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Sample records for oriented molecular nanowires

  1. Chemical synthesis of oriented ferromagnetic LaSr-2 × 4 manganese oxide molecular sieve nanowires.

    PubMed

    Carretero-Genevrier, Adrián; Gazquez, Jaume; Magén, César; Varela, María; Ferain, Etienne; Puig, Teresa; Mestres, Narcís; Obradors, Xavier

    2012-06-25

    We report a chemical solution based method using nanoporous track-etched polymer templates for producing long and oriented LaSr-2 × 4 manganese oxide molecular sieve nanowires. Scanning transmission electron microscopy and electron energy loss spectroscopy analyses show that the nanowires are ferromagnetic at room temperature, single crystalline, epitaxially grown and self-aligned.

  2. Chemical synthesis of oriented ferromagnetic LaSr-2 × 4 manganese oxide molecular sieve nanowires

    SciTech Connect

    Carretero-Genevrier, Adrián; Gazquez, Jaume; Magen, Cesar; Varela, Maria; Ferain, Etienne; Puig, Teresa; Mestres, Narcis; Obradors, Xavier

    2012-04-25

    Here we report a chemical solution based method using nanoporous track-etched polymer templates for producing long and oriented LaSr-2 × 4 manganese oxide molecular sieve nanowires. Scanning transmission electron microscopy and electron energy loss spectroscopy analyses show that the nanowires are ferromagnetic at room temperature, single crystalline, epitaxially grown and self-aligned.

  3. Structures and orientation-dependent interaction forces of titania nanowires using molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Okeke, George; Antony, S. Joseph; Hammond, Robert B.; Ahmed, Kamran

    2017-07-01

    Engineering nanowires to develop new products and processes is highly topical due to their ability to provide highly enhanced physical, chemical, mechanical, thermal and electrical properties. In this work, using molecular dynamics simulations, we report fundamental information, about the structural and thermodynamic properties of individual anatase titania (TiO2) nanowires with cross-sectional diameters between 2 and 6 nm, and aspect ratio (length to diameter) of 6:1 at temperatures ranging from 300 to 3000 K. Estimates of the melting transition temperature of the nanowires are between 2000 and 2500 K. The melting transition temperature predicted from the radial distribution functions (RDFs) shows strong agreement with those predicted from the total energy profiles. Overall, the transition temperature is in reasonable agreement with melting points predicted from experiments and simulations reported in the literature for spherical nanoparticles of similar sizes. Hence, the melting transition temperature of TiO2 nanowires modelled here can be considered as shape independent. Furthermore, for the first time based on MD simulations, interaction forces between two nanowires are reported at ambient temperature (300 K) for different orientations: parallel, perpendicular and end-to-end. It is observed that end-to-end orientations manifested the strongest attraction forces, while the parallel and perpendicular orientations displayed weaker attractions. The results reported here could form a foundation in future multiscale modelling studies of the structured titania nanowire assemblies, depending on the inter-wire interaction forces.

  4. Influence of substrate orientation on the structural quality of GaAs nanowires in molecular beam epitaxy.

    PubMed

    Zhang, Zhi; Shi, Sui-Xing; Chen, Ping-Ping; Lu, Wei; Zou, Jin

    2015-01-26

    In this study, the effect of substrate orientation on the structural quality of Au-catalyzed epitaxial GaAs nanowires grown by a molecular beam epitaxy reactor has been investigated. It was found that the substrate orientations can be used to manipulate the nanowire catalyst composition and the catalyst surface energy and, therefore, to alter the structural quality of GaAs nanowires grown on different substrates. Defect-free wurtzite-structured GaAs nanowires grown on the GaAs (110) substrate have been achieved under our growth conditions.

  5. NH3 molecular doping of silicon nanowires grown along the [112], [110], [001], and [111] orientations

    PubMed Central

    2012-01-01

    The possibility that an adsorbed molecule could provide shallow electronic states that could be thermally excited has received less attention than substitutional impurities and could potentially have a high impact in the doping of silicon nanowires (SiNWs). We show that molecular-based ex-situ doping, where NH3 is adsorbed at the sidewall of the SiNW, can be an alternative path to n-type doping. By means of first-principle electronic structure calculations, we show that NH3 is a shallow donor regardless of the growth orientation of the SiNWs. Also, we discuss quantum confinement and its relation with the depth of the NH3 doping state, showing that the widening of the bandgap makes the molecular donor level deeper, thus more difficult to activate. PMID:22709657

  6. A possible oriented attachment growth mechanism for silver nanowire formation

    DOE PAGES

    Murph, Simona E. Hunyadi; Murphy, Catherine J.; Leach, Austin; ...

