the ac conductance (sigma(o); measured in the range of 10mHz < o < 0.1 MHz) of atomically thin 2D layers of chemical vapor deposited (CVD) Molybdenum Disulphide (MoS2) as well as thin films of exfoliated flakes of MoS2, show "universal" power law behavior (with sigma(o) os). The temperature dependence of 's' indicate that the mechanism of ac transport in CVD MoS2 is due to electron hopping by quantum mechanical tunneling (QMT) process whereas the ac transport in exfoliated MoS2 films is due to correlated barrier hoping (CBH) mechanism. The ac conductivity also show scaling behavior, manifested by collapse of the ac conductivity data for both the samples at various temperatures to one single master curve. The T-gamma dependence of the d.c conductance suggests that in case of the CVD - grown and mechanically exfoliated MoS2

  15. TUNABLE Band Structures of 2d Multi-Atom Archimedean-Like Phononic Crystals

    NASA Astrophysics Data System (ADS)

    Xu, Y. L.; Chen, C. Q.; Tian, X. G.

    2012-06-01

    Two dimensional multi-atom Archimedean-like phononic crystals (MAPCs) can be obtained by adding "atoms" at suitable positions in primitive cells of traditional simple lattices. Band structures of solid-solid and solid-air MAPCs are computed by the finite element method in conjunction with the Bloch theory. For the solid-solid system, our results show that the MAPCs can be suitably designed to split and shift band gaps of the corresponding traditional simple phononic crystal (i.e., with only one scatterer inside a primitive cell). For the solid-air system, the MAPCs have more and wider band gaps than the corresponding traditional simple phononic crystal. Numerical calculations for both solid-solid and solid-air MAPCs show that the band gap of traditional simple phononic crystal can be tuned by appropriately adding "atoms" into its primitive cell.

  16. Algorithms for the automatic generation of 2-D structured multi-block grids

    NASA Technical Reports Server (NTRS)

    Schoenfeld, Thilo; Weinerfelt, Per; Jenssen, Carl B.

    1995-01-01

    Two different approaches to the fully automatic generation of structured multi-block grids in two dimensions are presented. The work aims to simplify the user interactivity necessary for the definition of a multiple block grid topology. The first approach is based on an advancing front method commonly used for the generation of unstructured grids. The original algorithm has been modified toward the generation of large quadrilateral elements. The second method is based on the divide-and-conquer paradigm with the global domain recursively partitioned into sub-domains. For either method each of the resulting blocks is then meshed using transfinite interpolation and elliptic smoothing. The applicability of these methods to practical problems is demonstrated for typical geometries of fluid dynamics.

  17. The theory of tunneling in normal metal/d-type superconductor 2D-structures

    SciTech Connect

    Devyatov, I. A. Goncharov, D. V.; Kupriyanov, M. Yu.

    2001-04-15

    A sequential theoretical analysis is performed of tunneling in normal metal/d-type superconductor structures which contain scattering centers in the interlayer between a normal metal and a superconductor. As a result, it is demonstrated that the presence of a scattering center inside an insulator interlayer leads to partial suppression of previously predicted anomalously high values of conductance in the low-voltage region (zero bias anomaly (ZBA)). In so doing, the inclusion of the “interference” term in the current operator (interference of tunneling through a scattering center with direct potential tunneling) results in the suppression of ZBA. The predicted effect is virtually independent both of the position of the scattering center in the interlayer and of the shape of the resonance curve of scattering (which is Lorentzian in the case of resonance tunneling through the scattering center).

  18. Ellipse fitting of short light stripe for structured-light-based 2D vision inspection

    NASA Astrophysics Data System (ADS)

    Zhang, Guangjun; Wei, Zhenzhong

    2003-09-01

    Structured light based 3D vision has wide applications in inspecting the form and position errors like straightness and coaxiality of cylindrical workpieces. But for these applications, the light stripe on the workpiece's surface is much too short, and contains inadequate data information, even with some noise. Under such circumstances, the ellipse fitting to the scattered data of the light stripe is not efficient enough, and its fitting accuracy is usually poor. To address this problem, a new least-square fitting method based on the constraint of ellipse minor axis (called CEMA method) is proposed in detail in this paper. Simulations are given for the proposed method and for five other popular methods described in the literature. The results show that the proposed method can efficiently improve the accuracy and the robustness of ellipse fitting to the scattered data of short light stripe.

  19. Structure elucidation of organic compounds from natural sources using 1D and 2D NMR techniques

    NASA Astrophysics Data System (ADS)

    Topcu, Gulacti; Ulubelen, Ayhan

    2007-05-01

    In our continuing studies on Lamiaceae family plants including Salvia, Teucrium, Ajuga, Sideritis, Nepeta and Lavandula growing in Anatolia, many terpenoids, consisting of over 50 distinct triterpenoids and steroids, and over 200 diterpenoids, several sesterterpenoids and sesquiterpenoids along with many flavonoids and other phenolic compounds have been isolated. For Salvia species abietanes, for Teucrium and Ajuga species neo-clerodanes for Sideritis species ent-kaurane diterpenes are characteristic while nepetalactones are specific for Nepeta species. In this review article, only some interesting and different type of skeleton having constituents, namely rearranged, nor- or rare diterpenes, isolated from these species will be presented. For structure elucidation of these natural diterpenoids intensive one- and two-dimensional NMR techniques ( 1H, 13C, APT, DEPT, NOE/NOESY, 1H- 1H COSY, HETCOR, COLOC, HMQC/HSQC, HMBC, SINEPT) were used besides mass and some other spectroscopic methods.

  20. VRANCEA2001 - 2-D Crustal Velocity Structure Across the Earthquake Prone Vrancea Region in Romania

    NASA Astrophysics Data System (ADS)

    Hauser, F.; Raileanu, V.; Landes, M.; Bala, A.; Prodehl, C.; Fielitz, W.

    2002-12-01

    The Vrancea zone in Romania is one of the most active seismic zones in Europe. Intermediate-depth earthquakes (70-200 km) with magnitudes in excess of Mw=7.0 occur in a geographically restricted area within the bending region of the south-eastern Carpathians. The seismic refraction project VRANCEA2001 was carried out in August-September 2001 in order to study the crustal and uppermost mantle structure in this region. It is a contribution to the German-Romanian research program "Strong Earthquakes - A Challenge for Geosciences and Civil Engineering" which was initiated in 1996. Ten chemical sources, between 300 kg and 1500 kg were used along this 400 km long E-W trending profile. This resulted in an average shot point spacing of 40 km, while the receiver spacing was about 1 km. In a first step P-wave first arrival times were picked and inverted using a non-linear high-resolution tomographic technique (Hole 1992, 1995). The results show only modest variations in the crustal velocities. The most notable feature is the very deep (ca. 15-20 km) Focsani Basin. Here, velocities increase from 2 km/s at the surface to 5.8 km/s at the sediment-basement interface. Since intra-crustal and Moho reflections are prominent on most seismic sections, they can be used to constrain deeper structures. Here, results indicate a down warp of only the mid-crustal discontinuity under the Carpathian Mountains and the Focsani Basin. Surprisingly, the Moho shows no crustal root, but shallows slightly from some 40 km in the east to about 35 km in the west.

  1. Scaling Analysis of Ocean Surface Turbulent Heterogeneities from Satellite Remote Sensing: Use of 2D Structure Functions.

    PubMed

    Renosh, P R; Schmitt, Francois G; Loisel, Hubert

    2015-01-01

    Satellite remote sensing observations allow the ocean surface to be sampled synoptically over large spatio-temporal scales. The images provided from visible and thermal infrared satellite observations are widely used in physical, biological, and ecological oceanography. The present work proposes a method to understand the multi-scaling properties of satellite products such as the Chlorophyll-a (Chl-a), and the Sea Surface Temperature (SST), rarely studied. The specific objectives of this study are to show how the small scale heterogeneities of satellite images can be characterised using tools borrowed from the fields of turbulence. For that purpose, we show how the structure function, which is classically used in the frame of scaling time series analysis, can be used also in 2D. The main advantage of this method is that it can be applied to process images which have missing data. Based on both simulated and real images, we demonstrate that coarse-graining (CG) of a gradient modulus transform of the original image does not provide correct scaling exponents. We show, using a fractional Brownian simulation in 2D, that the structure function (SF) can be used with randomly sampled couple of points, and verify that 1 million of couple of points provides enough statistics.

  2. 2D IR spectroscopy of histidine: probing side-chain structure and dynamics via backbone amide vibrations.

    PubMed

    Ghosh, Ayanjeet; Tucker, Matthew J; Gai, Feng

    2014-07-17

    It is well known that histidine is involved in many biological functions due to the structural versatility of its side chain. However, probing the conformational transitions of histidine in proteins, especially those occurring on an ultrafast time scale, is difficult. Herein we show, using a histidine dipeptide as a model, that it is possible to probe the tautomer and protonation status of a histidine residue by measuring the two-dimensional infrared (2D IR) spectrum of its amide I vibrational transition. Specifically, for the histidine dipeptide studied, the amide unit of the histidine gives rise to three spectrally resolvable amide I features at approximately 1630, 1644, and 1656 cm(-1), respectively, which, based on measurements at different pH values and frequency calculations, are assigned to a τ tautomer (1630 cm(-1) component) and a π tautomer with a hydrated (1644 cm(-1) component) or dehydrated (1656 cm(-1) component) amide. Because of the intrinsic ultrafast time resolution of 2D IR spectroscopy, we believe that the current approach, when combined with the isotope editing techniques, will be useful in revealing the structural dynamics of key histidine residues in proteins that are important for function.

  3. From 2D graphene to 1D graphene nanoribbons: dimensional crossover signals in the structural thermal fluctuations

    NASA Astrophysics Data System (ADS)

    Dobry, Ariel; Costamagna, Sebastián

    2011-03-01

    I this work, by analyzing the thermal excited rippling in the graphene honeycomb lattice, we find clear signals of an existing dimensional crossover from 2D to 1D while reducing one of the dimensions of the graphene layer. Trough a joint study, using montecarlo atomistic simulations and analytical calculation based, we find that the normal-normal correlation function G (q) does not change the power law behavior valid on the long wavelength limit, however the system size dependency of the quadratic out of plane displacement h2 shows a breakdown of its corresponding scaling law. In this case we show that a new scaling law appear which correspond to a truly 1D system. On the basis of these results, and having explored a wide number of realistic systems size, we conclude that narrow nanoribbons presents strongest corrugations than the square graphene sheets. This result could have important consequences on the electron transport properties of freestanding graphene systems.

  4. The Structure and Stability of Selected, 2-D Self-Gravitating Systems

    NASA Astrophysics Data System (ADS)

    Andalib, Saied W.

    1998-12-01

    Models of radially and vertically extended self-gravitating disks orbiting around a central point mass are relevant to the dynamics of astrophysical systems and are thought to be common in many galaxies. The gravity driven instabilities in these accretion disks are now believed to be a possible mechanism for star formation via disk fragmentation (Shu, Adams, & Lizano 1987, Adams, Rudin & Shu 1989; Christodoulou 1995). We quantify these regions of instability using a simple toroidal model of an accretion disk. We choose the two-dimensional axisymmetric, incompressible slender disks to examine and map out these principal modes of gravity driven instabilities. Through stability analyses and numerical simulations we have found that only the gravity driven 'intermediate' modes (see Goodman and Narayan 1988) are important in all self-gravitating accretion disks with small or moderate axis ratios. The P-mode instability found by Papalaizou and Pringle (1983) is unlikely to play a role in the dynamics of realistic disk systems. Next, we extend the existing numerical methods for constructing equilibrium structures to include nonaxisymmetric systems. We have developed a new computational technique to obtain two-dimensional, nonaxisymmetric, compressible systems with nontrivial internal motions. We have constructed two types of two-dimensional configurations: infinite cylinders and infinitesimally thin disks. The infinite cylinders have been primarily restricted to elliptic-like boundaries but the disks have exhibited much more flexibility in their geometries. At smaller axis ratios, they become dumbbells or loosely coupled binaries. The topology and dynamics of the flow is governed by the presence of vortices and stagnation points. In our simulation it is shown that there are equilibrium configurations that can only exist in the presence of internal differential motions and not in uniformly rotating models. This indicates that in general, the equilibrium structures of these

  5. Characterization of Unsteady Flow Structures Near Landing-Edge Slat. Part 2; 2D Computations

    NASA Technical Reports Server (NTRS)

    Khorrami, Mehdi; Choudhari, Meelan M.; Jenkins, Luther N.

    2004-01-01

    In our previous computational studies of a generic high-lift configuration, quasi-laminar (as opposed to fully turbulent) treatment of the slat cove region proved to be an effective approach for capturing the unsteady dynamics of the cove flow field. Combined with acoustic propagation via Ffowes Williams and Hawkings formulation, the quasi-laminar simulations captured some important features of the slat cove noise measured with microphone array techniques. However. a direct assessment of the computed cove flow field was not feasible due to the unavailability of off-surface flow measurements. To remedy this shortcoming, we have undertaken a combined experiment and computational study aimed at characterizing the flow structures and fluid mechanical processes within the slat cove region. Part I of this paper outlines the experimental aspects of this investigation focused on the 30P30N high-lift configuration; the present paper describes the accompanying computational results including a comparison between computation and experiment at various angles of attack. Even through predictions of the time-averaged flow field agree well with the measured data, the study indicates the need for further refinement of the zonal turbulence approach in order to capture the full dynamics of the cove's fluctuating flow field.

  6. Engineering the extracellular environment: Strategies for building 2D and 3D cellular structures.

    PubMed

    Guillame-Gentil, Orane; Semenov, Oleg; Roca, Ana Sala; Groth, Thomas; Zahn, Raphael; Vörös, Janos; Zenobi-Wong, Marcy

    2010-12-21

    Cell fate is regulated by extracellular environmental signals. Receptor specific interaction of the cell with proteins, glycans, soluble factors as well as neighboring cells can steer cells towards proliferation, differentiation, apoptosis or migration. In this review, approaches to build cellular structures by engineering aspects of the extracellular environment are described. These methods include non-specific modifications to control the wettability and stiffness of surfaces using self-assembled monolayers (SAMs) and polyelectrolyte multilayers (PEMs) as well as methods where the temporal activation and spatial distribution of adhesion ligands is controlled. Building on these techniques, construction of two-dimensional cell sheets using temperature sensitive polymers or electrochemical dissolution is described together with current applications of these grafts in the clinical arena. Finally, methods to pattern cells in three-dimensions as well as to functionalize the 3D environment with biologic motifs take us one step closer to being able to engineer multicellular tissues and organs. Copyright © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Four divalent transition metal carboxyarylphosphonate compounds: Hydrothermal synthesis, structural chemistry and generalized 2D FTIR correlation spectroscopy studies

    SciTech Connect

    Lei Ran; Chai Xiaochuan; Mei Hongxin; Zhang Hanhui; Chen Yiping; Sun Yanqiong

    2010-07-15

    Four divalent transition metal carboxyarylphosphonates, [Ni(4,4'-bipy)H{sub 2}L{sup 1}(HL{sup 1}){sub 2}(H{sub 2}O){sub 2}].2H{sub 2}O 1, [Ni{sub 2}(4,4'-bipy)(L{sup 2})(OH)(H{sub 2}O){sub 2}].3H{sub 2}O 2, Mn(phen){sub 2}(H{sub 2}L{sup 1}){sub 2}3 and Mn(phen)(HL{sup 2}) 4 (H{sub 3}L{sup 1}=p-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, H{sub 3}L{sup 2}=m-H{sub 2}O{sub 3}PCH{sub 2}-C{sub 6}H{sub 4}-COOH, 4,4'-bipy=4,4'-bipyridine, phen=1,10-phenanthroline) were synthesized under hydrothermal conditions. 1 features 1D linear chains built from Ni(II) ions bridging 4,4'-bipy. In 2, neighboring Ni{sub 4} cluster units are connected by pairs of H{sub 3}L{sup 2} ligands to form 1D double-crankshaft chains, which are interconnected by pairs of 4,4'-bipy into 2D sheets. 3 exhibits 2D supramolecular layers via the R{sub 2}{sup 2}(8) ringed hydrogen bonding units. 4 has 1D ladderlike chains, in which the 4-membered rings are cross-linked by the organic moieties of the H{sub 3}L{sup 2} ligands. Additionally, 2D FTIR correlation analysis is applied with thermal and magnetic perturbation to clarify the structural changes of functional groups from H{sub 3}L{sup 1} and H{sub 3}L{sup 2} ligands in the compounds more efficiently. - Graphical abstract: A series of divalent transition metal carboxyarylphosphonate compounds were synthesized under hydrothermal conditions. The figure displays 2D sheet structure with large windows in compound 2.

  8. Acentric 2-D Ensembles of D-br-A Electron-Transfer Chromophores via Vectorial Orientation within Amphiphilic n-Helix Bundle Peptides for Photovoltaic Device Applications

    PubMed Central

    Koo, Jaseung; Park, Jaehong; Tronin, Andrey; Zhang, Ruili; Krishnan, Venkata; Strzalka, Joseph; Kuzmenko, Ivan; Fry, H. Christopher; Therien, Michael J.; Blasie, J. Kent

    2012-01-01

    We show that simply designed amphiphilic 4-helix bundle peptides can be utilized to vectorially-orient a linearly-extended Donor-bridge-Acceptor (D-br-A) electron transfer (ET) chromophore within its core. The bundle’s interior is shown to provide a unique solvation environment for the D-br-A assembly not accessible in conventional solvents, and thereby control the magnitudes of both light-induced ET and thermal charge recombination rate constants. The amphiphilicity of the bundle’s exterior was employed to vectorially-orient the peptide-chromophore complex at a liquid-gas interface, and its ends tailored for subsequent covalent attachment to an inorganic surface, via a “directed assembly” approach. Structural data, combined with evaluation of the excited state dynamics exhibited by these peptide-chromophore complexes, demonstrates that densely-packed, acentrically ordered 2-D monolayer ensembles of such complexes at high in-plane chromophore densities approaching 1/200Å2 offer unique potential as active layers in binary heterojucntion photovoltaic devices. PMID:22242787

  9. An unambiguous identification of 2D electron gas features in the photoluminescence spectrum of AlGaN/GaN heterostructures

    NASA Astrophysics Data System (ADS)

    Jana, Dipankar; Sharma, T. K.

    2016-07-01

    A fast and non-destructive method for probing the true signatures of 2D electron gas (2DEG) states in AlGaN/GaN heterostructures is presented. Two broad features superimposed with interference oscillations are observed in the low temperature photoluminescence (PL) spectrum. The two features are identified as the ground and excited 2DEG states which are confirmed by comparing the PL spectra of as-grown and top barrier layer etched samples. Broad PL features disappear at a certain temperature along with the associated interference oscillations. Furthermore, the two broad PL features depicts specific temperature and excitation intensity dependencies which make them easily distinguishable from the bandedge excitonic or defect related PL features. The presence of strong interference oscillations associated with the 2DEG PL features is explained by considering the localized generation of PL signal at the AlGaN/GaN heterointerface. Finally, a large value of the polarization induced electric field of ~1.01 MV cm-1 is reported from PL measurements for AlGaN/GaN HEMT structures. It became possible only when the true identification of 2DEG features was made possible by the proposed method.