    2015-04-06

    Electron microscopy studies suggest that silver nanowires prepared by an approach reported earlier by us (Caswell, K. K., Bender, C. M., Murphy, C. J. Nano Lett.,2003, 3, 667–669) form through a coarsening process via an oriented attachment mechanism. Initially, silver nucleation centers were produced by chemical reduction of silver ions in boiling water, with sodium citrate and sodium hydroxide as additives in solution. These nucleation centers, with a twinned crystallographic orientation, ultimately merge into fully grown silver nanowires. This is a completely different mechanism from the seed-mediated growth approach, which has also been used to produce silver nanowires. Furthermore, companionmore » molecular dynamics performed with the embedded atom method are in agreement with our experimental data.« less

  7. A possible oriented attachment growth mechanism for silver nanowire formation

    SciTech Connect

    Murph, Simona E. Hunyadi; Murphy, Catherine J.; Leach, Austin; Gall, Kenneth

    2015-04-06

    Electron microscopy studies suggest that silver nanowires prepared by an approach reported earlier by us (Caswell, K. K., Bender, C. M., Murphy, C. J. Nano Lett.,2003, 3, 667–669) form through a coarsening process via an oriented attachment mechanism. Initially, silver nucleation centers were produced by chemical reduction of silver ions in boiling water, with sodium citrate and sodium hydroxide as additives in solution. These nucleation centers, with a twinned crystallographic orientation, ultimately merge into fully grown silver nanowires. This is a completely different mechanism from the seed-mediated growth approach, which has also been used to produce silver nanowires. Furthermore, companion molecular dynamics performed with the embedded atom method are in agreement with our experimental data.

  8. Domain wall orientation in magnetic nanowires.

    PubMed

    Vedmedenko, E Y; Kubetzka, A; von Bergmann, K; Pietzsch, O; Bode, M; Kirschner, J; Oepen, H P; Wiesendanger, R

    2004-02-20

    Scanning tunneling microscopy reveals that domain walls in ultrathin Fe nanowires are oriented along a certain crystallographic direction, regardless of the orientation of the wires. Monte Carlo simulations on a discrete lattice are in accordance with the experiment if the film relaxation is taken into account. We demonstrate that the wall orientation is determined by the atomic lattice and the resulting strength of an effective exchange interaction. The magnetic anisotropy and the magnetostatic energy play a minor role for the wall orientation in that system.

  9. Conductivity of Nanowire Arrays under Random and Ordered Orientation Configurations

    PubMed Central

    Jagota, Milind; Tansu, Nelson

    2015-01-01

    A computational model was developed to analyze electrical conductivity of random metal nanowire networks. It was demonstrated for the first time through use of this model that a performance gain in random metal nanowire networks can be achieved by slightly restricting nanowire orientation. It was furthermore shown that heavily ordered configurations do not outperform configurations with some degree of randomness; randomness in the case of metal nanowire orientations acts to increase conductivity. PMID:25976936

  10. Simulation of Young’s moduli for hexagonal ZnO [0 0 0 1]-oriented nanowires: first principles and molecular mechanical calculations

    NASA Astrophysics Data System (ADS)

    Bandura, Andrei V.; Evarestov, Robert A.; Lukyanov, Sergey I.; Piskunov, Sergei; Zhukovskii, Yuri F.

    2017-08-01

    Morphologically reproducible wurtzite-structured zinc oxide nanowires (ZnO NWs) can be synthesized by different methods. Since ZnO NWs have been found to possess piezoelectricity, a comprehensive study of their mechanical properties, e.g. deformations caused by external compression or stretching, is one of the actual tasks of this paper. We have calculated wurtzite-structured [0 0 0 1]-oriented ZnO NWs whose diameters have been varied within 1-5 nm and 1-20 nm ranges when using either ab initio (hybrid DFT-LCAO) or force-field (molecular mechanical) methods, respectively (the minimum diameter d NW of experimentally synthesized NWs has been estimated on average to be ~20 nm). When using both chosen calculation approaches, the values of Young’s moduli determined for the mentioned ranges of NW diameters have been found to be qualitatively compatible (168-169 GPa for 5 nm NW thickness), whereas results of molecular mechanical simulations on Y NW for 20 nm-thick NWs (160-162 GPa) have been qualitatively comparable with those experimentally measured along the [0 0 0 1] direction of NW loading. In all the cases, a gradual increase of the NW diameter has resulted in an asymptotic decrease of Young’s modulus consequently approaching that (Y b) of wurtzite-structured ZnO bulk along its [0 0 0 1] axis. The novelty of this study is that we combine the computation methods of quantum chemistry and molecular mechanics, while the majority of previous studies with the same aim have focused on the application of different classical molecular dynamical methods.

  11. Infrared properties of randomly oriented silver nanowires

    NASA Astrophysics Data System (ADS)

    Larciprete, M. C.; Albertoni, A.; Belardini, A.; Leahu, G.; Li Voti, R.; Mura, F.; Sibilia, C.; Nefedov, I.; Anoshkin, I. V.; Kauppinen, E. I.; Nasibulin, A. G.

    2012-10-01

    We experimentally investigated the infrared properties of a set of randomly oriented silver nanowires films deposited onto glass substrate. Infrared emission of the obtained films was characterized in the long infrared range, i.e., 8-12 μm, by observing their temperature evolution under heating regime with a focal plane array infrared camera as well as a thermocouple. The obtained experimental results showed that the infrared emission from a mesh composed of silver nanowires might be tailored by opportunely assessing preparation condition, such as the metal filling factor. From the theoretical point of view, the real and imaginary part of the electrical permittivity components were retrieved from the calculations of effective permittivities of in-plane randomly oriented metallic wires, thus giving the refractive index and extinction coefficients for the four different silver nanowires meshes. Due to the correspondence between emissivity and absorbance, the experimental results are interpreted with the reconstructed corresponding absorbance spectra, thus suggesting that these coatings are suitable for infrared signature reduction applications.

  12. A semi-continuum model on vibration frequency of silicon nanowires in <111> orientation

    SciTech Connect

    Yu, Hong Chen, Hong-Bo

    2016-06-15

    In this article, a new semi-continuum model is built to describe the fundamental vibration frequency of the silicon nanowires in <111> orientation. The Keating potential model and the discrete nature in the width and the thickness direction of the silicon nanowires in <111> orientation are applied in the new semi-continuum model. Based on the Keating model and the principle of conservation of energy, the vibration frequency of the silicon nanowires with the triangle, the rhombus, and the hexagon cross sections are derived. It is indicated that the calculation results based on this new model are accordant with the simulation results of the software based on molecular dynamics (MD).

  13. Orientation Dependence of Electromechanical Characteristics of Defect-free InAs Nanowires.

    PubMed

    Zheng, Kun; Zhang, Zhi; Hu, Yibin; Chen, Pingping; Lu, Wei; Drennan, John; Han, Xiaodong; Zou, Jin

    2016-03-09

    Understanding the electrical properties of defect-free nanowires with different structures and their responses under deformation are essential for design and applications of nanodevices and strain engineering. In this study, defect-free zinc-blende- and wurtzite-structured InAs nanowires were grown using molecular beam epitaxy, and individual nanowires with different structures and orientations were carefully selected and their electrical properties and electromechanical responses were investigated using an electrical probing system inside a transmission electron microscope. Through our careful experimental design and detailed analyses, we uncovered several extraordinary physical phenomena, such as the electromechanical characteristics are dominated by the nanowire orientation, rather than its crystal structure. Our results provide critical insights into different responses induced by deformation of InAs with different structures, which is important for nanowire-based devices.

  14. Atomistic Simulations of the Size, Orientation and Temperature Dependence of Tensile Behavior in GaN Nanowires

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao; Yang, Li; Gao, Fei; Weber, William J.

    2007-07-15

    Molecular dynamics simulations with Stillinger-Weber potentials were used to study the response of wurtzite-type single crystalline GaN nanowires to a tensile strain along the axial direction. Nanowires with axial orientations along the [0001], [1 00] and [11 0] crystallographic directions, which correspond to experimentally synthesized nanowires, were studied. The results reveal that the nanowires with different axial orientations show distinctly different deformation behavior under loading. The brittle to ductile transition (BDT) was observed in the nanowires oriented along the [0001] direction and the BDT temperatures lie in the temperature range between 1500 and 1800 K. The nanowires oriented along the [11 0] direction exhibit slip in the {01 0} planes; whereas the nanowires oriented along the [1 00] direction fracture in a cleavage manner under tensile loading. It should be emphasized that multiple yield stresses were observed during different stages in the [11 0]-oriented nanowires. In general, Young's modulus of the GaN nanowires decreases with decreasing diameter of the nanowires.