  10. Electrophysiological and Structural Remodeling in Heart Failure Modulate Arrhythmogenesis. 2D Simulation Study

    PubMed Central

    Gomez, Juan F.; Cardona, Karen; Martinez, Laura; Saiz, Javier; Trenor, Beatriz

    2014-01-01

    Background Heart failure is operationally defined as the inability of the heart to maintain blood flow to meet the needs of the body and it is the final common pathway of various cardiac pathologies. Electrophysiological remodeling, intercellular uncoupling and a pro-fibrotic response have been identified as major arrhythmogenic factors in heart failure. Objective In this study we investigate vulnerability to reentry under heart failure conditions by incorporating established electrophysiological and anatomical remodeling using computer simulations. Methods The electrical activity of human transmural ventricular tissue (5 cm×5 cm) was simulated using the human ventricular action potential model Grandi et al. under control and heart failure conditions. The MacCannell et al. model was used to model fibroblast electrical activity, and their electrotonic interactions with myocytes. Selected degrees of diffuse fibrosis and variations in intercellular coupling were considered and the vulnerable window (VW) for reentry was evaluated following cross-field stimulation. Results No reentry was observed in normal conditions or in the presence of HF ionic remodeling. However, defined amount of fibrosis and/or cellular uncoupling were sufficient to elicit reentrant activity. Under conditions where reentry was generated, HF electrophysiological remodeling did not alter the width of the VW. However, intermediate fibrosis and cellular uncoupling significantly widened the VW. In addition, biphasic behavior was observed, as very high fibrotic content or very low tissue conductivity hampered the development of reentry. Detailed phase analysis of reentry dynamics revealed an increase of phase singularities with progressive fibrotic components. Conclusion Structural remodeling is a key factor in the genesis of vulnerability to reentry. A range of intermediate levels of fibrosis and intercellular uncoupling can combine to favor reentrant activity. PMID:25054335

  11. Free-standing guided-mode resonance band-pass filters: from 1D to 2D structures.

    PubMed

    Sakat, Emilie; Vincent, Grégory; Ghenuche, Petru; Bardou, Nathalie; Dupuis, Christophe; Collin, Stéphane; Pardo, Fabrice; Haïdar, Riad; Pelouard, Jean-Luc

    2012-06-04

    We study experimentally and theoretically band-pass filters based on guided-mode resonances in free-standing metal-dielectric structures with subwavelength gratings. A variety of filters are obtained: polarizing filters with 1D gratings, and unpolarized or selective filters with 2D gratings, which are shown to behave as two crossed-1D structures. In either case, a high transmission (up to ≈ 79 %) is demonstrated, which represents an eight-fold enhancement compared to the geometrical transmission of the grating. We also show that the angular sensitivity strongly depends on the rotation axis of the sample. This behavior is explained with a detailed description of the guided-mode transmission mechanism.

  12. Unusual Domain Structure and Filamentary Superfluidity for 2D Hard-Core Bosons in Insulating Charge-Ordered Phase

    NASA Astrophysics Data System (ADS)

    Panov, Yu. D.; Moskvin, A. S.; Rybakov, F. N.; Borisov, A. B.

    2016-12-01

    We made use of a special algorithm for compute unified device architecture for NVIDIA graphics cards, a nonlinear conjugate-gradient method to minimize energy functional, and Monte-Carlo technique to directly observe the forming of the ground state configuration for the 2D hard-core bosons by lowering the temperature and its evolution with deviation away from half-filling. The novel technique allowed us to examine earlier implications and uncover novel features of the phase transitions, in particular, look upon the nucleation of the odd domain structure, emergence of filamentary superfluidity nucleated at the antiphase domain walls of the charge-ordered phase, and nucleation and evolution of different topological structures.

  13. Arctic Ocean Sedimentary Cover Structure, Based on 2D MCS Seismic Data.

    NASA Astrophysics Data System (ADS)

    Kireev, A.; Kaminsky, V.; Poselov, V.; Poselova, L.; Kaminsky, D.

    2016-12-01

    of the Arctic Ocean and adjacent Eurasian shelf, on which the structural prolongation of the shallow shelf into deep-water is obviously seen.

  14. Bifurcations of edge states—topologically protected and non-protected—in continuous 2D honeycomb structures

    NASA Astrophysics Data System (ADS)

    Fefferman, C. L.; Lee-Thorp, J. P.; Weinstein, M. I.

    2016-03-01

    Edge states are time-harmonic solutions to energy-conserving wave equations, which are propagating parallel to a line-defect or ‘edge’ and are localized transverse to it. This paper summarizes and extends the authors’ work on the bifurcation of topologically protected edge states in continuous two-dimensional (2D) honeycomb structures. We consider a family of Schrödinger Hamiltonians consisting of a bulk honeycomb potential and a perturbing edge potential. The edge potential interpolates between two different periodic structures via a domain wall. We begin by reviewing our recent bifurcation theory of edge states for continuous 2D honeycomb structures (http://arxiv.org/abs/1506.06111). The topologically protected edge state bifurcation is seeded by the zero-energy eigenstate of a one-dimensional Dirac operator. We contrast these protected bifurcations with (more common) non-protected bifurcations from spectral band edges, which are induced by bound states of an effective Schrödinger operator. Numerical simulations for honeycomb structures of varying contrasts and ‘rational edges’ (zigzag, armchair and others), support the following scenario: (a) for low contrast, under a sign condition on a distinguished Fourier coefficient of the bulk honeycomb potential, there exist topologically protected edge states localized transverse to zigzag edges. Otherwise, and for general edges, we expect long lived edge quasi-modes which slowly leak energy into the bulk. (b) For an arbitrary rational edge, there is a threshold in the medium-contrast (depending on the choice of edge) above which there exist topologically protected edge states. In the special case of the armchair edge, there are two families of protected edge states; for each parallel quasimomentum (the quantum number associated with translation invariance) there are edge states which propagate in opposite directions along the armchair edge.

  15. Self-assembly and morphology change of four organic-polyoxometalate hybrids with different solid structures from 2D lamellar to 3D hexagonal forms

    NASA Astrophysics Data System (ADS)

    TAN, Chunxia

    2017-02-01

    A series of organic-polyoxometalate hybrids L-EuW11, L-EuW10, L-EuW22 and L-Mo132 were fabricated by the same organic cations with different polyoxometalate anions from K5[Eu(SiW11O39)(H2O)2], K13[Eu(SiW11O39)2]·15H2O, Na9[EuW10O36]·36H2O to "Keplerate" -type (NH4)72[Mo132O372(SO4)30(H2O)72]. The structures of hybrids were characterized by elemental analysis, thermogravimetric analysis (TGA), infrared spectra (IR) and small-angle X-ray scattering (SAXS). Self-assembly behaviors and aggregates morphology of these hybrids in mixed solution of chloroform-methanol are obtained by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). L-EuW11, L-EuW10 and L-EuW22 have different aggregation morphology but the similarly layered structures. Micron-sized vesicular structures of L-Mo132 rupture in solvent and eventually turn into approximate hexagon. SAXS analysis of L-EuW11, L-EuW10 and L-EuW22 shows that these hybrids aggregates change from two-dimensional (2D) lamellar to three-dimensional (3D) hexagonal structure in solid state.

  16. Reversible Formation of 2D Electron Gas at the LaFeO3 /SrTiO3 Interface via Control of Oxygen Vacancies.

    PubMed

    Xu, Pengfa; Han, Wei; Rice, Philip M; Jeong, Jaewoo; Samant, Mahesh G; Mohseni, Katayoon; Meyerheim, Holger L; Ostanin, Sergey; Maznichenko, Igor V; Mertig, Ingrid; Gross, Eberhard K U; Ernst, Arthur; Parkin, Stuart S P

    2017-03-01

    A conducting 2D electron gas (2DEG) is formed at the interface between epitaxial LaFeO3 layers >3 unit cells thick and the surface of SrTiO3 single crystals. The 2DEG is exquisitely sensitive to cation intermixing and oxygen nonstoichiometry. It is shown that the latter thus allows the controllable formation of the 2DEG via ionic liquid gating, thereby forming a nonvolatile switch.

  17. Destabilization of a cylindrically confined electron cloud by impact ionization of background neutrals: 2D3v PIC simulation with Monte-Carlo-collisions

    NASA Astrophysics Data System (ADS)

    Sengupta, M.; Ganesh, R.

    2017-03-01

    In this paper, we have investigated, through simulation, the process of destabilization of a cylindrically confined electron cloud due to the presence of a single species of neutral atoms, Ar in the background of the trap at a pressure relevant to experiments. The destabilization occurs because of a gradual accumulation of Ar+ in the cloud by the electron-impact ionization of the background neutrals. The trapped ions gradually collectively form a sizeable ion cloud which engages in a rotational two-stream instability (the ion resonance instability) with the electron cloud. The instability excites a growing fundamental diocotron mode on both components of the mixed non-neutral cloud. With the help of a set of numerical diagnostics, we have investigated the nonlinear evolution of the excited fundamental mode under the combined influence of two ongoing processes viz, (i) the changing electron and ion populations caused by electron impact ionization of the background Ar, and also by the radial loss of both charged species to the grounded trap wall at later stages and (ii) the elastic scattering of electrons and ions that make non-ionizing collisions with the background neutrals. The 2D collisionless dynamics of the instability has been simulated using a 2D Particle-in-Cell code operating on a Cartesian grid laid out on the cylindrical trap's cross-section, and the 3D ionizing and non-ionizing collisions between charged particles and background neutrals have been simulated using the technique of Monte-Carlo-Collisions.

  18. Ab Initio Based 2D Continuum Mechanics - Sensitivity Prediction for Contact Resonance Atomic Force Microscopy Based Structure Fingerprints

    NASA Astrophysics Data System (ADS)

    Tu, Qing; Lange, Björn; Lopes, J. Marcelo J.; Zauscher, Stefan; Blum, Volker

    Contact resonance AFM is demonstrated as a powerful tool for mapping differences in the mechanical properties of 2D materials and heterostructures, permitting to resolve surface and subsurface structural differences of different domains. Measured contact resonance frequencies are related to the contact stiffness of the combined tip-sample system. Based on first principles predicted elastic properties and a continuum approach to model the mechanical impedance, we find contact stiffness ratios between different domains of few-layer graphene on 3C-SiC(111) in excellent agreement with experiment. We next demonstrate that the approach is able to quantitatively resolve differences between other 2D materials domains, e.g., for h-BN, MoS2 and MoO3 on graphene on SiC. We show that the combined effect of several materials parameters, especially the in-plane elastic properties and the layer thickness, determines the contact stiffness, therefore boosting the sensitivity even if the out-of-plane elastic properties are similar.

  19. Dihydrofolate reductase: Sequential resonance assignments using 2D and 3D NMR and secondary structure determination in solution

    SciTech Connect

    Carr, M.D.; Birdsall, B.; Jimenez-Barbero, J.; Polshakov, V.I.; McCormick, J.E.; Feeney, J.; Frenkiel, T.A.; Bauer, C.J. ); Roberts, G.C.K. )

    1991-06-25

    Three-dimensional (3D) heteronuclear NMR techniques have been used to make sequential {sup 1}H and {sup 15}H resonance assignments for most of the residues of Lactobacillus casei dihydrofolate reductase (DHFR), a monomeric protein of molecular mass 18,300 Da. A uniformly {sup 15}N-labeled sample of the protein was prepared and its complex with methotrexate (MTX) studied by 3D {sup 15}N/{sup 1}H nuclear Overhauserheteronuclear multiple quantum coherence (NOESY-HMQC), Harmann-Hahn-heteronuclear multiple quantum coherence (HOHAHA-HMQC), and HMQC-NOESY-HMQC experiments. These experiments overcame most of the spectral overlap problems caused by chemical shift degeneracies in 2D spectra and allowed the {sup 1}H-{sup 1}H through-space and through-bond connectivities to be identified unambiguously, leading to the resonance assignments. The novel HMQC-NOESY-HMQC experiment allows NOE cross peaks to be detected between NH protons even when their {sup 1}H chemical shifts are degenerate as long as the amide {sup 15}N chemical shifts are nondegenerate. The 3D experiments, in combination with conventional 2D NOESY, COSY, and HOHAHA experiments on unlabelled and selectively deuterated DHFR, provide backbone assignments for 146 of the 162 residues and side-chain assignments for 104 residues of the protein. Data from the NOE-based experiments and identification of the slowly exchanging amide protons provide detailed information about the secondary structure of the binary complex of the protein with methotrexate.

  20. Electronic structures of porous nanocarbons

    PubMed Central

    Baskin, Artem; Král, Petr

    2011-01-01

    We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified picture that permits us to analytically predict and systematically characterize metal-semiconductor transitions in nanocarbons with superlattices of nanopores of different sizes and types. These novel materials with highly tunable band structures have numerous potential applications in electronics, light detection, and molecular sensing. PMID:22355555

  1. Electronic structures of porous nanocarbons.

    PubMed

    Baskin, Artem; Král, Petr

    2011-01-01

    We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified picture that permits us to analytically predict and systematically characterize metal-semiconductor transitions in nanocarbons with superlattices of nanopores of different sizes and types. These novel materials with highly tunable band structures have numerous potential applications in electronics, light detection, and molecular sensing.

  2. Electronic structures of porous nanocarbons

    NASA Astrophysics Data System (ADS)

    Baskin, Artem; Král, Petr

    2011-07-01

    We use large scale ab-initio calculations to describe electronic structures of graphene, graphene nanoribbons, and carbon nanotubes periodically perforated with nanopores. We disclose common features of these systems and develop a unified picture that permits us to analytically predict and systematically characterize metal-semiconductor transitions in nanocarbons with superlattices of nanopores of different sizes and types. These novel materials with highly tunable band structures have numerous potential applications in electronics, light detection, and molecular sensing.

  3. ExonVisualiser – application for visualization exon units in 2D and 3D protein structures

    PubMed Central

    Piwowar, Monika; Krzysztof, Porembski; Piotr, Piwowar

    2012-01-01

    The web application oriented on identification and visualization of protein regions encoded by exons is presented. The Exon Visualiser can be used for visualisation on different levels of protein structure: at the primary (sequence) level and secondary structures level, as well as at the level of tertiary protein structure. The programme is suitable for processing data for all genes which have protein expressions deposited in the PDB database. The procedure steps implemented in the application: I) loading exons sequences and theirs coordinates from GenBank file as well as protein sequences: CDS from GenBank and aminoacid sequence from PDB II) consensus sequence creation (comparing amino acid sequences form PDB file with the CDS sequence from GenBank file) III) matching exon coordinates IV) visualisation in 2D and 3D protein structures. Presented web-tool among others provides the color-coded graphical display of protein sequences and chains in three dimensional protein structures which are correlated with the corresponding exons. Availability http://149.156.12.53/ExonVisualiser/ PMID:23275735

  4. Construction of 2D lateral pseudoheterostructures by strain engineering

    NASA Astrophysics Data System (ADS)

    Feng, Haifeng; Zhuang, Jincheng; Slattery, Ashley D.; Wang, Liang; Xu, Zhongfei; Xu, Xun; Mitchell, David; Zheng, Tian; Li, Songlin; Higgins, Michael; Ren, Long; Sun, Ziqi; Xue Dou, Shi; Du, Yi; Hao, Weichang

    2017-06-01

    Two-dimensional (2D) lateral heterostructures host unconventional physical properties due to their controllable band-offset tuning and interfacial sensitive characteristic. The lattice mismatch results in the difficulties to construct the perfect atomic interface in such 2D lateral heterostructures, which in turn limits their desirable properties and performances in applications. In this work, strain-modulated 2D lateral pseudoheterogeneous structures are designed and realized in the single-component 2D BiOBr nanosheets by taking advantage of their strain-sensitive crystal and electronic structures. The pseudoheterogeneous interface without atomic mismatch can be feasibly modulated by local strain distribution, which exhibits similar local electronic band structure of corresponding heterostructures. Significant enhancement in charge separation at the pseudoheterostructure was demonstrated under visible light irradiation, which is given rise to the controllable electronic band alignment across the interface. The construction of the lateral pseudoheterostructure offers a feasible and promising way to build unprecedented 2D systems with exciting properties.

  5. Structure of the Western Gulf of Mexico Salt Canopy Surface Imaged by Regional 2D Multichannel Seismic Data

    NASA Astrophysics Data System (ADS)

    Sager, W. W.; Robla, V.; Emmet, P. A.

    2016-12-01

    The morphology of the continental slope of the northwestern Gulf of Mexico (GoM) shifts going from the smoother offshore Texas (TX) margin to the rugose central Louisiana (LA) offshore. This change is considered a reflection of the structure of mobile Jurassic salt residing within the margin sediment column. To test this hypothesis, the structure of the top of salt across the TX and western LA continental slopes has been imaged and compared to the bathymetry using a regional grid of 2D industry multichannel seismic data. The 2D data, provided by TGS, were analyzed using IHS Kingdom software. Prior studies, regional well data, and satellite gravity data were examined to support and constrain interpretations. Seafloor (SF) and top-of-salt (TOS) time picks from seismic profiles were gridded to make regional time-structure maps of these surfaces. Comparison of SF and TOS contours demonstrates the expected correlation. A closer inspection reveals that the preponderance of SF is coincident with the underlying highs and lows of the TOS and that the study area is characterized by a transition in salt morphology that corresponds to bathymetric expression. The western slope is dominated by large, shallow, circular, isolated salt bodies and the overlying seafloor is smooth with exception of large, circular high relief above nearly all of the interpreted salt structures. The TOS texture gradually changes going eastward where individual salt bodies increase in number and coalesce into large, shallow canopies of increasing rugosity. Again, the outline of the canopies, and many of the crests of the constitute salt bodies, are observable on the SF. Elongate salt structures dominate the north central and northeast study area, while a relatively continuous, highly rugged canopy spans the southern and outer margin of the slope. While some of the northern-most elongate bodies are less correlated with the SF, most are and the undulating relief of the canopy clearly translates to SF

  6. Controlled Self-Assembly of Cyclophane Amphiphiles: From 1D Nanofibers to Ultrathin 2D Topological Structures

    SciTech Connect

    Cai, Zhengxu; Li, Lianwei; Lo, Wai-Yip; Zhao, Donglin; Wu, Qinghe; Zhang, Na; Su, Yu-An; Chen, Wei; Yu, Luping

    2016-07-05

    A novel series of amphiphilic TC-PEG molecules were designed and synthesized based on the orthogonal cyclophane unit. These molecules were able to self-assemble from 1D nanofibers and nanobelts to 2D ultrathin nanosheets (3 nm thick) in a controlled way by tuning the length of PEG side chains. The special structure of the cyclophane moiety allowed control in construction of nanostructures through programmed noncovalent interactions (hydrophobic hydrophilic interaction and pi-pi interaction). The self-assembled nanostructures were characterized by combining real space imaging (TEM, SEM, and AFM) and reciprocal space scattering (GIWAXS) techniques. This unique supramolecular system may provide a new strategy for the design of materials with tunable nanomorphology and functionality.