  15. Strong Surface Orientation Dependent Thermal Transport in Si Nanowires

    PubMed Central

    Zhou, Yanguang; Chen, Yuli; Hu, Ming

    2016-01-01

    Thermoelectrics, which convert waste heat to electricity, offer an attractive pathway for addressing an important niche in the globally growing landscape of energy demand. Research to date has focused on reducing the thermal conductivity relative to the bulk. Si nanowires (NWs) have received exceptional attention due to their low-dimensionality, abundance of availability, and high carrier mobility. From thermal transport point of view, the thermal conductivity of Si NWs strongly depends on the detailed surface structure, such as roughness and surface orientation. Here, direct molecular dynamics simulations and theoretical models are used to investigate the thermal transport in Si NWs with diverse surface orientations. Our results show that the thermal conductivity of Si NWs with different surface orientation can differ by as large as 2.7~4.2 times, which suggests a new route to boost the thermoelectric performance. Using the full spectrum theory, we find that the surface orientation, which alters the distribution of atoms on the surface and determines the degree of phonon coupling between the core and the surface, is the dominant mechanism. Furthermore, using spectral thermal conductivity, the remarkable difference in the thermal conductivity for different surface orientation is found to only stem from the phonons in the medium frequency range, with minor contribution from low and high frequency phonons. PMID:27113556

  16. Strong Surface Orientation Dependent Thermal Transport in Si Nanowires

    NASA Astrophysics Data System (ADS)

    Zhou, Yanguang; Chen, Yuli; Hu, Ming

    2016-04-01

    Thermoelectrics, which convert waste heat to electricity, offer an attractive pathway for addressing an important niche in the globally growing landscape of energy demand. Research to date has focused on reducing the thermal conductivity relative to the bulk. Si nanowires (NWs) have received exceptional attention due to their low-dimensionality, abundance of availability, and high carrier mobility. From thermal transport point of view, the thermal conductivity of Si NWs strongly depends on the detailed surface structure, such as roughness and surface orientation. Here, direct molecular dynamics simulations and theoretical models are used to investigate the thermal transport in Si NWs with diverse surface orientations. Our results show that the thermal conductivity of Si NWs with different surface orientation can differ by as large as 2.7~4.2 times, which suggests a new route to boost the thermoelectric performance. Using the full spectrum theory, we find that the surface orientation, which alters the distribution of atoms on the surface and determines the degree of phonon coupling between the core and the surface, is the dominant mechanism. Furthermore, using spectral thermal conductivity, the remarkable difference in the thermal conductivity for different surface orientation is found to only stem from the phonons in the medium frequency range, with minor contribution from low and high frequency phonons.

  17. Oriented epitaxial TiO2 nanowires for water splitting

    NASA Astrophysics Data System (ADS)

    Hou, Wenting; Cortez, Pablo; Wuhrer, Richard; Macartney, Sam; Bozhilov, Krassimir N.; Liu, Rong; Sheppard, Leigh R.; Kisailus, David

    2017-06-01

    Highly oriented epitaxial rutile titanium dioxide (TiO2) nanowire arrays have been hydrothermally grown on polycrystalline TiO2 templates with their orientation dependent on the underlying TiO2 grain. Both the diameter and areal density of the nanowires were tuned by controlling the precursor concentration, and the template surface energy and roughness. Nanowire tip sharpness was influenced by precursor solubility and diffusivity. A new secondary ion mass spectrometer technique has been developed to install additional nucleation sites in single crystal TiO2 templates and the effect on nanowire growth was probed. Using the acquired TiO2 nanowire synthesis knowhow, an assortment of nanowire arrays were installed upon the surface of undoped TiO2 photo-electrodes and assessed for their photo-electrochemical water splitting performance. The key result obtained was that the presence of short and dispersed nanowire arrays significantly improved the photocurrent when the illumination intensity was increased from 100 to 200 mW cm-2. This is attributed to the alignment of the homoepitaxially grown nanowires to the [001] direction, which provides the fastest charge transport in TiO2 and an improved pathway for photo-holes to find water molecules and undertake oxidation. This result lays a foundation for achieving efficient water splitting under conditions of concentrated solar illumination.

  18. Silicon Nanowire Growth at Chosen Positions and Orientations

    NASA Technical Reports Server (NTRS)

    Getty, Stephanie A.

    2009-01-01

    It is now possible to grow silicon nanowires at chosen positions and orientations by a method that involves a combination of standard microfabrication processes. Because their positions and orientations can be chosen with unprecedented precision, the nanowires can be utilized as integral parts of individually electronically addressable devices in dense arrays. Nanowires made from silicon and perhaps other semiconductors hold substantial promise for integration into highly miniaturized sensors, field-effect transistors, optoelectronic devices, and other electronic devices. Like bulk semiconductors, inorganic semiconducting nanowires are characterized by electronic energy bandgaps that render them suitable as means of modulating or controlling electronic signals through electrostatic gating, in response to incident light, or in response to molecules of interest close to their surfaces. There is now potential for fabricating arrays of uniform, individually electronically addressable nanowires tailored to specific applications. The method involves formation of metal catalytic particles at the desired positions on a substrate, followed by heating the substrate in the presence of silane gas. The figure illustrates an example in which a substrate includes a silicon dioxide surface layer that has been etched into an array of pillars and the catalytic (in this case, gold) particles have been placed on the right-facing sides of the pillars. The catalytic thermal decomposition of the silane to silicon and hydrogen causes silicon columns (the desired nanowires) to grow outward from the originally catalyzed spots on the substrate, carrying the catalytic particles at their tips. Thus, the position and orientation of each silicon nanowire is determined by the position of its originally catalyzed spot on the substrate surface, and the orientation of the nanowire is perpendicular to the substrate surface at the originally catalyzed spot.