  7. 2D Particle-In-Cell simulations of the electron-cyclotron instability and associated anomalous transport in Hall-Effect Thrusters

    NASA Astrophysics Data System (ADS)

    Croes, Vivien; Lafleur, Trevor; Bonaventura, Zdenek; Péchereau, François; Bourdon, Anne; Chabert, Pascal

    2016-09-01

    This work studies the electron-cyclotron instability in Hall-Effect Thrusters (HETs) using a 2D Particle-In-Cell (PIC) simulation. The simulation is configured with a Cartesian coordinate system where a magnetic field, B0, is aligned along the X-axis (radial direction, including absorbing walls), a constant electric field, E0, along the Z-axis (axial direction, perpendicular to simulation plane), and the E0xB0 direction along the Y-axis (O direction, with periodic boundaries). Although for low plasma densities classical electron-neutral collisions theory describes well electron transport, at sufficiently high densities (as measured in HETs) a strong instability can be observed that enhances the electron mobility, even in the absence of collisions. The instability generates high frequency ( MHz) and short wavelength ( mm) fluctuations in both the electric field and charged particle densities. We investigate the correlation between these fluctuations and their role with anomalous electron transport; complementing previous 1D simulations. Plasma is self-consistently heated by the instability, but since the latter does not reach saturation in an infinitely long 2D system, saturation is achieved through implementation of a finite axial length that models convection in E0 direction. With support of Safran Aircraft Engines.

  8. An analysis of electrochemical energy storage using electrodes fabricated from atomically thin 2D structures of MoS2, graphene and MoS2/graphene composites

    NASA Astrophysics Data System (ADS)

    Huffstutler, Jacob D.

    The behavior of 2D materials has become of great interest in the wake of development of electrochemical double-layer capacitors (EDLCs) and the discovery of monolayer graphene by Geim and Novoselov. This study aims to analyze the response variance of 2D electrode materials for EDLCs prepared through the liquid-phase exfoliation method when subjected to differing conditions. Once exfoliated, samples are tested with a series of structural characterization methods, including tunneling electron microscopy, atomic force microscopy, Raman spectroscopy, and x-ray photoelectron spectroscopy. A new ionic liquid for EDLC use, 1-butyl-1-methylpyrrolidinium tris(pentafluoroethyl)trifluorophosphate is compared in performance to 6M potassium hydroxide aqueous electrolyte. Devices composed of liquid-phase exfoliated graphene / MoS2 composites are analyzed by concentration for ideal performance. Device performance under cold extreme temperatures for the ionic fluid is presented as well. A brief overview of by-layer analysis of graphene electrode materials is presented as-is. All samples were tested with cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy, with good capacitive results. The evolution of electrochemical behavior through the altered parameters is tracked as well.

  9. Simple synthesis of PbSe nanocrystals and their self-assembly into 2D ‘flakes’ and 1D ‘ribbons’ structures

    SciTech Connect

    Díaz-Torres, E.; Ortega-López, M.; Matsumoto, Y.; Santoyo-Salazar, J.

    2016-08-15

    Highlights: • PbSe is obtained in a simple way by the co-precipitation method at low-temperature. • The structural, morphological and optical properties of PbSe were studied. • Adding NH{sub 4}OH to the precursor solutions influences on the morphology. • 2D- and 1D-PbSe structures assemble by oriented attachment. • PbSe can be a potential candidate for thermoelectric applications. - Abstract: This work presents a simple and low-temperature method to prepare a variety of Lead selenide (PbSe) nanostructures, using aqueous solutions of Pb(NO{sub 3}){sub 2} and NaHSe. Nanostructures with different morphology were obtained by varying the Pb:Se molar ratio, as well as the mixing sequence of NH{sub 4}OH with either Pb(NO{sub 3}){sub 2} or NaHSe. Nanoparticles with different shapes (spherical and octahedral), and self-assembled structures (flakes and ribbons) were observed by Transmission Electron Microscopy. X-ray results confirmed that the PbSe rock-salt crystalline structure was obtained for all of the prepared samples. The crystal size is in the order of 7.3 to 8.9 nm for single nanocrystals. The absorption spectra of the samples show exciton absorption bands at 1395 nm and 1660 nm. This material could be used to develop more advanced structures for thermoelectric generators.

  10. Electronic structure of sulfanilamides

    SciTech Connect

    Grechishkin, V.S.; Grechishkina, R.V.; Starovoitova, O.V.

    1986-05-01

    At present, about 30,000 derivatives of sulfanilamide are known. The establishment of a relationship between the structure of these compounds and their bacteriostatic activity is an urgent problem. In the present work, this problem is solved by means of NQR and NMR spectroscopy. Since the content of the /sup 14/N nuclei in these molecules is not high, to run the NQR, they used the double resonance method. Some samples of the sulfanilamides were studied by direct pulsed NQR method. The high resolution NMR spectra were run in heavy water solution on a RS-60MA spectrometer. All the measurements were carried out at 120/sup 0/K in the solid phase. The results of the calculation of eQq/sub zz/ for the NH/sub 2/ groups in the sulfanilamide residue are listed. To interpret the results by the MO LCAO method in the Hueckel approximation on the EC-1022 computer by a special FORTRAN program, they calculated the charged rho on an atom in the amino group with parameters of hetero atoms and coupling constants.

  11. Anion-induced structural transformation of a sulfate-incorporated 2D Cd(II)-organic framework

    NASA Astrophysics Data System (ADS)

    Lee, Li-Wei; Luo, Tzuoo-Tsair; Wang, Chih-Min; Lee, Gene-Hsiang; Peng, Shie-Ming; Liu, Yen-Hsiang; Lee, Sheng-Long; Lu, Kuang-Lieh

    2016-07-01

    A Cd(II)-organic framework {[Cd2(tpim)4(SO4)(H2O)2]·(SO4)·21H2O}n (1) was synthesized by reacting CdSO4·8/3H2O and 2,4,5-tri(4-pyridyl)imidazole (tpim) under hydrothermal conditions. A structural analysis showed that compound 1 adopts a layered structure in which the [Cd(tpim)2]n chains are linked by sulfate anions. These 2D layers are further packed into a 3D supramolecular framework via π-π interactions. The structure contains two types of SO42- anions, i.e., bridging SO42- and free SO42- anions, the latter of which are included in the large channels of the framework. Compound 1 exhibits interesting anion exchange behavior. In the presence of SCN- anions, both the bridging and free SO42- anions in 1 were completely exchanged by SCN- ligands to form a 1D species [Cd(tpim)2(SCN)2] (1A), in which the SCN- moieties function as a monodentate ligand. On the other hand, when compound 1 was ion exchanged with N3- anions in aqueous solution, the bridging SO42- moieties remained intact, and only the free guest SO42- were replaced by N3- anions. The gas adsorption behavior of the activated compound 1 was also investigated.

  12. Atomic structures and electronic properties of phosphorene grain boundaries

    NASA Astrophysics Data System (ADS)

    Guo, Yu; Zhou, Si; Zhang, Junfeng; Bai, Yizhen; Zhao, Jijun

    2016-06-01

    Grain boundary (GB) is one main type of defects in two-dimensional (2D) crystals, and has significant impact on the physical properties of 2D materials. Phosphorene, a recently synthesized 2D semiconductor, possesses a puckered honeycomb lattice and outstanding electronic properties. It is very interesting to know the possible GBs present in this novel material, and how their properties differ from those in the other 2D materials. Based on first-principles calculations, we explore the atomic structure, thermodynamic stability, and electronic properties of phosphorene GBs. A total of 19 GBs are predicted and found to be energetically stable with formation energies much lower than those in graphene. These GBs do not severely affect the electronic properties of phosphorene: the band gap of perfect phosphorene is preserved, and the electron mobilities are only moderately reduced in these defective systems. Our theoretical results provide vital guidance for experimental tailoring the electronic properties of phosphorene as well as the device applications using phosphorene materials.

  13. Electron capture and excitation in collisions of O{sup +}({sup 4}S,{sup 2}D,{sup 2}P) with H{sub 2} molecules

    SciTech Connect

    Pichl, Lukas; Li Yan; Liebermann, Heinz-Peter; Buenker, Robert J.; Kimura, Mineo

    2004-06-01

    Using an electronic-state close-coupling method, we treated the electron capture and excitation processes of O{sup +} ions both in ground state O{sup +}({sup 4}S) and metastable states O{sup +*}({sup 2}D) and O{sup +*}({sup 2}P) in collisions with the H{sub 2} molecule. In the ground-state projectile energy region considered (from 50 eV/amu to 10 keV/amu), the experimental data vary by orders of magnitude: our results smoothly connect to the data by Flesch and Ng [J. Chem. Phys. 94, 2372 (1991)] and Xu et al. [J. Phys. B 23, 1235 (1990)] at low energy and agree with Phaneuf et al. [Phys. Rev. A 17, 534 (1978)] in the high-energy region. The present values differ from Sieglaff et al. [Phys. Rev. A 59, 3538 (1999)] and Nutt et al. [J. Phys. B 12, L157 (1979)], especially in the energy region below 1 keV/amu. We provide the first calculated state-resolved cross sections of electron capture and target-projectile electronic excitations for the O{sup +}({sup 4}S,{sup 2}D,{sup 2}P)-H{sub 2} collision system.

  14. Evaluating subsurface structures and stratigraphic units using 2D electrical and magnetic data at the area north Greater Cairo, Egypt

    NASA Astrophysics Data System (ADS)

    Sultan, S. A.; Santos, F. A. M.

    2008-02-01

    2D dipole-dipole resistivity data and ground magnetic survey are used in combination with available data from boreholes and surface geology to detect subsurface structures and stratigraphic units and to study the ability of the site area (located at north Grater Cairo) for a building construction. Five 1-km length dipole-dipole profiles were measured using electrode spacing of 5 m. The data from these profiles, which were carried out parallel (125 m apart) and in E-W direction, have been inverted using a 2D regularization algorithm. The geoelectrical models obtained from inversion of the field data allowed the characterization of different geological units such as mud, alluvium, sandy clay and sand and sandstone deposits. Two hundred and twenty seven stations of ground magnetic data have been measured in a grid of 50 m × 50 m using two automatic proton precession magnetometers with an accuracy of 1 nT. The results showed that the depth of the basaltic basement varies between 24 and 122 m and it is affected by several fault elements trending NW-SE and crossing the southwestern part of the study area. These faults seem to control the distribution of the sedimentary cover. Fifteen boreholes drilled in the area with depths ranging from 50 to 202 m have been used to define the thickness of the different lithological units and the depth of the top of the basaltic sheet. The results of the boreholes logging indicate that the depth of basaltic sheet ranges from 23.7 m, in the western part of the study area, to 122 m in the central part.

  15. Broadband 2D electronic spectrometer using white light and pulse shaping: noise and signal evaluation at 1 and 100 kHz.

    PubMed

    Kearns, Nicholas M; Mehlenbacher, Randy D; Jones, Andrew C; Zanni, Martin T

    2017-04-03

    We have developed a broad bandwidth two-dimensional electronic spectrometer that operates shot-to-shot at repetition rates up to 100 kHz using an acousto-optic pulse shaper. It is called a two-dimensional white-light (2D-WL) spectrometer because the input is white-light supercontinuum. Methods for 100 kHz data collection are studied to understand how laser noise is incorporated into 2D spectra during measurement. At 100 kHz, shot-to-shot scanning of the delays and phases of the pulses in the pulse sequence produces a 2D spectrum 13-times faster and with the same signal-to-noise as using mechanical stages and a chopper. Comparing 100 to 1 kHz repetition rates, data acquisition time is decreased by a factor of 200, which is beyond the improvement expected by the repetition rates alone due to reduction in 1/f noise. These improvements arise because shot-to-shot readout and modulation of the pulse train at 100 kHz enables the electronic coherences to be measured faster than the decay in correlation between laser intensities. Using white light supercontinuum for the pump and probe pulses produces high signal-to-noise spectra on samples with optical densities <0.1 within a few minutes of averaging and an instrument response time of <46 fs thereby demonstrating that that simple broadband continuum sources, although weak, are sufficient to create high quality 2D spectra with >200 nm bandwidth.

  16. Terahertz-Induced Magnetoresistance Oscillations in High-Mobility 2D Electron Systems Under Bichromatic and Multichromatic Excitation

    NASA Astrophysics Data System (ADS)

    Iñarrea, Jesus

    2017-01-01

    In this work, we investigated the magnetotransport under terahertz radiation in high-mobility two-dimensional electron systems, focusing on irradiation by bichromatic and multichromatic terahertz sources. We observed strong modulation of the Shubnikov-de Haas oscillations at sufficient terahertz radiation power. We determined that the origin of the modulation was the interference between the average distance advanced by the scattered electrons between irradiated Landau states and the available initial density of states at a certain magnetic field. In the case of multifrequency illumination, we found that with the appropriate frequencies, the irradiated magnetoresistance could reach an almost zero-resistance state regime even at moderate radiation power.

  17. Orbital dependent Rashba splitting and electron-phonon coupling of 2D Bi phase on Cu(100) surface

    SciTech Connect

    Gargiani, Pierluigi; Lisi, Simone; Betti, Maria Grazia; Ibrahimi, Amina Taleb; Bertran, François; Le Fèvre, Patrick; Chiodo, Letizia

    2013-11-14

    A monolayer of bismuth deposited on the Cu(100) surface forms a highly ordered c(2×2) reconstructed phase. The low energy single particle excitations of the c(2×2) Bi/Cu(100) present Bi-induced states with a parabolic dispersion in the energy region close to the Fermi level, as observed by angle-resolved photoemission spectroscopy. The electronic state dispersion, the charge density localization, and the spin-orbit coupling have been investigated combining photoemission spectroscopy and density functional theory, unraveling a two-dimensional Bi phase with charge density well localized at the interface. The Bi-induced states present a Rashba splitting, when the charge density is strongly localized in the Bi plane. Furthermore, the temperature dependence of the spectral density close to the Fermi level has been evaluated. Dispersive electronic states offer a large number of decay channels for transitions coupled to phonons and the strength of the electron-phonon coupling for the Bi/Cu(100) system is shown to be stronger than for Bi surfaces and to depend on the electronic state symmetry and localization.

  18. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2

    NASA Astrophysics Data System (ADS)

    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.

  19. Impact pressure and void fraction due to plunging breaking wave impact on a 2D TLP structure

    NASA Astrophysics Data System (ADS)

    Chuang, Wei-Liang; Chang, Kuang-An; Mercier, Richard

    2017-06-01

    Violent impacts due to the plunging breaking wave impingement on a 2D tension-leg platform (TLP) structure were experimentally investigated in a laboratory. Simultaneous pressure, void fraction, fluid velocity, and structure motion measurements were performed on the multiphase, turbulent flow. The maximum mean impact pressure is 2.3 ρC 2 with C being the wave phase speed. The pressure maximum and its rise time are negatively correlated, and the rise time for impulsive-type impacts is less than 15 ms or 0.18H/C with H being the wave height. Different approaches show that impact coefficients vary from 0.6 to 9.7, including relating the impact pressure maxima to the wave phase speed, local velocity, and void fraction. By modeling the plunging breaking wave impact as a filling flow, a pressure-aeration relationship was investigated and compared with the approximate solution derived by Peregrine and Thais (J Fluid Mech 325:377-397, 1996). The measured data show that a high aeration level tends to reduce the impact pressure maximum so the cushioning effect is significant for breaking wave impacts on a moving vertical wall.

  20. 3D spin-flop transition in enhanced 2D layered structure single crystalline TlCo2Se2.

    PubMed

    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

    2016-10-05

    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.

  1. Improved structural quality of AlN grown on sapphire by 3D/2D alternation growth

    NASA Astrophysics Data System (ADS)

    Guo, Yanmin; Fang, Yulong; Yin, Jiayun; Zhang, Zhirong; Wang, Bo; Li, Jia; Lu, Weili; Feng, Zhihong

    2017-04-01

    Three dimensional (3D) and two dimensional (2D) alternation growth was used to grow AlN epitaxial layers on sapphire substrates. AlN samples grown using this technique have higher crystalline quality and lower dislocation density than samples grown using only 3D or 2D growth modes as witnessed by the high-resolution X-ray diffraction. Smooth atomic terraces with root mean square roughness of 0.107 nm were observed using atomic force microscopy (AFM) when the 3D and 2D AlN were 75 nm and 425 nm, respectively. This sample possesses single crystallographic orientation along the c-axis identified by Raman spectroscopy. Furthermore, the 3D/2D alternating growth mode modulates internal stress in AlN epitaxial layer by adjusting 2D AlN thickness, and the mechanism was studied in detail.

  2. Engineering the electronic and magnetic properties of d(0) 2D dichalcogenide materials through vacancy doping and lattice strains.

    PubMed

    Ao, L; Pham, A; Xiao, H Y; Zu, X T; Li, S

    2016-03-14

    We have systematically investigated the effects of different vacancy defects in 2D d(0) materials SnS2 and ZrS2 using first principles calculations. The theoretical results show that the single cation vacancy and the vacancy complex like V-SnS6 can induce large magnetic moments (3-4 μB) in these single layer materials. Other defects, such as V-SnS3, V-S, V-ZrS3 and V-ZrS6, can result in n-type conductivity. In addition, the ab initio studies also reveal that the magnetic and conductive properties from the cation vacancy and the defect complex V-SnS6 can be modified using the compressive/tensile strain of the in-plane lattices. Specifically, the V-Zr doped ZrS2 monolayer can be tuned from a ferromagnetic semiconductor to a metallic/half-metallic material with decreasing/increasing magnetic moments depending on the external compressive/tensile strains. On the other hand, the semiconducting and magnetic properties of V-Sn doped SnS2 is preserved under different lattice compression and tension. For the defect complex like V-SnS6, only the lattice compression can tune the magnetic moments in SnS2. As a result, by manipulating the fabrication parameters, the magnetic and conductive properties of SnS2 and ZrS2 can be tuned without the need for chemical doping.

  3. Microscopic theory for radiation-induced zero-resistance states in 2D electron systems: Franck-Condon blockade

    NASA Astrophysics Data System (ADS)

    Iñarrea, Jesús

    2017-04-01

    We present a microscopic model on radiation-induced zero resistance states according to a novel approach: Franck-Condon physics and blockade. Zero resistance states rise up from radiation-induced magnetoresistance oscillations when the light intensity is strong enough. The theory begins with the radiation-driven electron orbit model that proposes an interplay of the swinging nature of the radiation-driven Landau states and the presence of charged impurity scattering. When the intensity of radiation is high enough, the driven-Landau states (vibrational states) involved in the scattering process are spatially far from each other and the corresponding electron wave functions no longer overlap. As a result, a drastic suppression of the scattering probability takes place and current and magnetoresistance exponentially drop. Finally, zero resistance states rise up. This is an application to magnetotransport in two-dimensional electron systems of the Franck-Condon blockade, based on the Franck-Condon physics which in turn stems from molecular vibrational spectroscopy.

  4. Real-time observation of multiexcitonic states in ultrafast singlet fission using coherent 2D electronic spectroscopy.

    PubMed

    Bakulin, Artem A; Morgan, Sarah E; Kehoe, Tom B; Wilson, Mark W B; Chin, Alex W; Zigmantas, Donatas; Egorova, Dassia; Rao, Akshay

    2016-01-01

    Singlet fission is the spin-allowed conversion of a spin-singlet exciton into a pair of spin-triplet excitons residing on neighbouring molecules. To rationalize this phenomenon, a multiexcitonic spin-zero triplet-pair state has been hypothesized as an intermediate in singlet fission. However, the nature of the intermediate states and the underlying mechanism of ultrafast fission have not been elucidated experimentally. Here, we study a series of pentacene derivatives using ultrafast two-dimensional electronic spectroscopy and unravel the origin of the states involved in fission. Our data reveal the crucial role of vibrational degrees of freedom coupled to electronic excitations that facilitate the mixing of multiexcitonic states with singlet excitons. The resulting manifold of vibronic states drives sub-100 fs fission with unity efficiency. Our results provide a framework for understanding singlet fission and show how the formation of vibronic manifolds with a high density of states facilitates fast and efficient electronic processes in molecular systems.

  5. Theoretical electronic structure of structurally modified graphene

    NASA Astrophysics Data System (ADS)

    Dvorak, Marc David

    Graphene has emerged as a promising replacement for silicon in next-generation electronics and optoelectronic devices. If graphene is to be used in semiconductor devices, however, it must acquire an electronic band gap. Numerous approaches have been proposed to control the band gap of graphene, including the periodic patterning of defects. However, the mechanism for band gap opening and the associated physics in graphene patterned with defects remain unclear. Using both analytic theory and first-principles calculations, we show that periodic patterning of defects on graphene can open a large and tunable band gap, induce strong absorption peaks at optical wavelengths, and host a giant band gap quantum spin Hall phase. First, a geometric rule is analytically derived for the arrangements of defects that open a band gap in graphene, with one ninth of all possible patterns opening a band gap. Next, we perform ab-initio density functional calculations to compare the effects of structural vacancies, hexagonal BN dopants, and passivants on the electronic structure of graphene. Qualitatively, these three types of structural defects behave the same, with only slight differences in their resulting band structures. By adjusting the shape of structural defects, we show how to move the Dirac cones in reciprocal space in accordance with the tight-binding model for the anisotropic honeycomb lattice, while the fundamental mechanism for band gap opening remains the same. To quantitatively predict the band gap and optical properties of these materials, we employ many-body perturbation theory with Green's functions (GW/Bethe-Salpeter equation) to directly include electron-electron and electron-hole interactions. Structurally modified graphene shows a strong renormalization of the fundamental band gap over single particle descriptions, and a strong electron-hole interaction as indicated by strong exciton binding energies (> 0.5 eV). Finally, we show that structurally modified graphene

  6. Terrace Zone Structure in the Chicxulub Impact Crater Based on 2-D Seismic Reflection Profiles: Preliminary Results From EW#0501

    NASA Astrophysics Data System (ADS)

    McDonald, M. A.; Gulick, S. P.; Gorney, D. L.; Christeson, G. L.; Barton, P. J.; Morgan, J. V.; Warner, M. R.; Urrutia-Fucugauchi, J.; Melosh, H. J.; Vermeesch, P. M.; Surendra, A. T.; Goldin, T.; Mendoza, K.

    2005-05-01

    Terrace zones, central peaks, and flat floors characterize complex craters like the Chicxulub impact crater located near the northeast coast of the Yucatan Peninsula. The subsurface crater structure was studied using seismic reflection surveying in Jan/Feb 2005 by the R/V Maurice Ewing. We present 2-D seismic profiles including constant radius, regional, and grid profiles encompassing the 195 km width of the crater. These diversely oriented lines clearly show the terrace zones and aid in the search for crater ejecta as we investigate the formation of the crater including the incidence angle and direction of the extraterrestrial object that struck the Yucatan Peninsula 65 million years ago (K-T boundary). Terrace zones form in complex craters after the modification stage as a result of the gravitational collapse of overextended sediment back into the crater cavity. The terrace zone is clearly imaged on seismic profiles confirming the complex structure of the Chixculub crater. Recent work on reprocessed 1996 profiles found different sizes and spacing of the terraces and concluded that the variations in radial structure are a result of an oblique impact. A SW-NE profile from this study was the only line to show a concentration of deformation near the crater rim hinting that the northeast was the downrange direction of impact. We confirm this narrowing in terrace spacing using a profile with a similar orientation in the 2005 images. Through integration of the new dense grid of profiles and radial lines from the 1996 and 2005 surveys we map the 3-D variability of the terrace zones to further constrain impact direction and examine the formative processes of the Chixculub and other large impact craters.

  7. Measurement of Cortical Thickness and Volume of Subcortical Structures in Multiple Sclerosis: Agreement between 2D Spin-Echo and 3D MPRAGE T1-Weighted Images.

    PubMed

    Vidal-Jordana, A; Pareto, D; Sastre-Garriga, J; Auger, C; Ciampi, E; Montalban, X; Rovira, A

    2017-02-01

    Gray matter pathology is known to occur in multiple sclerosis and is related to disease outcomes. FreeSurfer and the FMRIB Integrated Registration and Segmentation Tool (FIRST) have been developed for measuring cortical and subcortical gray matter in 3D-gradient-echo T1-weighted images. Unfortunately, most historical MS cohorts do not have 3D-gradient-echo, but 2D-spin-echo images instead. We aimed to evaluate whether cortical thickness and the volume of subcortical structures measured with FreeSurfer and FIRST could be reliably measured in 2D-spin-echo images and to investigate the strength and direction of clinicoradiologic correlations. Thirty-eight patients with MS and 2D-spin-echo and 3D-gradient-echo T1-weighted images obtained at the same time were analyzed by using FreeSurfer and FIRST. The intraclass correlation coefficient between the estimates was obtained. Correlation coefficients were used to investigate clinicoradiologic associations. Subcortical volumes obtained with both FreeSurfer and FIRST showed good agreement between 2D-spin-echo and 3D-gradient-echo images, with 68.8%-76.2% of the structures having either a substantial or almost perfect agreement. Nevertheless, with FIRST with 2D-spin-echo, 18% of patients had mis-segmentation. Cortical thickness had the lowest intraclass correlation coefficient values, with only 1 structure (1.4%) having substantial agreement. Disease duration and the Expanded Disability Status Scale showed a moderate correlation with most of the subcortical structures measured with 3D-gradient-echo images, but some correlations lost significance with 2D-spin-echo images, especially with FIRST. Cortical thickness estimates with FreeSurfer on 2D-spin-echo images are inaccurate. Subcortical volume estimates obtained with FreeSurfer and FIRST on 2D-spin-echo images seem to be reliable, with acceptable clinicoradiologic correlations for FreeSurfer. © 2017 by American Journal of Neuroradiology.

  8. Structure of the HCMV UL16-MICB Complex Elucidates Select Binding of a Viral Immunoevasin to Diverse NKG2D Ligands

    PubMed Central

    Müller, Steffen; Zocher, Georg; Steinle, Alexander; Stehle, Thilo

    2010-01-01

    The activating immunoreceptor NKG2D promotes elimination of infected or malignant cells by cytotoxic lymphocytes through engagement of stress-induced MHC class I-related ligands. The human cytomegalovirus (HCMV)-encoded immunoevasin UL16 subverts NKG2D-mediated immune responses by retaining a select group of diverse NKG2D ligands inside the cell. We report here the crystal structure of UL16 in complex with the NKG2D ligand MICB at 1.8 Å resolution, revealing the molecular basis for the promiscuous, but highly selective, binding of UL16 to unrelated NKG2D ligands. The immunoglobulin-like UL16 protein utilizes a three-stranded β-sheet to engage the α-helical surface of the MHC class I-like MICB platform domain. Intriguingly, residues at the center of this β-sheet mimic a central binding motif employed by the structurally unrelated C-type lectin-like NKG2D to facilitate engagement of diverse NKG2D ligands. Using surface plasmon resonance, we find that UL16 binds MICB, ULBP1, and ULBP2 with similar affinities that lie in the nanomolar range (12–66 nM). The ability of UL16 to bind its ligands depends critically on the presence of a glutamine (MICB) or closely related glutamate (ULBP1 and ULBP2) at position 169. An arginine residue at this position however, as found for example in MICA or ULBP3, would cause steric clashes with UL16 residues. The inability of UL16 to bind MICA and ULBP3 can therefore be attributed to single substitutions at key NKG2D ligand locations. This indicates that selective pressure exerted by viral immunoevasins such as UL16 contributed to the diversification of NKG2D ligands. PMID:20090832

  9. Electronic structure of wet DNA.

    PubMed

    Gervasio, Francesco Luigi; Carloni, Paolo; Parrinello, Michele

    2002-09-02

    The electronic properties of a Z-DNA crystal synthesized in the laboratory are investigated by means of density-functional theory Car-Parrinello calculations. The electronic structure has a gap of only 1.28 eV. This separates a manifold of 12 occupied states which came from the pi guanine orbitals from the lowest empty states in which the electron is transferred to the Na+ from PO-4 groups and water molecules. We have evaluated the anisotropic optical conductivity. At low frequency the conductivity is dominated by the pi-->Na+ transitions. Our calculation demonstrates that the cost of introducing electron holes in wet DNA strands could be lower than previously anticipated.

  10. Electron Scattering and Nuclear Structure

    ERIC Educational Resources Information Center

    Trower, W. P.; Ficenec, J. R.

    1971-01-01

    Presents information about the nucleus gained by studies of electron scattering. Discusses what can be implied about the shape of the charge distribution, the nucleus positions, the vibrational modes of the nucleus, the momentum of the nucleus, and the granularity and core structures of the nucleus. (DS)

  11. Electronic Structure Principles and Aromaticity

    ERIC Educational Resources Information Center

    Chattaraj, P. K.; Sarkar, U.; Roy, D. R.

    2007-01-01

    The relationship between aromaticity and stability in molecules on the basis of quantities such as hardness and electrophilicity is explored. The findings reveal that aromatic molecules are less energetic, harder, less polarizable, and less electrophilic as compared to antiaromatic molecules, as expected from the electronic structure principles.

  12. Electronic Structure Principles and Aromaticity

    ERIC Educational Resources Information Center

    Chattaraj, P. K.; Sarkar, U.; Roy, D. R.

    2007-01-01

    The relationship between aromaticity and stability in molecules on the basis of quantities such as hardness and electrophilicity is explored. The findings reveal that aromatic molecules are less energetic, harder, less polarizable, and less electrophilic as compared to antiaromatic molecules, as expected from the electronic structure principles.

  13. Electron Scattering and Nuclear Structure

    ERIC Educational Resources Information Center

    Trower, W. P.; Ficenec, J. R.

    1971-01-01

    Presents information about the nucleus gained by studies of electron scattering. Discusses what can be implied about the shape of the charge distribution, the nucleus positions, the vibrational modes of the nucleus, the momentum of the nucleus, and the granularity and core structures of the nucleus. (DS)

  14. Coupling of multi-vibrational modes in bacteriochlorophyll a in solution observed with 2D electronic spectroscopy

    NASA Astrophysics Data System (ADS)

    Yue, Shuai; Wang, Zhuan; Leng, Xuan; Zhu, Rui-Dan; Chen, Hai-Long; Weng, Yu-Xiang

    2017-09-01

    Low vibrational modes in a range of 80-400 cm-1 for bacteriochlorophyll a are excited and observed as beating dynamics in two-dimensional electronic spectra. A coupled multi-vibrational mode displaced oscillator model is proposed to account for the vibronic coherence. We found that these low frequency vibrational modes are coupled. By comparing the fitted lifetime of the vibrational modes appearing in the beating dynamics for bacteriochlorophyll a and a protein-bound bacteriochlorophyll a dimer B820 probed by transient grating method, it is suggested that the protein scaffold provides a protection effect on the vibronic coherence where no excitonic coherence has be excited.

  15. Assessment of a 2D electronic portal imaging devices-based dosimetry algorithm for pretreatment and in-vivo midplane dose verification

    PubMed Central

    Jomehzadeh, Ali; Shokrani, Parvaneh; Mohammadi, Mohammad; Amouheidari, Alireza

    2016-01-01

    Background: The use of electronic portal imaging devices (EPIDs) is a method for the dosimetric verification of radiotherapy plans, both pretreatment and in vivo. The aim of this study is to test a 2D EPID-based dosimetry algorithm for dose verification of some plans inside a homogenous and anthropomorphic phantom and in vivo as well. Materials and Methods: Dose distributions were reconstructed from EPID images using a 2D EPID dosimetry algorithm inside a homogenous slab phantom for a simple 10 × 10 cm2 box technique, 3D conformal (prostate, head-and-neck, and lung), and intensity-modulated radiation therapy (IMRT) prostate plans inside an anthropomorphic (Alderson) phantom and in the patients (one fraction in vivo) for 3D conformal plans (prostate, head-and-neck and lung). Results: The planned and EPID dose difference at the isocenter, on an average, was 1.7% for pretreatment verification and less than 3% for all in vivo plans, except for head-and-neck, which was 3.6%. The mean γ values for a seven-field prostate IMRT plan delivered to the Alderson phantom varied from 0.28 to 0.65. For 3D conformal plans applied for the Alderson phantom, all γ1% values were within the tolerance level for all plans and in both anteroposterior and posteroanterior (AP-PA) beams. Conclusion: The 2D EPID-based dosimetry algorithm provides an accurate method to verify the dose of a simple 10 × 10 cm2 field, in two dimensions, inside a homogenous slab phantom and an IMRT prostate plan, as well as in 3D conformal plans (prostate, head-and-neck, and lung plans) applied using an anthropomorphic phantom and in vivo. However, further investigation to improve the 2D EPID dosimetry algorithm for a head-and-neck case, is necessary. PMID:28028511

  16. Inhomogeneous 2D linear intergrowth structures among novel Y-Cu-Mg ternary compounds with yttrium/copper equiatomic ratio

    NASA Astrophysics Data System (ADS)

    Solokha, Pavlo; De Negri, Serena; Pavlyuk, Volodymyr; Saccone, Adriana

    2009-04-01

    Single crystals of the Y 5Cu 5Mg 8, Y 5Cu 5Mg 13, Y 5Cu 5Mg 16 and YCuMg 4 compounds were synthesized by heating in a resistance furnace evacuated quartz vials containing Ta-crucibles with element pieces. SEM-EDXS analyses were performed to check phases composition. The structures were refined from X-ray single crystal diffraction data. Y 5Cu 5Mg 8, Y 5Cu 5Mg 13 and Y 5Cu 5Mg 16 represent new structure types: Y 5Cu 5Mg 8 - orthorhombic, Pmma, oP36, a = 2.63723(15), b = 0.40066(2), c = 0.74115(6) nm, Z = 2, wR2 = 0.0597, 939 F2 values, 60 variables; Y 5Cu 5Mg 13 - orthorhombic, Cmcm, oS92, a = 0.40973(2), b = 1.92794(8), c = 2.57907(11) nm, Z = 4, wR2 = 0.1134, 1208 F2 values, 75 variables; Y 5Cu 5Mg 16 - orthorhombic, Cmcm, oS104, a = 0.41360(8), b = 1.9239(4), c = 2.9086(6) nm, Z = 4, wR2 = 0.0760, 1383 F2 values, 84 variables. YCuMg 4 crystallizes in the TbCuMg 4 structure type ( Cmmm, oS48, a = 1.35754(4), b = 2.03153(6), c = 0.39060(1) nm, Z = 8, wR2 = 0.0401, 661 F2 values, 45 variables). The crystal chemistry of these two-layer structures is comparatively discussed. Majority of novel compounds were characterized as members of inhomogeneous 2D intergrowth structure series of R 5M 5X 5, X 4 (Mg 4) and empty Mg octahedra building blocks of general formula R 5 kM 5 kX 5 k + 4 l + m. The common pentagonal prism derivative structural fragments around the most electropositive yttrium atoms were outlined in all these intermetallics.

  17. Syntheses, structures, photoluminescence and photocatalysis of 2D layered lanthanide-carboxylates with 2, 2‧-dithiodibenzoic acid

    NASA Astrophysics Data System (ADS)

    Ding, Ling; Zhong, Jie-Cen; Qiu, Xing-Tai; Sun, Yan-Qiong; Chen, Yi-Ping

    2017-02-01

    Two series of lanthanide-carboxylates, [Ln(2,2‧-dtba)(2,2‧-Hdtba)(EtOH)]n (I:Ln=Eu(1a), Dy(1b)) and [Ln(2,2‧-dtba)(2,2‧-Hdtba)(4,4‧-bpy)0.5]n (II:Ln=Eu(2a), Dy(2b), Tb(2c) 2,2‧-H2dtba=2,2‧-dithiodibenzoic acid, 4,4‧-bpy=4,4‧-bipyridine) have been synthesized under hydrothermal conditions. Interestingly, the H2dtba organic ligand was generated by in situ S-S reaction of 2-mercaptobenzoic acid. Compounds I and II possess different 2D layered structures based on similar 1D [Ln(2,2‧-dtba)]+ chains. Photoluminescence studies reveal that compounds I and II exhibit strong lanthanide characteristic emission bands. Remarkably, Compounds 1b and 2a both exhibit good photocatalytic activity for degradation of Rhodamine-B (Rh-B) under the simulated sunlight irradiation.

  18. Isophthalate-Hydrazone 2D Zinc-Organic Framework: Crystal Structure, Selective Adsorption, and Tuning of Mechanochemical Synthetic Conditions.

    PubMed

    Roztocki, Kornel; Jędrzejowski, Damian; Hodorowicz, Maciej; Senkovska, Irena; Kaskel, Stefan; Matoga, Dariusz

    2016-10-03

    A new layered mixed-linker metal-organic framework [Zn2(iso)2(pcih)2]n (MOF) built from isophthalate ions (iso(2-)) and 4-pyridinecarbaldehyde isonicotinoyl hydrazone (pcih) was prepared using both solution and mechanochemical methods. By use of the latter, the 2D MOF is obtained either in a one-mortar three-component grinding or on the way of a two-step mechanosynthesis. Tuning of mechanochemical synthetic conditions allowed us to identify both necessary and favorable factors for the solid-state formation of the MOF. Single-crystal X-ray diffraction reveals the presence of interdigitated layers in the ABAB arrangement and interlayer 0D cavities filled with guest molecules. Upon thermal activation, the dynamic framework exhibits stepwise and selective adsorption of CO2 over N2 as well as high-pressure H2 adsorption reaching maximum excess of 1.15 wt% at 77 K. The mechanochemical synthetic protocol is expanded to a few other interdigitated structures.

  19. 2D/3D electron temperature fluctuations near explosive MHD instabilities accompanied by minor and major disruptions

    NASA Astrophysics Data System (ADS)

    Choi, M. J.; Park, H. K.; Yun, G. S.; Lee, W.; Luhmann, N. C., Jr.; Lee, K. D.; Ko, W.-H.; Park, Y.-S.; Park, B. H.; In, Y.

    2016-06-01

    Minor and major disruptions by explosive MHD instabilities were observed with the novel quasi 3D electron cyclotron emission imaging (ECEI) system in the KSTAR plasma. The fine electron temperature (T e) fluctuation images revealed two types of minor disruptions: a small minor disruption is a q∼ 2 localized fast transport event due to a single m/n  =  2/1 magnetic island growth, while a large minor disruption is partial collapse of the q≤slant 2 region with two successive fast heat transport events by the correlated m/n  =  2/1 and m/n  =  1/1 instabilities. The m/n  =  2/1 magnetic island growth during the minor disruption is normally limited below the saturation width. However, as the additional interchange-like perturbation grows near the inner separatrix of the 2/1 island, the 2/1 island can expand beyond the limit through coupling with the cold bubble formed by the interchange-like perturbation.