  19. Electro-orientation and electrorotation of metal nanowires.

    PubMed

    Arcenegui, Juan J; García-Sánchez, Pablo; Morgan, Hywel; Ramos, Antonio

    2013-12-01

    The physical mechanisms responsible for the electrical orientation and electrical rotation of metal nanowires suspended in an electrolyte as a function of frequency of the applied ac electric field are examined theoretically and experimentally. The alignment of a nanowire in an ac field with a fixed direction is called electro-orientation. The induced constant rotation of a nanowire in a rotating electric field is called electrorotation. In both situations, the applied electric field interacts with the induced charge in the electrical double layer at the metal-electrolyte interface, causing rotation due to the torque on the induced dipole, and also from induced-charge electro-osmotic flow around the particle. First, we describe the dipole theory that describes electro-orientation and electrorotation of perfectly polarizable metal rods. Second, based on a slender approximation, an analytical theory that describes induced-charge electro-orientation and electrorotation of metal nanowires is provided. Finally, experimental measurements of the electro-orientation and electrorotation of metal nanowires are presented and compared with theory, providing a comprehensive study of the relative importance between induced-dipole rotation and induced-charge electro-osmotic rotation.

  20. Biodiagnostics using oriented and aligned inorganic semiconductor nanotubes and nanowires.

    PubMed

    Kar, Piyush; Shankar, Karthik

    2013-07-01

    The simplicity of synthesis of deterministically positioned inorganic semiconductor nanorods (NRs) and nanotubes (NTs) coupled with their chemical stability, high surface area, controllable optical properties and tunable surface functionality, have sparked worldwide research efforts towards biodiagnostic applications. Biosensors based on oriented and aligned one-dimensional (1-D) inorganic semiconductor nanostructures have demonstrated remarkable detection sensitivity, high throughput and label-free operability. In comparison to suspensions of nanoparticles and discrete randomly oriented nanowires, nanowire (NW) and nanotube arrays offer continuous charge transport pathways, a major advantage for all-electrical detection and in exploiting electrokinetic effects. We review highly sensitive biosensors based on oriented and aligned NTs/NRs/NWs employing conventional detection methods, inclusive of fluorescence, electrochemistry and electromechanical sensing as well as detection methods unique to nanowires such as field-effect transistors. Entirely new types of sensing applications such as the impaling of living cells to monitor cellular events in situ, and substrates with electrically controlled wetting for surface-assisted laser desorption and ionization are emerging to take advantage of the unique properties of nanowire arrays. Concurrently, we explain the semiconductor materials and architectures employed, and the functionalization procedures used to construct the biosensors. Aligned semiconductor array-based approaches are critically examined in relation to prevailing technologies to get a sense of the exclusive niches that nanotube/nanorod array biosensors inhabit. The versatility of the detection principles that nanowire/nanotube arrays are compatible with are enabling hybrid approaches where combinations of detection methods are used. Such advantages offset the complexity associated with changing the status quo with respect to the current state-of-the-art in

  1. Nonequilibrium transport through a disordered molecular nanowire

    NASA Astrophysics Data System (ADS)

    Thiessen, P.; Díaz, E.; Römer, R. A.; Domínguez-Adame, F.

    2017-05-01

    We investigate the nonequilibrium transport properties of a disordered molecular nanowire. The nanowire is regarded as a quasi-one-dimensional organic crystal composed of self-assembled molecules. One orbital and a single random energy are assigned to each molecule while the intermolecular coupling does not fluctuate. Consequently, electronic states are expected to be spatially localized. We consider the regime of strong localization, namely, the localization length is smaller than the length of the molecular wire. Electron-vibron interaction, taking place at each single molecule, is also considered. We investigate the interplay between static disorder and electron-vibron interaction in response to either an applied electric bias or a temperature gradient. To this end, we calculate the electric and heat currents when the nanowire is connected to leads, using the Keldysh nonequilibrium Green's function formalism. At intermediate temperature, scattering by disorder dominates both charge and heat transport. We find that the electron-vibron interaction enhances the effect of the disorder on the transport properties due to the decrease of the coherent electron tunneling among molecules.