  20. Structural mapping and framework interconversions in 1D, 2D, and 3D divalent metal R,S-hydroxyphosphonoacetate hybrids.

    PubMed

    Colodrero, Rosario M P; Olivera-Pastor, Pascual; Cabeza, Aurelio; Papadaki, Maria; Demadis, Konstantinos D; Aranda, Miguel A G

    2010-01-18

    Reactions of divalent cations (Mg(2+), Co(2+), Ni(2+), and Zn(2+)) with R,S-hydroxyphosphonoacetic acid (HPAA) in aqueous solutions (pH values ranging 1.0-4.0) yielded a range of crystalline hydrated M-HPAA hybrids. One-dimensional (1D) chain compounds were formed at room temperature whereas reactions conducted under hydrothermal conditions resulted in two-dimensional (2D) layered frameworks or, in some cases, three-dimensional (3D) networks incorporating various alkaline cations. 1D phases with compositions [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)].2H(2)O (M = Mg, Co, and Zn) were isolated. These compounds were dehydrated in liquid water to yield the corresponding [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] compounds lacking the lattice water between the 1D chains. [M{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] (M = Mg, Ni, Co, Zn) compounds were formed by crystallization at room temperature (at higher pH values) or also by partial dehydration of 1D compounds with higher hydration degrees. Complete dehydration of these 1D solids at 240-270 degrees C led to 3D phases, [M{HO3PCH(OH)CO(2)}]. The 2D layered compound [Mg{HO(3)PCH(OH)CO(2)}(H(2)O)(2)] was obtained under hydrothermal conditions. For both synthesis methods, addition of alkali metal hydroxides to adjust the pH usually led to mixed phase materials, whereas direct reactions between the metal oxides and the hydroxyphosphonoacetic acid gave single phase materials. On the other hand, adjusting the pH with acetate salts and increasing the ratio M(2+)/HPAA and/or the A(+)/M(2+) ratio (A = Na, K) resulted in 3D networks, where the alkali cations were incorporated within the frameworks for charge compensation. The crystal structures of eight new M(II)-HPAA hybrids are reported herein and the thermal behavior related to dehydration/rehydration of some compounds are studied in detail.

  1. Structural environments of carboxyl groups in natural organic molecules from terrestrial systems. Part 2: 2D NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Deshmukh, Ashish P.; Pacheco, Carlos; Hay, Michael B.; Myneni, Satish C. B.

    2007-07-01

    Carboxyl groups are abundant in natural organic molecules (NOM) and play a major role in their reactivity. The structural environments of carboxyl groups in IHSS soil and river humic samples were investigated using 2D NMR (heteronuclear and homonuclear correlation) spectroscopy. Based on the 1H- 13C heteronuclear multiple-bond correlation (HMBC) spectroscopy results, the carboxyl environments in NOM were categorized as Type I (unsubstituted and alkyl-substituted aliphatic/alicyclic), Type II (functionalized carbon substituted), Type IIIa, b (heteroatom and olefin substituted), and Type IVa, b (5-membered heterocyclic aromatic and 6-membered aromatic). The most intense signal in the HMBC spectra comes from the Type I carboxyl groups, including the 2JCH and 3JCH couplings of unsubstituted aliphatic and alicyclic acids, though this spectral region also includes the 3JCH couplings of Type II and III structures. Type II and III carboxyls have small but detectable 2JCH correlations in all NOM samples except for the Suwannee River humic acid. Signals from carboxyls bonded to 5-membered aromatic heterocyclic fragments (Type IVa) are observed in the soil HA and Suwannee River FA, while correlations to 6-membered aromatics (Type IVb) are only observed in Suwannee River HA. In general, aromatic carboxylic acids may be present at concentrations lower than previously imagined in these samples. Vibrational spectroscopy results for these NOM samples, described in an accompanying paper [Hay M. B. and Myneni S. C. B. (2007) Structural environments of carboxyl groups in natural organic molecules from terrestrial systems. Part 1: Infrared spectroscopy. Geochim. Cosmochim. Acta (in press)], suggest that Type II and Type III carboxylic acids with α substituents (e.g., -OH, -OR, or -CO 2H) constitute the majority of carboxyl structures in all humic substances examined. Furoic and salicylic acid structures (Type IV) are also feasible fragments, albeit as minor constituents. The

  2. LOW-Tg Bismuth Phosphate Glasses for Glass-Imprinting and Fabrication of 2d Sub-Wavelength Structure

    NASA Astrophysics Data System (ADS)

    Kitamura, Naoyuki; Fukumi, Kohei; Nakamura, Junichi; Hidaka, Tatsuo; Ikeda, Takurou; Hashima, Hidekazu; Nishii, Junji

    We have developed zinc-bismuth-phosphate glasses, which have deformation temperatures under 450°C and refractive indices higher than 1.7, in order to produce an antireflection structure on the surface by a glass-imprinting process. Two-dimensionally arrayed conical cavities of sub-wavelength size were fabricated on a SiC mold by electron lithography and dry etching techniques. The sub-wavelength periodic structure was transferred onto the glass surface by a glass-imprinting process using the mold. The sub-wavelength structure suppressed the reflectance by approximately 90%. A weak maximum was observed in the reflection spectra around 400-500 nm, which decreased in intensity and shifted toward shorter wavelengths with decreasing pitch.

  3. Non-linear transport in microwave-irradiated 2D electron systems at the cyclotron resonance subharmonics

    NASA Astrophysics Data System (ADS)

    Chiang, Hung-Sheng; Hatke, Anthony; Zudov, Michael; Pfeiffer, Loren; West, Ken

    2009-03-01

    We study microwave photoresistivity oscillations in a high mobility two-dimensional electron system subject to strong dc electric fields. We find [1] that near the second subharmonic of the cyclotron resonance the frequency of the resistivity oscillations with dc electric field is twice the frequency of the oscillations at the cyclotron resonance, its harmonics, or in the absence of microwave radiation. This observation is discussed in terms of the microwave-induced sidebands in the density of states and the interplay between different scattering processes in the separated Landau level regime. [1] A. T. Hatke, H.-S. Chiang, M. A. Zudov, L. N. Pfeiffer, and K. W. West, Phys. Rev. Lett. accepted for publication.

  4. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  5. Numerical simulations - Some results for the 2- and 3-D Hubbard models and a 2-D electron phonon model

    NASA Technical Reports Server (NTRS)

    Scalapino, D. J.; Sugar, R. L.; White, S. R.; Bickers, N. E.; Scalettar, R. T.

    1989-01-01

    Numerical simulations on the half-filled three-dimensional Hubbard model clearly show the onset of Neel order. Simulations of the two-dimensional electron-phonon Holstein model show the competition between the formation of a Peierls-CDW state and a superconducting state. However, the behavior of the partly filled two-dimensional Hubbard model is more difficult to determine. At half-filling, the antiferromagnetic correlations grow as T is reduced. Doping away from half-filling suppresses these correlations, and it is found that there is a weak attractive pairing interaction in the d-wave channel. However, the strength of the pair field susceptibility is weak at the temperatures and lattice sizes that have been simulated, and the nature of the low-temperature state of the nearly half-filled Hubbard model remains open.

  6. Spectral and structural properties of 2D network complex [Ni(4,4'-bipyridine) 2(NCS) 2] n

    NASA Astrophysics Data System (ADS)

    Zhang, Y.; Jianmin, L.; Nishiura, M.; Imamoto, T.

    2000-02-01

    The complex [Ni(4,4'-bipyridine) 2(NCS) 2] n, in which nickel atoms are linked by two different Ni-4,4'-bpy-Ni assemblies to form two-dimensional distorted square net structure and the most effective packing of layers, has been isolated and structurally characterized. It represents the first example of Ni(II)-4,4'-bpy complex possesses 2D network. Crystal data for I: Fw=487.23, a=12.156(3), b=11.38(2), c=16.646(8) Å, β=100.43(3), V=2265(1) Å3, Z=4, space group=C2/c, T=298 K, λ((Mo-K α)=0.71070 Å, ρ calc=1.429 g cm -3, μ=10.62 cm-1, F(000)=1000, R=0.054, Rw=0.086, GOF=3.98. The UV-VIS absorption spectrum of the title complex is also reported and explained perfectly by the scaling radial theory which proposed by us. The strong and broad absorption bands occurred at 10433, 16830, 26556 cm -1, and they are assigned as d-d transitions of Ni(II) ion in octahedral field: 3A2g→ 3T2ga,b+ 3T2gc; 3A2g→ 3T1gz+ 3T1gy,x; 3A2g→ 3T1gz+ 3T1gy,x. The calculated results of the d-d transition energy levels agree well with the experimental values.

  7. Investigation of fabrication and resonant optical coupling in various 2D micro-resonator structures in a UV210 polymer

    NASA Astrophysics Data System (ADS)

    Pluchon, D.; Huby, N.; Lhermite, H.; Duval, D.; Bêche, B.

    2012-08-01

    In this paper, we report on the design and the overall realization of micro-resonators based on the development of adequate processes on a UV210 polymer. These micro-optical structures are developed by deep ultraviolet lithography allowing fabrication of nano-structured devices by means of low cost and reproducible processes. Two families of resonant micro-structures shaped on disk and stadium with various sizes are investigated. Structural and optical imaging characterizations have been carried out to ensure their ability to act as resonant integrated micro-structures. At first, scanning electron microscopy and Nomarsky microscopy studies confirm the UV-light process resolution down to 450 nm developed on a UV210 polymer. Then, optical characterizations have been performed as regards intensity and spectral properties of such micro-resonators. Field intensity measurements in visible and infrared ranges have been realized and validate light propagation by evanescent coupling between waveguides and micro-resonators. Finally, spectral analyses on TE modes demonstrate the presence of optical resonances with 1.45 nm and 2.19 nm free spectral range values for respectively disk and stadium micro-structures. The UV210 polymer appears appropriate for the realization of micro-structures requiring a few hundred nanometers gap-scale while maintaining adequate spectral properties for versatile applications in telecommunication and metrology.

  8. Upper Crustal Structure of the Cleft Segment of the Juan de Fuca Ridge using 2D Streamer travel time tomography

    NASA Astrophysics Data System (ADS)

    Ghosh, S.; Canales, J.; Carbotte, S. M.; Nedimovic, M. R.

    2009-12-01

    We use long off-set (6 km) multichannel seismic reflection data to obtain the P-wave seismic structure of the upper ~2 km of the crust along the southern part of the intermediate-spreading Juan de Fuca Ridge (Cleft segment). Along this segment, the top of the Axial Magma Chamber (AMC) deepens from south to north from about 2.0 km at the southern end of the segment to about 2.3 km at the northern end. Both segment ends are characterized by high-temperature hydrothermal venting. Our objective is to study the effects of high temperature hydrothermal circulation on the seismic structure of the shallow crust. We jointly inverted refracted and reflected travel times (from the top of the AMC) to obtain the 2 dimensional velocity structure of the earth along ~60 km of the ridge axis. Prior to tomographic inversion, processing of marine seismic data included trace editing, trapezoidal band pass filtering (3-5-15-30 Hz), formation of partial off-set stacks of 5 shots (i.e, supershots) to increase the signal to noise ratio and downward continuation of the wavefield to a datum just above the sea floor (i.e, phase shift in the frequency-wave number domain of both source and receiver gathers to extract travel time information from refracted arrivals at near offset. Traveltime picking of the arrivals was done using a semi automated first break routine. The picked travel times of the first refracted arrivals and the reflected arrivals from the AMC are then input into a tomography inversion algorithm to build a 2D velocity model. Our results do not show detectable velocity variations associated with the presence of active high-temperature hydrothermal discharge, probably because the length scale of hydrothermal alteration is smaller than the resolving power of traveltime tomography. However our results are a first step towards higher-resolution seismic imaging models using waveform inversion. We will also present results from off-axis data to understand the early evolution of the

  9. Electronic structure of tin monosulfide

    NASA Astrophysics Data System (ADS)

    Bletskan, D. I.; Bletskan, M. M.; Glukhov, K. E.

    2017-01-01

    The band structure of three-dimensional and two-dimensional tin monosulfide was calculated by the density functional method in LDA and LDA+U approximations. Group-theoretical analysis of the electronic band structure of SnS crystallized in the orthorhombic structure with space group D2h16- Pcmn is carried out, the symmetry of wave functions of the valence band and the bottom of the conduction band is found. The selection rules for direct and indirect optical transitions at different incident light polarization are determined. The group-theoretical analysis of energy states of the three-dimensional and two-dimensional SnS structures explains the formation of the band structure including the Davydov splitting. The calculated total density of states is compared with the known experimental XPS and UPS spectra, providing the assignment of their main features.

  10. The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen

    NASA Astrophysics Data System (ADS)

    Voiry, Damien; Fullon, Raymond; Yang, Jieun; de Carvalho Castro E Silva, Cecilia; Kappera, Rajesh; Bozkurt, Ibrahim; Kaplan, Daniel; Lagos, Maureen J.; Batson, Philip E.; Gupta, Gautam; Mohite, Aditya D.; Dong, Liang; Er, Dequan; Shenoy, Vivek B.; Asefa, Tewodros; Chhowalla, Manish

    2016-09-01

    The excellent catalytic activity of metallic MoS2 edges for the hydrogen evolution reaction (HER) has led to substantial efforts towards increasing the edge concentration. The 2H basal plane is less active for the HER because it is less conducting and therefore possesses less efficient charge transfer kinetics. Here we show that the activity of the 2H basal planes of monolayer MoS2 nanosheets can be made comparable to state-of-the-art catalytic properties of metallic edges and the 1T phase by improving the electrical coupling between the substrate and the catalyst so that electron injection from the electrode and transport to the catalyst active site is facilitated. Phase-engineered low-resistance contacts on monolayer 2H-phase MoS2 basal plane lead to higher efficiency of charge injection in the nanosheets so that its intrinsic activity towards the HER can be measured. We demonstrate that onset potentials and Tafel slopes of ~-0.1 V and ~50 mV per decade can be achieved from 2H-phase catalysts where only the basal plane is exposed. We show that efficient charge injection and the presence of naturally occurring sulfur vacancies are responsible for the observed increase in catalytic activity of the 2H basal plane. Our results provide new insights into the role of contact resistance and charge transport on the performance of two-dimensional MoS2 nanosheet catalysts for the HER.

  11. Structural and electrical analysis of epitaxial 2D/3D vertical heterojunctions of monolayer MoS2 on GaN

    NASA Astrophysics Data System (ADS)

    O'Regan, Terrance P.; Ruzmetov, Dmitry; Neupane, Mahesh R.; Burke, Robert A.; Herzing, Andrew A.; Zhang, Kehao; Birdwell, A. Glen; Taylor, DeCarlos E.; Byrd, Edward F. C.; Walck, Scott D.; Davydov, Albert V.; Robinson, Joshua A.; Ivanov, Tony G.

    2017-07-01

    Integration of two-dimensional (2D) and conventional (3D) semiconductors can lead to the formation of vertical heterojunctions with valuable electronic and optoelectronic properties. Regardless of the growth stacking mechanism implemented so far, the quality of the formed heterojunctions is susceptible to defects and contaminations mainly due to the complication involved in the transfer process. We utilize an approach that aims to eliminate the transfer process and achieve epitaxial vertical heterojunctions with low defect interfaces necessary for efficient vertical transport. Monolayers of MoS2 of approximately 2 μm domains are grown epitaxially by powder vaporization on GaN substrates forming a vertical 2D/3D heterojunction. Cross-sectional transmission electron microscopy (XTEM) is employed to analyze the in-plane lattice constants and van der Waals (vdW) gap between the 2D and 3D semiconductor crystals. The extracted in-plane lattice mismatch between monolayer MoS2 and GaN is only 1.2% which corresponds well to the expected mismatch between bulk MoS2 and GaN. The vdW gap between MoS2 and GaN, extracted from the XTEM measurements, is consistent with the vdW gap of 3.1 Å predicted by our first principles calculations. The effect of monolayer (1L) MoS2 on the electrical characteristics of 2D/3D semiconductor heterojunctions was studied using conductive atomic force microscopy (CAFM). The electrical current across the CAFM-tip/1L-MoS2/GaN vertical junctions is dominated by the tip/GaN interface of both n- and p-doped GaN. This electronic transparency of 1L-MoS2 tells us that a 2D crystal component has to be above a certain thickness before it can serve as an independent semiconductor element in 2D/3D heterojunctions.

  12. The role of electronic coupling between substrate and 2D MoS2 nanosheets in electrocatalytic production of hydrogen.

    PubMed

    Voiry, Damien; Fullon, Raymond; Yang, Jieun; de Carvalho Castro E Silva, Cecilia; Kappera, Rajesh; Bozkurt, Ibrahim; Kaplan, Daniel; Lagos, Maureen J; Batson, Philip E; Gupta, Gautam; Mohite, Aditya D; Dong, Liang; Er, Dequan; Shenoy, Vivek B; Asefa, Tewodros; Chhowalla, Manish

    2016-09-01

    The excellent catalytic activity of metallic MoS2 edges for the hydrogen evolution reaction (HER) has led to substantial efforts towards increasing the edge concentration. The 2H basal plane is less active for the HER because it is less conducting and therefore possesses less efficient charge transfer kinetics. Here we show that the activity of the 2H basal planes of monolayer MoS2 nanosheets can be made comparable to state-of-the-art catalytic properties of metallic edges and the 1T phase by improving the electrical coupling between the substrate and the catalyst so that electron injection from the electrode and transport to the catalyst active site is facilitated. Phase-engineered low-resistance contacts on monolayer 2H-phase MoS2 basal plane lead to higher efficiency of charge injection in the nanosheets so that its intrinsic activity towards the HER can be measured. We demonstrate that onset potentials and Tafel slopes of ∼-0.1 V and ∼50 mV per decade can be achieved from 2H-phase catalysts where only the basal plane is exposed. We show that efficient charge injection and the presence of naturally occurring sulfur vacancies are responsible for the observed increase in catalytic activity of the 2H basal plane. Our results provide new insights into the role of contact resistance and charge transport on the performance of two-dimensional MoS2 nanosheet catalysts for the HER.

  13. Electronic and magnetic properties of TM atoms adsorption on 2D silicon carbide by first-principles calculations

    NASA Astrophysics Data System (ADS)

    Luo, M.; Shen, Y. H.; Yin, T. L.

    2017-02-01

    The magnetic properties of different transition-metal (TM) atoms (TM=Co, Cu, Mn, Fe, and Ni) adsorption on SiC monolayer are investigated using density functional theory (DFT). Magnetism appears in the cases of Co, Cu, Mn, and Fe. Among all the magnetic cases, the Co-adsorbed system has the most stable structure. Therefore, we further study the interaction in the two-Co-adsorbed system. Our results show that the interaction between two Co atoms is always FM and the p-d hybridization mechanism results in such ferromagnetic states. However, the FM interaction is obviously depressed by the increasing Co-Co distance, which could be well explained by the Zener-RKKY theory. Moreover, different magnetic behavior is observed in the two-Mn-adsorbed system and a long-range AFM state is showing. Such multiple magnetic properties may suggest promising applications of TM-adsorbed SiC monolayer in the future.