  2. Temperature-induced solid-phase oriented rearrangement route to the fabrication of NaNbO3 nanowires.

    PubMed

    Liu, Lei; Li, Bo; Yu, Dinghua; Cui, Yuming; Zhou, Xingfu; Ding, Weiping

    2010-01-21

    We proposed here a temperature-induced solid-phase oriented rearrangement route to the fabrication of NaNbO(3) nanowires by using sandia octahedral molecular sieves (SOMS) Na(2)Nb(2)O(6) x H(2)O as a precursor. The SOMS precursor was prepared by using metal Nb powder as a raw material through the hydrothermal approach.

  3. Magnetic properties of single crystalline Co nanowire arrays with different diameters and orientations

    NASA Astrophysics Data System (ADS)

    Huang, X. H.; Li, G. H.; Dou, X. C.; Li, L.

    2009-04-01

    Single crystalline Co nanowire arrays with different diameters and orientations were grown within porous anodic alumina membranes by a pulsed electrodeposition technique and the magnetic properties of the nanowire were systematically studied. It was found that the magnetization behavior of the Co nanowire arrays is anisotropic and their magnetic properties can be effectively modulated through tuning either the diameter or the orientation of the nanowires. The magnetic properties of the Co nanowires were discussed qualitatively by using the classical magnetization theory and single domain model.

  4. Depth resolved luminescence from oriented ZnO nanowires.

    SciTech Connect

    Rosenberg, R. A.; Abu Haija, M.; Vijayalakshmi, K.; Zhou, J.; Xu, S.; Wang, Z. L.; Georgia Inst. of Tech.

    2009-12-14

    We have utilized the limited penetration depth of x-rays to study the near-surface properties of vertically aligned ZnO nanowires. For an energy of 600 eV the penetration depth varies between 3 and 132 nm as the incidence angle changes from 2{sup o} to 33{sup o}. Thus, by obtaining optical luminescence spectra as a function of incidence angle, it is possible to probe the near-surface region with nanometer-scale resolution. We will present angle dependent optical luminescence data from oriented ZnO nanowires. By fitting the results to a simple model, we extract a depth for the surface defect regions of -14 nm.

  5. Nucleation mechanism of gallium-assisted molecular beam epitaxy growth of gallium arsenide nanowires

    SciTech Connect

    Fontcuberta i Morral, A.; Colombo, C.; Abstreiter, G.; Arbiol, J.; Morante, J. R.

    2008-02-11

    Molecular beam epitaxy Ga-assisted synthesis of GaAs nanowires is demonstrated. The nucleation and growth are seen to be related to the presence of a SiO{sub 2} layer previously deposited on the GaAs wafer. The interaction of the reactive gallium with the SiO{sub 2} pinholes induces the formation of nanocraters, found to be the key for the nucleation of the nanowires. With SiO{sub 2} thicknesses up to 30 nm, nanocraters reach the underlying substrate, resulting into a preferential growth orientation of the nanowires. Possibly related to the formation of nanocraters, we observe an incubation period of 258 s before the nanowires growth is initiated.

  6. GaAs Core/SrTiO3 Shell Nanowires Grown by Molecular Beam Epitaxy.

    PubMed

    Guan, X; Becdelievre, J; Meunier, B; Benali, A; Saint-Girons, G; Bachelet, R; Regreny, P; Botella, C; Grenet, G; Blanchard, N P; Jaurand, X; Silly, M G; Sirotti, F; Chauvin, N; Gendry, M; Penuelas, J

    2016-04-13

    We have studied the growth of a SrTiO3 shell on self-catalyzed GaAs nanowires grown by vapor-liquid-solid assisted molecular beam epitaxy on Si(111) substrates. To control the growth of the SrTiO3 shell, the GaAs nanowires were protected using an arsenic capping/decapping procedure in order to prevent uncontrolled oxidation and/or contamination of the nanowire facets. Reflection high energy electron diffraction, scanning electron microscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy were performed to determine the structural, chemical, and morphological properties of the heterostructured nanowires. Using adapted oxide growth conditions, it is shown that most of the perovskite structure SrTiO3 shell appears to be oriented with respect to the GaAs lattice. These results are promising for achieving one-dimensional epitaxial semiconductor core/functional oxide shell nanostructures.

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

    SciTech Connect

    Carretero-Genevrier, Adrian; Oro-Sole, Judith; Gazquez, Jaume; Magen, Cesar; Miranda, Laura; Puig, Teresa; Obradors, Xavier; Ferain, Etienne; Sanchez, Clement; Rodriguez-Carvajal, Juan; Mestres, Narcis

    2013-12-13

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

  8. Synthesis, Magnetic Anisotropy and Optical Properties of Preferred Oriented Zinc Ferrite Nanowire Arrays

    PubMed Central

    2010-01-01

    Preferred oriented ZnFe2O4 nanowire arrays with an average diameter of 16 nm were fabricated by post-annealing of ZnFe2 nanowires within anodic aluminum oxide templates in atmosphere. Selected area electron diffraction and X-ray diffraction exhibit that the nanowires are in cubic spinel-type structure with a [110] preferred crystallite orientation. Magnetic measurement indicates that the as-prepared ZnFe2O4 nanowire arrays reveal uniaxial magnetic anisotropy, and the easy magnetization direction is parallel to the axis of nanowire. The optical properties show the ZnFe2O4 nanowire arrays give out 370–520 nm blue-violet light, and their UV absorption edge is around 700 nm. The estimated values of direct and indirect band gaps for the nanowires are 2.23 and 1.73 eV, respectively. PMID:20676211

  9. Synthesis, magnetic anisotropy and optical properties of preferred oriented zinc ferrite nanowire arrays.

    PubMed

    Gao, Daqiang; Shi, Zhenhua; Xu, Yan; Zhang, Jing; Yang, Guijin; Zhang, Jinlin; Wang, Xinhua; Xue, Desheng

    2010-05-22

    Preferred oriented ZnFe2O4 nanowire arrays with an average diameter of 16 nm were fabricated by post-annealing of ZnFe2 nanowires within anodic aluminum oxide templates in atmosphere. Selected area electron diffraction and X-ray diffraction exhibit that the nanowires are in cubic spinel-type structure with a [110] preferred crystallite orientation. Magnetic measurement indicates that the as-prepared ZnFe2O4 nanowire arrays reveal uniaxial magnetic anisotropy, and the easy magnetization direction is parallel to the axis of nanowire. The optical properties show the ZnFe2O4 nanowire arrays give out 370-520 nm blue-violet light, and their UV absorption edge is around 700 nm. The estimated values of direct and indirect band gaps for the nanowires are 2.23 and 1.73 eV, respectively.

  10. Chemical and molecular beam epitaxy of III-V nanowires on silicon for photovoltaic application

    NASA Astrophysics Data System (ADS)

    Radhakrishnan, Gokul

    Nanowires, due to their unique structure and carrier transport abilities, have sparked huge interest in the semiconductor industry. An array of nanometric size wires inserted between the p and n conductivity regions of a conventional solar cell or core shell type p-n junction nanowires synergized with semiconductor nanocrystals can lead to faster carrier collection, thereby improving device performance. This work investigates the growth of GaAs and InP semiconductor nanowires on silicon (111) using Chemical Beam Epitaxy (CBE) and Molecular Beam Epitaxy (MBE). Uniform gold nanoparticles acting as growth centers in the Vapor Liquid Solid mode of growth were generated by using the cheap and rapid technique called Nanosphere Lithography (NSL). Variation of the experimental parameters during NSL resulted in honeycomb and hexagonal patterns of gold nanoparticles. A high degree of selectivity was obtained for CBE grown nanowires whereas the MBE grown GaAs nanowires revealed the formation of a thick polycrystalline wetting layer at the interface. The CBE grown InP nanowires mostly maintained the honeycomb structure although they were found to be oriented contrary to the expected <111> direction. SEM analysis of GaAs nanowires grown by CBE showed that during growth, the nanowires may coalesce with each other resulting in unique structures such as bipods, tripods and multipods. High resolution TEM analysis of single GaAs nanowires revealed periodic formation of contrasting materials. Diffraction patterns recorded at these dark contrast areas confirmed the formation of hexagonal wurtzite single crystal structures interspaced with cubic zincblende single crystal structures. These nanowires can be used for photovoltaic applications or as light emitting devices. In addition, the formation of superlattices of different crystal structures can pave the way for novel quantum confined optoelectronic devices.