  14. Shatsky Rise Oceanic Plateau Structure from 2D Multichannel Seismic Reflection Profiles and Implications for Oceanic Plateau Evolution

    NASA Astrophysics Data System (ADS)

    Zhang, J.; Sager, W. W.; Korenaga, J.

    2012-12-01

    As oceanic plateaus are enormous basaltic mountains and Shatsky Rise is one of the largest oceanic plateaus, a more complete knowledge of Shatsky Rise is important for understanding processes of basaltic volcanism and the formation and evolution of oceanic plateaus. Oceanic plateau structure and evolution remain poorly understood because these mountains are mostly submarine and in remote locations, making them difficult to sample and study. Newly acquired 2D multichannel seismic (MCS) reflection data allow us to image the upper crustal structure of Shatsky Rise with unprecedented detail. Modeling and correlation of synthetic seismograms using core and log velocity and density data from scientific drilling sites crossed by MCS lines establishes the seismic response to geology. Intrabasement reflectors are caused by alternations of lava flow packages with differing properties and by larger, inter-flow sediment layers. Using the MCS data, we interpret the structure and layering of southern half of Shatsky Rise for clues about origin and construction. Tamu Massif, the largest and oldest volcano, is an immense, symmetric undersea volcano with rounded shape and low flank slopes. It is characterized by massive sheet lava flows emanating from the volcanic rift zone and extending hundreds of kilometers down the shallow slope of the volcano's flank, probably resulting from effusive volcanic eruptions that form long lava flows that travel long distances away from the volcanic center. Ori Massif, another large volcano, is smaller in size and consists of several volcanic centers, likely because lesser magma output and stronger ridge tectonic modification. Massive volcanic edifices like Tamu and Ori massifs may be the building blocks of oceanic plateaus and the reason that they are single volcanoes may be the peculiar history of Shatsky Rise, which featured rapid migration of the Pacific Plate relative to the magma source. Despite drill core evidence of shallow water at upper

  15. Prediction of P53 Mutants (Multiple Sites) Transcriptional Activity Based on Structural (2D&3D) Properties

    PubMed Central

    Geetha Ramani, R.; Jacob, Shomona Gracia

    2013-01-01

    Prediction of secondary site mutations that reinstate mutated p53 to normalcy has been the focus of intense research in the recent past owing to the fact that p53 mutants have been implicated in more than half of all human cancers and restoration of p53 causes tumor regression. However laboratory investigations are more often laborious and resource intensive but computational techniques could well surmount these drawbacks. In view of this, we formulated a novel approach utilizing computational techniques to predict the transcriptional activity of multiple site (one-site to five-site) p53 mutants. The optimal MCC obtained by the proposed approach on prediction of one-site, two-site, three-site, four-site and five-site mutants were 0.775,0.341,0.784,0.916 and 0.655 respectively, the highest reported thus far in literature. We have also demonstrated that 2D and 3D features generate higher prediction accuracy of p53 activity and our findings revealed the optimal results for prediction of p53 status, reported till date. We believe detection of the secondary site mutations that suppress tumor growth may facilitate better understanding of the relationship between p53 structure and function and further knowledge on the molecular mechanisms and biological activity of p53, a targeted source for cancer therapy. We expect that our prediction methods and reported results may provide useful insights on p53 functional mechanisms and generate more avenues for utilizing computational techniques in biological data analysis. PMID:23468845

  16. Graphene and related two-dimensional materials: Structure-property relationships for electronics and optoelectronics

    NASA Astrophysics Data System (ADS)

    Li, Xinming; Tao, Li; Chen, Zefeng; Fang, Hui; Li, Xuesong; Wang, Xinran; Xu, Jian-Bin; Zhu, Hongwei

    2017-06-01

    The exfoliation and identification of the two-dimensional (2D) single atomic layer of carbon have opened the opportunity to explore graphene and related 2D materials due to their unique properties. 2D materials are regarded as one of the most exciting solutions for next generation electronics and optoelectronics in the technological evolution of semiconductor technology. In this review, we focus on the core concept of "structure-property relationships" to explain the state-of-the-art of 2D materials and summarize the unique electrical and light-matter interaction properties in 2D materials. Based on this, we discuss and analyze the structural properties of 2D materials, such as defects and dopants, the number of layers, composition, phase, strain, and other structural characteristics, which could significantly alter the properties of 2D materials and hence affect the performance of semiconductor devices. In particular, the building blocks principles and potential electronic and optoelectronic applications based on 2D materials are explained and illustrated. Indeed, 2D materials and related heterostructures offer the promise for challenging the existing technologies and providing the chance to have social impact. More efforts are expected to propel this exciting field forward.

  17. Electronic structure of Calcium hexaborides

    SciTech Connect

    Lee, Byounghak; Wang, Lin-Wang

    2005-06-15

    We present a theoretical study of crystal and electronic structures of CaB6 within a screened-exchange local density approximation (sX-LDA). Our ab initio total energy calculations show that CaB6 is a semiconductor with a gap of >1.2 eV, in agreement with recent experimental observations. We show a very sensitive band gap dependence on the crystal internal parameter, which might partially explain the scatter of previous theoretical results. Our calculation demonstrates that it is essential to study this system simultaneously for both crystal structures and electronic properties, and that the sX-LDA provides an ideal method for this problem.

  18. Electronic band structure of surface-doped black phosphorus

    NASA Astrophysics Data System (ADS)

    Kim, Jimin; Ryu, Sae Hee; Sohn, Yeongsup; Kim, Keun Su

    2015-03-01

    There are rapidly growing interests in the study of few-layer black phosphorus owing to its promising device characteristics that may impact our future electronics technology. The low-energy band structure of black phosphorus has been widely predicted to be controllable by external perturbations, such as strain and doping. In this work, we attempt to control the electronic band structure of black phosphorous by in-situ surface deposition of alkali-metal atoms. We found that surface doping induces steep band bending towards the bulk, leading to the emergence of new 2D electronic states that are confined within only few phosphorene layers of black phosphorus. Using angle-resolved photoemission spectroscopy, we directly measured the electronic band structure and its evolution as a function of dopant density. Supported by IBS.

  19. Cyano-bridged coordination polymer hydrogel-derived Sn-Fe binary oxide nanohybrids with structural diversity: from 3D, 2D, to 2D/1D and enhanced lithium-storage performance.

    PubMed

    Zhang, Weiyu; Zhu, Xiaoshu; Chen, Xuguang; Zhou, Yiming; Tang, Yawen; Ding, Liangxin; Wu, Ping

    2016-05-14

    Metal oxide nanohybrids with uniform dimensions and controlled architectures possess unique compositional and structural superiorities, and thus harbor promising potential for a series of applications in energy, catalysis, and sensing systems. Herein, we propose a facile, general, and scalable cyano-bridged coordination polymer hydrogel-derived thermal-oxidation route for the construction of main-group metal and transition-metal heterometallic oxide nanohybrids with controlled constituents and architectures. The formation of Sn-Fe binary oxide nanohybrids has been demonstrated as an example by using cyano-bridged Sn(iv)-Fe(ii) bimetallic coordination polymer hydrogels (i.e., SnCl4-K4Fe(CN)6 cyanogels, Sn-Fe cyanogels) as precursors. The physicochemical properties of Sn-Fe cyanogels with different Sn/Fe ratios have been systematically examined, and it is found that perfect Sn-Fe cyanogels without unbridged Sn(iv) or Fe(ii) can be formed with Sn/Fe ratios from 2 : 1 to 1 : 2. More importantly, the simple adjustment of Sn/Fe ratios in the Sn-Fe cyanogel precursors can realize flexible dimensional control of the Sn-Fe binary oxide nanohybrids, and 2D/1D SnO2-Fe2O3 hierarchitectures, 2D SnO2-Fe2O3 nanosheets, and 3D SnO2-Fe2O3 networks have been synthesized using the Sn-Fe 1 : 2, Sn-Fe 1 : 1, and Sn-Fe 2 : 1 cyanogels as precursors, respectively. To demonstrate their compositional/structural superiorities and potential applications, the lithium-storage utilization of the Sn-Fe binary oxide nanohybrids has been selected as an objective application, and the nanohybrids exhibit Sn/Fe ratio-dependent lithium-storage performance. As a representative example, the 2D/1D SnO2-Fe2O3 hierarchitectures manifest markedly enhanced Li-storage performance in terms of reversible capacities and cycling stability in comparison with their constituent units, i.e., bare SnO2 nanosheets and Fe2O3 nanorods. The proposed cyanogel-derived thermal-oxidation strategy could

  20. Modeling and Analysis of Granite Matrix Pore Structure and Hydraulic Characteristics in 2D and 3D Networks

    NASA Astrophysics Data System (ADS)

    Gvozdik, L.; Polak, M.; Zaruba, J.; Vanecek, M.

    2010-12-01

    A geological environment labeled as a Granite massif represents in terms of groundwater flow and transport a distinct hydrogeological environment from that of sedimentary basins, the characterisation of which is generally more complex and uncertain. Massifs are composed of hard crystalline rocks with the very low effective porosity. Due to their rheological properties such rocks are predisposed to brittle deformation resulting from changes in stress conditions. Our specific research project (Research on the influence of intergrangular porosity on deep geological disposal: geological formations, methodology and the development of measurement apparatus) is focussed on the problem of permeable zones within apparently undisturbed granitic rock matrix. The project including the both laboratory and in-situ tracer tests study migration along and through mineral grains in fresh and altered granite. The objective of the project is to assess whether intergranular porosity is a general characteristic of the granitic rock matrix or subject to significant evolution resulting from geochemical and/or hydrogeochemical processes, geotechnical and/or mechanical processes. Moreover, the research is focussed on evaluating methods quantifying intergranular porosity by both physical testing and mathematical modelling using verified standard hydrological software tools. Groundwater flow in microfractures and intergranular pores in granite rock matrix were simulated in three standard hydrogeological modeling programs with completely different conceptual approaches: MODFLOW (Equivalent Continuum concept), FEFLOW (Discrete Fracture and Equivalent Continuum concepts) and NAPSAC (Discrete Fracture Network concept). Specialized random fracture generators were used for creation of several 2D and 3D models in each of the chosen program. Percolation characteristics of these models were tested and analyzed. Several scenarios of laboratory tests of the rock samples permeability made in triaxial

  1. Structural Dynamics of Electronic Systems

    NASA Astrophysics Data System (ADS)

    Suhir, E.

    2013-03-01

    The published work on analytical ("mathematical") and computer-aided, primarily finite-element-analysis (FEA) based, predictive modeling of the dynamic response of electronic systems to shocks and vibrations is reviewed. While understanding the physics of and the ability to predict the response of an electronic structure to dynamic loading has been always of significant importance in military, avionic, aeronautic, automotive and maritime electronics, during the last decade this problem has become especially important also in commercial, and, particularly, in portable electronics in connection with accelerated testing of various surface mount technology (SMT) systems on the board level. The emphasis of the review is on the nonlinear shock-excited vibrations of flexible printed circuit boards (PCBs) experiencing shock loading applied to their support contours during drop tests. At the end of the review we provide, as a suitable and useful illustration, the exact solution to a highly nonlinear problem of the dynamic response of a "flexible-and-heavy" PCB to an impact load applied to its support contour during drop testing.

  2. Quasiparticle interference in unconventional 2D systems

    NASA Astrophysics Data System (ADS)

    Chen, Lan; Cheng, Peng; Wu, Kehui

    2017-03-01

    At present, research of 2D systems mainly focuses on two kinds of materials: graphene-like materials and transition-metal dichalcogenides (TMDs). Both of them host unconventional 2D electronic properties: pseudospin and the associated chirality of electrons in graphene-like materials, and spin-valley-coupled electronic structures in the TMDs. These exotic electronic properties have attracted tremendous interest for possible applications in nanodevices in the future. Investigation on the quasiparticle interference (QPI) in 2D systems is an effective way to uncover these properties. In this review, we will begin with a brief introduction to 2D systems, including their atomic structures and electronic bands. Then, we will discuss the formation of Friedel oscillation due to QPI in constant energy contours of electron bands, and show the basic concept of Fourier-transform scanning tunneling microscopy/spectroscopy (FT-STM/STS), which can resolve Friedel oscillation patterns in real space and consequently obtain the QPI patterns in reciprocal space. In the next two parts, we will summarize some pivotal results in the investigation of QPI in graphene and silicene, in which systems the low-energy quasiparticles are described by the massless Dirac equation. The FT-STM experiments show there are two different interference channels (intervalley and intravalley scattering) and backscattering suppression, which associate with the Dirac cones and the chirality of quasiparticles. The monolayer and bilayer graphene on different substrates (SiC and metal surfaces), and the monolayer and multilayer silicene on a Ag(1 1 1) surface will be addressed. The fifth part will introduce the FT-STM research on QPI in TMDs (monolayer and bilayer of WSe2), which allow us to infer the spin texture of both conduction and valence bands, and present spin-valley coupling by tracking allowed and forbidden scattering channels.

  3. The Integer and Fractional Quantum Hall Effect in the Lowest Landau Level of Valley Degenerate 2D Electrons on Hydrogen Terminated Si(111)

    NASA Astrophysics Data System (ADS)

    Kott, Tomasz M.; Hu, Binhui; Brown, S. H.; Kane, B. E.

    2013-03-01

    We report low temperature magnetotransport measurements on a high mobility (μ = 325 000 cm2/Vsec) 2D electron system on a H-terminated Si(111) surface. In Si(111), there are six degenerate, anisotropic valleys which can affect the magnetotransport in unexpected ways. While low magnetic field data indeed show a six-fold valley degenerate system, we observe the integral quantum Hall effect at all filling factors ν <= 6 , indicating a magnetic-field-induced breaking of the valley degeneracy. Additionally, we find that ν = 2 develops in an unusually narrow temperature range, which might indicate the existence of a novel broken-symmetry valley phase. Finally, we observe an extended, exclusively even numerator, fractional quantum Hall hierarchy surrounding ν = 3 / 2 with denominators up to 15. This hierarchy is consistent with two-fold valley-degenerate composite fermions. We determine activation energies and provide the first estimate the composite fermion mass in a multi-valley system.

  4. 2D hydrodynamic simulations of a variable length gas target for density down-ramp injection of electrons into a laser wakefield accelerator

    NASA Astrophysics Data System (ADS)

    Kononenko, O.; Lopes, N. C.; Cole, J. M.; Kamperidis, C.; Mangles, S. P. D.; Najmudin, Z.; Osterhoff, J.; Poder, K.; Rusby, D.; Symes, D. R.; Warwick, J.; Wood, J. C.; Palmer, C. A. J.

    2016-09-01

    In this work, two-dimensional (2D) hydrodynamic simulations of a variable length gas cell were performed using the open source fluid code OpenFOAM. The gas cell was designed to study controlled injection of electrons into a laser-driven wakefield at the Astra Gemini laser facility. The target consists of two compartments: an accelerator and an injector section connected via an aperture. A sharp transition between the peak and plateau density regions in the injector and accelerator compartments, respectively, was observed in simulations with various inlet pressures. The fluid simulations indicate that the length of the down-ramp connecting the sections depends on the aperture diameter, as does the density drop outside the entrance and the exit cones. Further studies showed, that increasing the inlet pressure leads to turbulence and strong fluctuations in density along the axial profile during target filling, and consequently, is expected to negatively impact the accelerator stability.

  5. Giant piezoresistance of p-type nano-thick silicon induced by interface electron trapping instead of 2D quantum confinement.

    PubMed

    Yang, Yongliang; Li, Xinxin

    2011-01-07

    The p-type silicon giant piezoresistive coefficient is measured in top-down fabricated nano-thickness single-crystalline-silicon strain-gauge resistors with a macro-cantilever bending experiment. For relatively thicker samples, the variation of piezoresistive coefficient in terms of silicon thickness obeys the reported 2D quantum confinement effect. For ultra-thin samples, however, the variation deviates from the quantum-effect prediction but increases the value by at least one order of magnitude (compared to the conventional piezoresistance of bulk silicon) and the value can change its sign (e.g. from positive to negative). A stress-enhanced Si/SiO(2) interface electron-trapping effect model is proposed to explain the 'abnormal' giant piezoresistance that should be originated from the carrier-concentration change effect instead of the conventional equivalent mobility change effect for bulk silicon piezoresistors. An interface state modification experiment gives preliminary proof of our analysis.

  6. Large Area Synthesis of 2D Materials

    NASA Astrophysics Data System (ADS)

    Vogel, Eric

    Transition metal dichalcogenides (TMDs) have generated significant interest for numerous applications including sensors, flexible electronics, heterostructures and optoelectronics due to their interesting, thickness-dependent properties. Despite recent progress, the synthesis of high-quality and highly uniform TMDs on a large scale is still a challenge. In this talk, synthesis routes for WSe2 and MoS2 that achieve monolayer thickness uniformity across large area substrates with electrical properties equivalent to geological crystals will be described. Controlled doping of 2D semiconductors is also critically required. However, methods established for conventional semiconductors, such as ion implantation, are not easily applicable to 2D materials because of their atomically thin structure. Redox-active molecular dopants will be demonstrated which provide large changes in carrier density and workfunction through the choice of dopant, treatment time, and the solution concentration. Finally, several applications of these large-area, uniform 2D materials will be described including heterostructures, biosensors and strain sensors.

  7. Electronic structure investigations of quasicrystals

    NASA Astrophysics Data System (ADS)

    Rotenberg, E.; Theis, W.; Horn, K.

    2004-08-01

    We present a review of the determination of density of states (DOS) of quasicrystals using valence band photoemission spectroscopy. The absence of fine or spiky structure in the angle-integrated DOS of quasicrystals suggests the possibility of delocalized electronic states. These were confirmed with angle-resolved photoemission studies, which clearly establish the presence of dispersing features attributed to momentum-dependent bandstructure. Such dispersing states are observed not only for deeper-lying sp states, but also for d-derived bands near the Fermi level. Data from three different high symmetry surfaces of decagonal Al-Ni-Co, an ideal model system, are presented. We find that only a few dominant reciprocal lattice vectors are sufficient to describe the quasiperiodic potential, and the implications for electronic properties are discussed.

  8. Quantification of transition dipole strengths using 1D and 2D spectroscopy for the identification of molecular structures via exciton delocalization: Application to α-helices

    PubMed Central

    Grechko, Maksim; Zanni, Martin T.

    2012-01-01

    Vibrational and electronic transition dipole strengths are often good probes of molecular structures, especially in excitonically coupled systems of chromophores. One cannot determine transition dipole strengths using linear spectroscopy unless the concentration is known, which in many cases it is not. In this paper, we report a simple method for measuring transition dipole moments from linear absorption and 2D IR spectra that does not require knowledge of concentrations. Our method is tested on several model compounds and applied to the amide I′ band of a polypeptide in its random coil and α-helical conformation as modulated by the solution temperature. It is often difficult to confidently assign polypeptide and protein secondary structures to random coil or α-helix by linear spectroscopy alone, because they absorb in the same frequency range. We find that the transition dipole strength of the random coil state is 0.12 ± 0.013 D2, which is similar to a single peptide unit, indicating that the vibrational mode of random coil is localized on a single peptide unit. In an α-helix, the lower bound of transition dipole strength is 0.26 ± 0.03 D2. When taking into account the angle of the amide I′ transition dipole vector with respect to the helix axis, our measurements indicate that the amide I′ vibrational mode is delocalized across a minimum of 3.5 residues in an α-helix. Thus, one can confidently assign secondary structure based on exciton delocalization through its effect on the transition dipole strength. Our method will be especially useful for kinetically evolving systems, systems with overlapping molecular conformations, and other situations in which concentrations are difficult to determine. PMID:23163364

  9. Electronic instrumentation for smart structures

    NASA Astrophysics Data System (ADS)

    Blanar, George J.

    1995-04-01

    The requirements of electronic instrumentation for smart structures are similar to those of data acquisition systems at our national particle physics laboratories. Modern high energy and heavy ion physics experiments may have tens of thousands of channels of data sources producing data that must be converted to digital form, compacted, stored and interpreted. In parallel, multiple sensors distributed in and around smart structures generate either binary or analog signals that are voltage, charge, or time like in their information content. In all cases, they must be transmitted, converted and preserved into a unified digital format for real-time processing. This paper will review the current status of practical large scale electronic measurement systems with special attention to architectures and physical organization. Brief surveys of the current state of the art will include preamplifiers and amplifiers, comparators and discriminators, voltage or charge analog-to-digital converters, time internal meters or time-to-digital converters, and finally, counting or scalar systems. The paper will conclude by integrating all of these ideas in a concept for an all-digital readout of a smart structure using the latest techniques used in physics research today.

  10. Effects of the electron-electron interaction in the spin resonance in 2D systems with Dresselhaus spin-orbit coupling

    SciTech Connect

    Krishtopenko, S. S.

    2015-02-15

    The effect of the electron-electron interaction on the spin-resonance frequency in two-dimensional electron systems with Dresselhaus spin-orbit coupling is investigated. The oscillatory dependence of many-body corrections on the magnetic field is demonstrated. It is shown that the consideration of many-body interaction leads to a decrease or an increase in the spin-resonance frequency, depending on the sign of the g factor. It is found that the term cubic in quasimomentum in Dresselhaus spin-orbit coupling partially decreases exchange corrections to the spin resonance energy in a two-dimensional system.

  11. Wannier-Stark electro-optical effect, quasi-guided and photonic modes in 2D macroporous silicon structures with SiO2 coatings

    NASA Astrophysics Data System (ADS)

    Karachevtseva, L.; Goltviansky, Yu.; Sapelnikova, O.; Lytvynenko, O.; Stronska, O.; Bo, Wang; Kartel, M.

    2016-12-01

    Opportunities to enhance the properties of structured surfaces were demonstrated on 2D macroporous silicon structures with SiO2 coatings. We investigated the IR light absorption oscillations in macroporous silicon structures with SiO2 coatings 0-800 nm thick. The Wannier-Stark electro-optical effect due to strong electric field on Si-SiO2boundary and an additional electric field of quasi-guided optical modes were taken into account. The photonic modes and band gaps were also considered as peculiarities in absorbance spectra of macroporous silicon structures with a thick SiO2 coating. The photonic modes do not coincide with the quasi-guided modes in the silicon matrix and do not appear in absorption spectra of 2D macroporous silicon structures with surface nanocrystals.

  12. The electronic structure of Lu

    NASA Astrophysics Data System (ADS)

    Tibbetts, T. A.; Harmon, B. N.

    1982-12-01

    The electronic structure of hcp Lu has been calculated using a linearized augmented plane wave (LAPW) method and the Hedin-Lundqvist local density approximation for exchange and correlation. Although complete self-consistency was hindered by the proximity of the 4f levels to the Fermi energy, the valence bands were converged and the calculation yielded a Fermi surface remarkably similar to that calculated by Keeton and Loucks. Comparison is made with recent de Haas-van Alphen and neutron magnetic form factor experiments.

  13. Controlled Confinement of Half-metallic 2D Electron Gas in BaTiO3/Ba2FeReO6/BaTiO3 Heterostructures: A First-principles Study

    NASA Astrophysics Data System (ADS)

    Saha-Dasgupta, Tanusri; Baidya, Santu; Waghmare, Umesh; Paramekanti, Arun

    Using density functional theory calculations, we establish that the half-metallicity of bulk Ba2FeReO6 survives down i to 1 nm thickness in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures grown along the (001) and (111) directions. The confinement of the two-dimensional (2D) electron gas in this quantum well structure arises from the suppressed hybridization between Re/Fe d states and unoccupied Ti d states, and it is further strengthened by polar fields for the (111) direction. This mechanism, distinct from the polar catastrophe, leads to an order of magnitude stronger confinement of the 2D electron gas than that at the LaAlO3/SrTiO3 interface. We further show low-energy bands of (111) heterostructure display nontrivial topological character. Our work opens up the possibility of realizing ultra-thin spintronic devices. Journal Ref: Phys. Rev. B 92, 161106(R) (2015) S.B. and T.S.D thank Department of Science and Technology, India for the support through Thematic Unit of Excellence. AP was supported by NSERC (Canada).

  14. Residue-Specific Structural Kinetics of Proteins through the Union of Isotope Labeling, Mid-IR Pulse Shaping, and Coherent 2D IR Spectroscopy

    PubMed Central

    Middleton, Chris T.; Woys, Ann Marie; Mukherjee, Sudipta S.; Zanni, Martin T.

    2010-01-01

    We describe a methodology for studying protein kinetics using a rapid-scan technology for collecting 2D IR spectra. In conjunction with isotope labeling, 2D IR spectroscopy is able to probe the secondary structure and environment of individual residues in polypeptides and proteins. It is particularly useful for membrane and aggregate proteins. Our rapid-scan technology relies on a mid-IR pulse shaper that computer generates the pulse shapes, much like in an NMR spectrometer. With this device, data collection is faster, easier, and more accurate. We describe our 2D IR spectrometer, as well as protocols for 13C=18O isotope labeling, and then illustrate the technique with an application to the aggregation of the human islet amyloid polypeptide form type 2 diabetes. PMID:20472067

  15. Discrimination of adulterated milk based on two-dimensional correlation spectroscopy (2D-COS) combined with kernel orthogonal projection to latent structure (K-OPLS).

    PubMed

    Yang, Renjie; Liu, Rong; Xu, Kexin; Yang, Yanrong

    2013-12-01

    A new method for discrimination analysis of adulterated milk and pure milk is proposed by combining two-dimensional correlation spectroscopy (2D-COS) with kernel orthogonal projection to latent structure (K-OPLS). Three adulteration types of milk with urea, melamine, and glucose were prepared, respectively. The synchronous 2D spectra of adulterated milk and pure milk samples were calculated. Based on the characteristics of 2D correlation spectra of adulterated milk and pure milk, a discriminant model of urea-tainted milk, melamine-tainted milk, glucose-tainted milk, and pure milk was built by K-OPLS. The classification accuracy rates of unknown samples were 85.7, 92.3, 100, and 87.5%, respectively. The results show that this method has great potential in the rapid discrimination analysis of adulterated milk and pure milk.

  16. 2D modeling of DC potential structures induced by RF sheaths with transverse currents in front of ICRF antenna

    SciTech Connect

    Faudot, E.; Heuraux, S.; Colas, L.

    2005-09-26

    Understanding DC potential generation in front of ICRF antennas is crucial for long pulse high RF power systems. DC potentials are produced by sheath rectification of these RF potentials. To reach this goal, near RF parallel electric fields have to be computed in 3D and integrated along open magnetic field lines to yield a 2D RF potential map in a transverse plane. DC potentials are produced by sheath rectification of these RF potentials. As RF potentials are spatially inhomogeneous, transverse polarization currents are created, modifying RF and DC maps. Such modifications are quantified on a 'test map' having initially a Gaussian shape and assuming that the map remains Gaussian near its summit,the time behavior of the peak can be estimated analytically in presence of polarization current as a function of its width r0 and amplitude {phi}0 (normalized to a characteristic length for transverse transport and to the local temperature). A 'peaking factor' is built from the DC peak potential normalized to {phi}0, and validated with a 2D fluid code and a 2D PIC code (XOOPIC). In an unexpected way transverse currents can increase this factor. Realistic situations of a Tore Supra antenna are also studied, with self-consistent near fields provided by ICANT code. Basic processes will be detailed and an evaluation of the 'peaking factor' for ITER will be presented for a given configuration.

  17. Generation of high-power Cherenkov superradiance pulses using 2D periodic slow-wave structures based on oversized cylindrical waveguides

    NASA Astrophysics Data System (ADS)

    Ginzburg, N. S.; Zaslavskii, V. Yu.; Malkin, A. M.; Sergeev, A. S.

    2017-08-01

    We propose to stabilize the azimuthal structure of superradiance pulses using two-dimensional (2D) periodic Bragg structures that simultaneously play the role of a slow-wave system. Analysis performed in the framework of a quasi-optical approach is confirmed by the results of 3D particle-in-cell modeling that demonstrates the possibility of using the proposed system for generating multi-GW nanosecond radiation pulses in the millimeter waveband.

  18. Characterization of the growth of 2D protein crystals on a lipid monolayer by ellipsometry and rigidity measurements coupled to electron microscopy.

    PubMed Central

    Vénien-Bryan, C; Lenne, P F; Zakri, C; Renault, A; Brisson, A; Legrand, J F; Berge, B

    1998-01-01

    We present here some sensitive optical and mechanical experiments for monitoring the process of formation and growth of two-dimensional (2D) crystals of proteins on a lipid monolayer at an air-water interface. The adsorption of proteins on the lipid monolayer was monitored by ellipsometry measurements. An instrument was developed to measure the shear elastic constant (in plane rigidity) of the monolayer. These experiments have been done using cholera toxin B subunit (CTB) and annexin V as model proteins interacting with a monosialoganglioside (GM1) and dioleoylphosphatidylserine (DOPS), respectively. Electron microscopy observations of the protein-lipid layer transferred to grids were systematically used as a control. We found a good correlation between the measured in-plane rigidity of the monolayer and the presence of large crystalline domains observed by electron microscopy grids. Our interpretation of these data is that the crystallization process of proteins on a lipid monolayer passes through at least three successive stages: 1) molecular recognition between protein and lipid-ligand, i.e., adsorption of the protein on the lipid layer; 2) nucleation and growth of crystalline patches whose percolation is detected by the appearance of a non-zero in-plane rigidity; and 3) annealing of the layer producing a slower increase of the lateral or in-plane rigidity. PMID:9591688

  19. Automated screening of 2D crystallization trials using transmission electron microscopy: a high-throughput tool-chain for sample preparation and microscopic analysis.

    PubMed

    Coudray, Nicolas; Hermann, Gilles; Caujolle-Bert, Daniel; Karathanou, Argyro; Erne-Brand, Françoise; Buessler, Jean-Luc; Daum, Pamela; Plitzko, Juergen M; Chami, Mohamed; Mueller, Urs; Kihl, Hubert; Urban, Jean-Philippe; Engel, Andreas; Rémigy, Hervé-W

    2011-02-01

    We have built and extensively tested a tool-chain to prepare and screen two-dimensional crystals of membrane proteins by transmission electron microscopy (TEM) at room temperature. This automated process is an extension of a new procedure described recently that allows membrane protein 2D crystallization in parallel (Iacovache et al., 2010). The system includes a gantry robot that transfers and prepares the crystalline solutions on grids suitable for TEM analysis and an entirely automated microscope that can analyze 96 grids at once without human interference. The operation of the system at the user level is solely controlled within the MATLAB environment: the commands to perform sample handling (loading/unloading in the microscope), microscope steering (magnification, focus, image acquisition, etc.) as well as automatic crystal detection have been implemented. Different types of thin samples can efficiently be screened provided that the particular detection algorithm is adapted to the specific task. Hence, operating time can be shared between multiple users. This is a major step towards the integration of transmission electron microscopy into a high throughput work-flow.

  20. Reconstruction of four-dimensional computed tomography images during treatment time using electronic portal imaging device images based on a dynamic 2D/3D registration

    NASA Astrophysics Data System (ADS)

    Nakamoto, T.; Arimura, H.; Hirose, T. A.; Ohga, S.; Umezu, Y.; Nakamura, Y.; Honda, H.; Sasaki, T.

    2017-03-01

    The goal of our study was to develop a computational framework for reconstruction of four-dimensional computed tomography (4D-CT) images during treatment time using electronic portal imaging device (EPID) images based on a dynamic 2D/3D registration. The 4D-CT images during treatment time ("treatment" 4D-CT images) were reconstructed by performing an affine transformation-based dynamic 2D/3D registration between dynamic clinical portal dose images (PDIs) derived from the EPID images with planning CT images through planning PDIs for all frames. Elements of the affine transformation matrices (transformation parameters) were optimized using a Levenberg-Marquardt (LM) algorithm so that the planning PDIs could be similar to the dynamic clinical PDIs for all frames. Initial transformation parameters in each frame should be determined for finding optimum transformation parameters in the LM algorithm. In this study, the optimum transformation parameters in a frame employed as the initial transformation parameters for optimizing the transformation parameter in the consecutive frame. Gamma pass rates (3 mm/3%) were calculated for evaluating a similarity of the dose distributions between the dynamic clinical PDIs and "treatment" PDIs, which were calculated from "treatment" 4D-CT images, for all frames. The framework was applied to eight lung cancer patients who were treated with stereotactic body radiation therapy (SBRT). A mean of the average gamma pass rates between the dynamic clinical PDIs and the "treatment" PDIs for all frames was 98.3+/-1.2% for eight cases. In conclusion, the proposed framework makes it possible to dynamically monitor patients' movement during treatment time.

  1. Electronic structure quantum Monte Carlo

    NASA Astrophysics Data System (ADS)

    Bajdich, Michal; Mitas, Lubos

    2009-04-01

    Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. The QMC approaches combine analytical insights with stochastic computational techniques for efficient solution of several classes of important many-body problems such as the stationary Schrödinger equation. QMC methods of various flavors have been applied to a great variety of systems spanning continuous and lattice quantum models, molecular and condensed systems, BEC-BCS ultracold condensates, nuclei, etc. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion Hamiltonians. Some of the key QMC achievements include direct treatment of electron correlation, accuracy in predicting energy differences and favorable scaling in the system size. Calculations of atoms, molecules, clusters and solids have demonstrated QMC applicability to real systems with hundreds of electrons while providing 90-95% of the correlation energy and energy differences typically within a few percent of experiments. Advances in accuracy beyond these limits are hampered by the so-called fixed-node approximation which is used to circumvent the notorious fermion sign problem. Many-body nodes of fermion states and their properties have therefore become one of the important topics for further progress in predictive power and efficiency of QMC calculations. Some of our recent results on the wave function nodes and related nodal domain topologies will be briefly reviewed. This includes analysis of few-electron systems and descriptions of exact and approximate nodes using transformations and projections of the highly-dimensional nodal hypersurfaces into the 3D space. Studies of fermion nodes offer new insights into topological properties of eigenstates such as explicit demonstrations that generic fermionic ground states exhibit the minimal number of two nodal domains. Recently proposed trial wave functions based on Pfaffians with

  2. Schottky diodes from 2D germanane

    NASA Astrophysics Data System (ADS)

    Sahoo, Nanda Gopal; Esteves, Richard J.; Punetha, Vinay Deep; Pestov, Dmitry; Arachchige, Indika U.; McLeskey, James T.

    2016-07-01

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe2 framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  3. Schottky diodes from 2D germanane

    SciTech Connect

    Sahoo, Nanda Gopal; Punetha, Vinay Deep; Esteves, Richard J; Arachchige, Indika U.; Pestov, Dmitry; McLeskey, James T.

    2016-07-11

    We report on the fabrication and characterization of a Schottky diode made using 2D germanane (hydrogenated germanene). When compared to germanium, the 2D structure has higher electron mobility, an optimal band-gap, and exceptional stability making germanane an outstanding candidate for a variety of opto-electronic devices. One-atom-thick sheets of hydrogenated puckered germanium atoms have been synthesized from a CaGe{sub 2} framework via intercalation and characterized by XRD, Raman, and FTIR techniques. The material was then used to fabricate Schottky diodes by suspending the germanane in benzonitrile and drop-casting it onto interdigitated metal electrodes. The devices demonstrate significant rectifying behavior and the outstanding potential of this material.

  4. revealing H{sub 2}D{sup +} depletion and compact structure in starless and protostellar cores with ALMA

    SciTech Connect

    Friesen, R. K.; Di Francesco, J.; Bourke, T. L.; Caselli, P.; Jørgensen, J. K.; Pineda, J. E.; Wong, M.

    2014-12-10

    We present Atacama Large Millimeter/submillimeter Array (ALMA) observations of the submillimeter dust continuum and H{sub 2}D{sup +} 1{sub 10}-1{sub 11} emission toward two evolved, potentially protostellar cores within the Ophiuchus molecular cloud, Oph A SM1 and SM1N. The data reveal small-scale condensations within both cores, with mass upper limits of M ≲ 0.02 M {sub ☉} (∼20 M {sub Jup}). The SM1 condensation is consistent with a nearly symmetric Gaussian source with a width of only 37 AU. The SM1N condensation is elongated and extends 500 AU along its major axis. No evidence for substructure is seen in either source. A Jeans analysis indicates that these sources are unlikely to fragment, suggesting that both will form single stars. H{sub 2}D{sup +} is only detected toward SM1N, offset from the continuum peak by ∼150-200 AU. This offset may be due to either heating from an undetected, young, low-luminosity protostellar source or first hydrostatic core, or HD (and consequently H{sub 2}D{sup +}) depletion in the cold center of the condensation. We propose that SM1 is protostellar and that the condensation detected by ALMA is a warm (T ∼ 30-50 K) accretion disk. The less concentrated emission of the SM1N condensation suggests that it is still starless, but we cannot rule out the presence of a low-luminosity source, perhaps surrounded by a pseudodisk. These data observationally reveal the earliest stages of the formation of circumstellar accretion regions and agree with theoretical predictions that disk formation can occur very early in the star formation process, coeval with or just after the formation of a first hydrostatic core or protostar.

  5. Two 2D Cd(II) coordination polymers based on asymmetrical Schiff-base ligand: synthesis, crystal structures and luminescent properties.

    PubMed

    Dang, Dong-Bin; Li, Meng-Meng; Bai, Yan; Zhou, Rui-Min

    2013-02-15

    Two new two-dimensional coordination polymers [Cd(3)L(2)(SCN)(6)](n) (1) and [CdLI(2)](n) (2) have been synthesized and characterized by IR spectroscopy, elemental analysis, TG technique, XRPD and complete single crystal structure analysis, where L is 4-(pyridine-2-yl)methyleneamino-1,2,4-trizaole. Asymmetrical Schiff-base ligand L with five- and six-membered N-containing heterocyclic rings acts as a tridentate bridging ligand to bind two Cd(II) centers through one terminal N(triazolyl) and one pyridylimine chelate unit in 1 and 2. For polymer 1, tridentate bridging ligands link Cd-(1,3-μ-SCN(-)) 1D inorganic chains to form a 2D layer network. The existence of C-H···π and π-π stacking interactions between 2D hybrid layers further gives rise to a 3D supramolecular network. In comparison with 1, polymer 2 shows a 2D layer network containing hexanuclear macrometallacyclic units. The 2D layers are staggered together through the combination of C-H···π and π-π stacking interactions and forming a 3D supramolecular structure. The luminescent properties of the polymers 1 and 2 were investigated in the solid state at room temperature.

  6. The structure of salt bridges between Arg(+) and Glu(-) in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries.

    PubMed

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-07

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu(-)) and arginine (Arg(+)) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu(-) and Arg(+), which provide a sensitive structural probe of Glu(-)⋯Arg(+) salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

  7. The structure of salt bridges between Arg+ and Glu- in peptides investigated with 2D-IR spectroscopy: Evidence for two distinct hydrogen-bond geometries

    NASA Astrophysics Data System (ADS)

    Huerta-Viga, Adriana; Amirjalayer, Saeed; Domingos, Sérgio R.; Meuzelaar, Heleen; Rupenyan, Alisa; Woutersen, Sander

    2015-06-01

    Salt bridges play an important role in protein folding and in supramolecular chemistry, but they are difficult to detect and characterize in solution. Here, we investigate salt bridges between glutamate (Glu-) and arginine (Arg+) using two-dimensional infrared (2D-IR) spectroscopy. The 2D-IR spectrum of a salt-bridged dimer shows cross peaks between the vibrational modes of Glu- and Arg+, which provide a sensitive structural probe of Glu-⋯Arg+ salt bridges. We use this probe to investigate a β-turn locked by a salt bridge, an α-helical peptide whose structure is stabilized by salt bridges, and a coiled coil that is stabilized by intra- and intermolecular salt bridges. We detect a bidentate salt bridge in the β-turn, a monodentate one in the α-helical peptide, and both salt-bridge geometries in the coiled coil. To our knowledge, this is the first time 2D-IR has been used to probe tertiary side chain interactions in peptides, and our results show that 2D-IR spectroscopy is a powerful method for investigating salt bridges in solution.

  8. The preliminary solution structure of human p13MTCP1, an oncogenic protein encoded by the MTCP1 gene, using 2D homonuclear NMR

    NASA Astrophysics Data System (ADS)

    Guignard, L.; Yang, Y.-S.; Padilla, A.; Boiteau, C.; Strub, M.-P.; Hoh, F.; Stern, M.-H.; Roumestand, C.

    1998-02-01

    The human oncogenic protein p13 is coded by the gene MTCP1 which is expressed on mature prolymphocytic leukemias. We investigate its 3D structure using 2D homonuclear NMR. The main secondary structure elements found in p13MTCP1 are antiparallel β-sheets which fold in an eight-stranded orthogonal β-barrel. La protéine oncogénique humaine est codée par le gène MTCP1, exprimé dans des leucémies prolymphocytaires à phénotype mature. Sa structure 3D a été résolue par RMN 2D homonucléaire. p13MTCP1 est essentiellement composée de feuillets β antiparallèles qui s'organisent en un tonneau β orthogonal a huit brins.

  9. Synthesis and structure of a 2D → 3D framework with coexistence of hydrogen bonds and polythreading character

    SciTech Connect

    Zhang, Ming-Dao Zhuang, Qi-Fan; Xu, Jing; Cao, Hui

    2015-12-15

    The title complex, ([Co(BPPA)(5-OH-bdc)] · (H{sub 2}O)){sub n} was prepared under hydrothermal conditions based on two ligands, namely, bis(4-(pyridin-4-yl)phenyl)amine (BPPA) and 5-hydroxyisophthalic acid (5-OH-H{sub 2}bdc). 5-OH-bdc{sup 2–} anions coordinated to Co atoms to give layers in crystal. BPPA ligands coordinate to Co atoms and thread into the adjacent layers. There are hydrogen bonds between adjacent layers, giving rise to a 2D → 3D framework.

  10. Hamiltonian structure of Dubrovin{close_quote}s equation of associativity in 2-d topological field theory

    SciTech Connect

    Galvao, C.A.; Nutku, Y.

    1996-12-01

    mA third order Monge-Amp{grave e}re type equation of associativity that Dubrovin has obtained in 2-d topological field theory is formulated in terms of a variational principle subject to second class constraints. Using Dirac{close_quote}s theory of constraints this degenerate Lagrangian system is cast into Hamiltonian form and the Hamiltonian operator is obtained from the Dirac bracket. There is a new type of Kac-Moody algebra that corresponds to this Hamiltonian operator. In particular, it is not a W-algebra. {copyright} {ital 1996 American Institute of Physics.}

  11. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid

    NASA Astrophysics Data System (ADS)

    Wang, Z.; McKeown Walker, S.; Tamai, A.; Wang, Y.; Ristic, Z.; Bruno, F. Y.; de la Torre, A.; Riccò, S.; Plumb, N. C.; Shi, M.; Hlawenka, P.; Sánchez-Barriga, J.; Varykhalov, A.; Kim, T. K.; Hoesch, M.; King, P. D. C.; Meevasana, W.; Diebold, U.; Mesot, J.; Moritz, B.; Devereaux, T. P.; Radovic, M.; Baumberger, F.

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  12. Tailoring the nature and strength of electron-phonon interactions in the SrTiO3(001) 2D electron liquid.

    PubMed

    Wang, Z; McKeown Walker, S; Tamai, A; Wang, Y; Ristic, Z; Bruno, F Y; de la Torre, A; Riccò, S; Plumb, N C; Shi, M; Hlawenka, P; Sánchez-Barriga, J; Varykhalov, A; Kim, T K; Hoesch, M; King, P D C; Meevasana, W; Diebold, U; Mesot, J; Moritz, B; Devereaux, T P; Radovic, M; Baumberger, F

    2016-08-01

    Surfaces and interfaces offer new possibilities for tailoring the many-body interactions that dominate the electrical and thermal properties of transition metal oxides. Here, we use the prototypical two-dimensional electron liquid (2DEL) at the SrTiO3(001) surface to reveal a remarkably complex evolution of electron-phonon coupling with the tunable carrier density of this system. At low density, where superconductivity is found in the analogous 2DEL at the LaAlO3/SrTiO3 interface, our angle-resolved photoemission data show replica bands separated by 100 meV from the main bands. This is a hallmark of a coherent polaronic liquid and implies long-range coupling to a single longitudinal optical phonon branch. In the overdoped regime the preferential coupling to this branch decreases and the 2DEL undergoes a crossover to a more conventional metallic state with weaker short-range electron-phonon interaction. These results place constraints on the theoretical description of superconductivity and allow a unified understanding of the transport properties in SrTiO3-based 2DELs.

  13. Isolation and structural and pharmacological characterization of α-elapitoxin-Dpp2d, an amidated three finger toxin from black mamba venom.

    PubMed

    Wang, Ching-I Anderson; Reeks, Timothy; Vetter, Irina; Vergara, Irene; Kovtun, Oleksiy; Lewis, Richard J; Alewood, Paul F; Durek, Thomas

    2014-06-17

    We isolated a novel, atypical long-chain three-finger toxin (TFT), α-elapitoxin-Dpp2d (α-EPTX-Dpp2d), from black mamba (Dendroaspis polylepis polylepis) venom. Proteolytic digestion with trypsin and V8 protease, together with MS/MS de novo sequencing, indicated that the mature toxin has an amidated C-terminal arginine, a posttranslational modification rarely observed for snake TFTs. α-EPTX-Dpp2d was found to potently inhibit α7 neuronal nicotinic acetylcholine receptors (nAChR; IC₅₀, 58 ± 24 nM) and muscle-type nAChR (IC₅₀, 114 ± 37 nM) but did not affect α3β2 and α3β4 nAChR isoforms at 1 μM concentrations. Competitive radioligand binding assays demonstrated that α-EPTX-Dpp2d competes with epibatidine binding to the Lymnea stagnalis acetylcholine-binding protein (Ls-AChBP; IC₅₀, 4.9 ± 2.3 nM). The activity profile and binding data are reminiscent of classical long-chain TFTs with a free carboxyl termini, suggesting that amidation does not significantly affect toxin selectivity. The crystal structure of α-EPTX-Dpp2d was determined at 1.7 Å resolution and displayed a dimeric toxin assembly with each monomer positioned in an antiparallel orientation. The dimeric structure is stabilized by extensive intermolecular hydrogen bonds and electrostatic interactions, which raised the possibility that the toxin may exist as a noncovalent homodimer in solution. However, chemical cross-linking and size-exclusion chromatography coupled with multiangle laser light scattering (MALLS) data indicated that the toxin is predominantly monomeric under physiological conditions. Because of its high potency and selectivity, we expect this toxin to be a valuable pharmacological tool for studying the structure and function of nAChRs.

  14. QCD prediction of jet structure in 2D trigger-associated momentum correlations and implications for multiple parton interactions

    NASA Astrophysics Data System (ADS)

    Trainor, Thomas A.

    2015-03-01

    The expression "multiple parton interactions" (MPI) denotes a conjectured QCD mechanism representing contributions from secondary (semi)hard parton scattering to the transverse azimuth region (TR) of jet-triggered p-p collisions. MPI is an object of underlying-event (UE) studies that consider variation of TR nch or pt yields relative to a trigger condition (leading hadron or jet pt). An alternative approach is 2D trigger-associated (TA) correlations on hadron transverse momentum pt or rapidity yt in which all hadrons from all p-p events are included. Based on a two-component (soft+hard) model (TCM) of TA correlations a jet-related TA hard component is isolated. Contributions to the hard component from the triggered dijet and from secondary dijets (MPI) can be distinguished, including their azimuth dependence relative to the trigger direction. Measured e+-e- and p-p¯ fragmentation functions and a minimum-bias jet spectrum from 200 GeV p-p¯ collisions are convoluted to predict the 2D hard component of TA correlations as a function of p-p collision multiplicity. The agreement between QCD predictions and TA correlation data is quantitative, confirming a dijet interpretation for the TCM hard component. The TA azimuth dependence is inconsistent with conventional UE assumptions.

  15. Electronic transport in nanoscale structures

    NASA Astrophysics Data System (ADS)

    Lagerqvist, Johan

    In this dissertation electronic transport in nanoscale structures is discussed. An expression for the shot noise, a fluctuation in current due to the discreteness of charge, is derived directly from the wave functions of a nanoscale system. Investigation of shot noise is of particular interest due to the rich fundamental physics involved. For example, the study of shot noise can provide fundamental insight on the nature of electron transport in a nanoscale junction. We report calculations of the shot noise properties of parallel wires in the regime in which the interwire distance is much smaller than the inelastic mean free path. The validity of quantized transverse momenta in a nanoscale structure and its effect on shot noise is also discussed. We theoretically propose and show the feasibility of a novel protocol for DNA sequencing based on the electronic signature of single-stranded DNA while it translocates through a nanopore. We find that the currents for the bases are sufficiently different to allow for efficient sequencing. Our estimates reveal that sequencing of an entire human genome could be done with very high accuracy in a matter of hours, e.g., orders of magnitude faster than present techniques. We also find that although the overall magnitude of the current may change dramatically with different detection conditions, the intrinsic distinguishability of the bases is not significantly affected by pore size and transverse field strength. Finally, we study the ability of water to screen charges in nanopores by using all-atom molecular dynamics simulations coupled to electrostatic calculations. Due to the short length scales of the nanopore geometry and the large local field gradient of a single ion, the energetics of transporting an ion through the pore is strongly dependent on the microscopic details of the electric field. We show that as long as the pore allows the first hydration shell to stay intact, e.g., ˜6 nearby water molecules, the electric field

  16. Bi3+/M2+ oxyphosphate: a continuous series of polycationic species from the 1D single chain to the 2D planes. Part 2: Crystal structure of three original structural types showing a combination of new ribbonlike polycations.

    PubMed

    Colmont, Marie; Huvé, Marielle; Mentré, Olivier

    2006-08-21

    With the assistance of structural models deduced from the high-resolution electron microscope (HREM) investigation presented in Part 1 of this work, three new structural types were pointed out in Bi2O3-MO-P2O5 ternary systems. Their crystal structures are built on the arrangement of 2D polycationic ribbons formed of edge-sharing O(Bi,M)4 tetrahedra and isolated by PO4 groups. Prior to this study, materials with ribbons up to n = 3 tetrahedra wide have been discovered. The original structures presented here display longer n = 4-6 cases, which suggests a possible continuous series of polycationic entities that range from the single chain (one tetrahedron wide) to the infinite [Bi2O2]2+ Aurivillius layer. The ribbons with n > 3 show strong structural modifications that are able to bring a good ribbon-phosphate cohesion. In addition to these fascinating structural results, this work fully confirms the validity of the decoding established from HREM images of a single crystallite in inhomogeneous mixtures.

  17. Synthesizing 2D and 3D Selenidostannates in Ionic Liquids: The Synergistic Structure-Directing Effects of Ionic Liquids and Metal-Amine Complexes.

    PubMed

    Du, Cheng-Feng; Shen, Nan-Nan; Li, Jian-Rong; Hao, Min-Ting; Wang, Zi; Huang, Xiao-Ying

    2016-05-20

    Presented are the ionothermal syntheses, characterizations, and properties of a series of two- and three-dimensional selenidostannate compounds synergistically directed by metal-amine complex (MAC) cations and ionic liquids (ILs) of [Bmmim]Cl (Bmmim=1-butyl-2,3-dimethylimidazolium). Four selenidostannates, namely, 2D-(Bmmim)3 [Ni(en)3 ]2 [Sn9 Se21 ]Cl (1, en=ethylenediamine), 2D-(Bmmim)8 [Ni2 (teta)2 (μ-teta)]Sn18 Se42 (2, teta=triethylenetetramine), 2D-(Bmmim)4 [Ni(tepa)Cl]2 [Ni(tepa)Sn12 Se28 ] (3, tepa=tetraethylenepentamine), and 3D-(Bmmim)2 [Ni(1,2-pda)3 ]Sn8 Se18 (4, 1,2-pda=1,2-diaminopropane), were obtained. Single-crystal X-ray diffraction analyses revealed that compounds 1 and 2 possess a lamellar anionic [Sn3 Se7 ]n (2n-) structure comprising distinct eight-membered ring units, whereas 3 features a MAC-decorated anionic [Ni(tepa)Sn12 Se28 ]n (6n-) layered structure. In contrast to 1-3, compound 4 exhibits a 3D open framework of anionic [Sn4 Se9 ]n (2n-) . The structural variation from 1 to 4 clearly indicates that on the basis of the synergistic structure-directing ability of the MACs and ILs, variation of the organic polyamine ligand has a significant impact on the formation of selenidostannates.

  18. Electronic Structure of UGe_2

    NASA Astrophysics Data System (ADS)

    Denlinger, J. D.; Rossnagel, Kai; Allen, J. W.; Huxley, A. D.; Flouquet, J.

    2003-03-01

    UGe2 is of high current interest in connection with the possible role of ferromagnetic fluctuations in its pressure induced superconductivity, for which the Fermi surface (FS) is thought to be important. The band structure and FS contours of a single crystal have been measured using resonant angle-resolved photoemission near the U 5d to 5f edge. Quantitative comparisons to available band structure calculations and to magneto-oscillaory measurements will be presented. Discrepancies with theory are generically similar to those(J.D. Denlinger et al.), J. Electron Spectrosc. Relat. Phenom. 117-118, 347 (2001). found for heavy Fermion URu_2Si2 in that the underlying non-f bands appear to play the major role in defining the FS and in determining the k-space location of 5f spectral weight, in contrast to the important role of actual f-bands in the theory. Supported by the U.S. NSF at U. Mich. (DMR-9971611) and by the U.S. DOE at U. Mich. (DE-FG02-90ER45416) and at the Advanced Light Source (DE-AC03-76SF00098).

  19. Two dimensional electron spin resonance: Structure and dynamics of biomolecules

    NASA Astrophysics Data System (ADS)

    Saxena, Sunil; Freed, Jack H.

    1998-03-01

    The potential of two dimensional (2D) electron spin resonance (ESR) for measuring the structural properties and slow dynamics of labeled biomolecules will be presented. Specifically, it will be shown how the recently developed method of double quantum (DQ) 2D ESR (S. Saxena and J. H. Freed, J. Chem. Phys. 107), 1317, (1997) can be used to measure large interelectron distances in bilabeled peptides. The need for DQ ESR spectroscopy, as well as the challenges and advantages of this method will be discussed. The elucidation of the slow reorientational dynamics of this peptide (S. Saxena and J. H. Freed, J. Phys. Chem. A, 101) 7998 (1997) in a glassy medium using COSY and 2D ELDOR ESR spectroscopy will be demonstrated. The contributions to the homogeneous relaxation time, T_2, from the overall and/or internal rotations of the nitroxide can be distinguished from the COSY spectrum. The growth of spectral diffusion cross-peaks^2 with mixing time in the 2D ELDOR spectra can be used to directly determine a correlation time from the experiment which can be related to the rotational correlation time.

  20. Unraveling the dynamics and structure of functionalized self-assembled monolayers on gold using 2D IR spectroscopy and MD simulations

    PubMed Central

    Yan, Chang; Yuan, Rongfeng; Pfalzgraff, William C.; Nishida, Jun; Wang, Lu; Markland, Thomas E.; Fayer, Michael D.

    2016-01-01

    Functionalized self-assembled monolayers (SAMs) are the focus of ongoing investigations because they can be chemically tuned to control their structure and dynamics for a wide variety of applications, including electrochemistry, catalysis, and as models of biological interfaces. Here we combine reflection 2D infrared vibrational echo spectroscopy (R-2D IR) and molecular dynamics simulations to determine the relationship between the structures of functionalized alkanethiol SAMs on gold surfaces and their underlying molecular motions on timescales of tens to hundreds of picoseconds. We find that at higher head group density, the monolayers have more disorder in the alkyl chain packing and faster dynamics. The dynamics of alkanethiol SAMs on gold are much slower than the dynamics of alkylsiloxane SAMs on silica. Using the simulations, we assess how the different molecular motions of the alkyl chain monolayers give rise to the dynamics observed in the experiments. PMID:27044113

  1. Two-dimensional (2D) infrared correlation study of the structural characterization of a surface immobilized polypeptide film stimulated by pH

    NASA Astrophysics Data System (ADS)

    Chae, Boknam; Son, Seok Ho; Kwak, Young Jun; Jung, Young Mee; Lee, Seung Woo

    2016-11-01

    The pH-induced structural changes to surface immobilized poly (L-glutamic acid) (PLGA) films were examined by Fourier transform infrared (FTIR) spectroscopy and two-dimensional (2D) correlation analysis. Significant spectral changes were observed in the FTIR spectra of the surface immobilized PLGA film between pH 6 and 7. The 2D correlation spectra constructed from the pH-dependent FTIR spectra of the surface immobilized PLGA films revealed the spectral changes induced by the alternations of the protonation state of the carboxylic acid group in the PLGA side chain. When the pH was increased from 6 to 8, weak spectral changes in the secondary structure of the P