  11. Molecular Orientation in Quantasomes

    PubMed Central

    Sauer, Kenneth

    1965-01-01

    A new apparatus is described for measuring dichroism spectra with very high sensitivity for macromolecular structures oriented in a hydrodynamic gradient. The method has been used to explore the dichroism spectrum of quantasome aggregates isolated from spinach chloroplasts. The quantasome flow dichroism resembles qualitatively that observed previously using electric field orientation, in that a pigment absorbing at wavelengths longer than 680 mμ exhibits appreciably greater dichroism than those absorbing at shorter wavelengths. It is shown that the absorption oscillator for this long wavelength absorption lies parallel to the streamlines of the sheer gradient, which is assumed to be the direction in which the planes of the chloroplast lamellae are oriented. PMID:19431337

  12. Hybrid Ag nanowire transparent conductive electrodes with randomly oriented and grid-patterned Ag nanowire networks.

    PubMed

    Ha, Bonhee; Jo, Sungjin

    2017-09-14

    To improve the electrical properties of silver nanowire (Ag NW) transparent conductive electrodes (TCEs), the density of Ag NW networks should be increased, to increase the number of percolation paths. However, because of the inverse relationship between optical transmittance and electrical resistivity, the optical properties of Ag NW TCEs deteriorate with increasing density of the Ag NW network. In this study, a hybrid Ag NW electrode composed of randomly oriented and grid-patterned Ag NW networks is demonstrated. The hybrid Ag NW electrodes exhibit significantly improved sheet resistances and slightly decreased transmittances compared to randomly oriented Ag NW networks. Hybrid Ag NW TCEs show excellent mechanical flexibilities and durabilities in bending tests with a 5 mm radius of curvature. Moreover, flexible transparent film heaters (TFHs) based on the hybrid Ag NW electrodes show elevated maximum temperatures relative to TFHs based on randomly oriented Ag NW electrodes, when operated at the same input voltages.

  13. Ultrathin inorganic molecular nanowire based on polyoxometalates

    PubMed Central

    Zhang, Zhenxin; Murayama, Toru; Sadakane, Masahiro; Ariga, Hiroko; Yasuda, Nobuhiro; Sakaguchi, Norihito; Asakura, Kiyotaka; Ueda, Wataru

    2015-01-01

    The development of metal oxide-based molecular wires is important for fundamental research and potential practical applications. However, examples of these materials are rare. Here we report an all-inorganic transition metal oxide molecular wire prepared by disassembly of larger crystals. The wires are comprised of molybdenum(VI) with either tellurium(IV) or selenium(IV): {(NH4)2[XMo6O21]}n (X=tellurium(IV) or selenium(IV)). The ultrathin molecular nanowires with widths of 1.2 nm grow to micrometre-scale crystals and are characterized by single-crystal X-ray analysis, Rietveld analysis, scanning electron microscopy, X-ray photoelectron spectroscopy, ultraviolet–visible spectroscopy, thermal analysis and elemental analysis. The crystals can be disassembled into individual molecular wires through cation exchange and subsequent ultrasound treatment, as visualized by atomic force microscopy and transmission electron microscopy. The ultrathin molecular wire-based material exhibits high activity as an acid catalyst, and the band gap of the molecular wire-based crystal is tunable by heat treatment. PMID:26139011

  14. Gibbs–Thomson Effect in Planar Nanowires: Orientation and Doping Modulated Growth

    DOE PAGES

    Shen, Youde; Chen, Renjie; Yu, Xuechao; ...

    2016-06-02

    Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor–liquid–solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. In this paper, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs–Thomson mechanism, which has been known for the past decades to govern the correlations between thermodynamic supersaturation, growth speed, and nanowire morphology. Furthermore, the substrate orientation strongly influences the growth characteristics of epitaxial planar nanowires as opposed tomore » impact at only the initial nucleation stage in the growth of vertical nanowires. The rich nanowire morphology can be described by a surface-energy-dependent growth model within the Gibbs–Thomson framework, which is further modulated by the tin doping concentration. Our experiments also reveal that the cutoff nanowire diameter depends on the substrate orientation and decreases with increasing tin doping concentration. Finally, these results enable a deeper understanding and control over the growth of planar nanowires, and the insights will help advance the fabrication of self-assembled nanowire devices.« less

  15. Gibbs–Thomson Effect in Planar Nanowires: Orientation and Doping Modulated Growth

    SciTech Connect

    Shen, Youde; Chen, Renjie; Yu, Xuechao; Wang, Qijie; Jungjohann, Katherine L.; Dayeh, Shadi A.; Wu, Tom

    2016-06-02

    Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor–liquid–solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. In this paper, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs–Thomson mechanism, which has been known for the past decades to govern the correlations between thermodynamic supersaturation, growth speed, and nanowire morphology. Furthermore, the substrate orientation strongly influences the growth characteristics of epitaxial planar nanowires as opposed to impact at only the initial nucleation stage in the growth of vertical nanowires. The rich nanowire morphology can be described by a surface-energy-dependent growth model within the Gibbs–Thomson framework, which is further modulated by the tin doping concentration. Our experiments also reveal that the cutoff nanowire diameter depends on the substrate orientation and decreases with increasing tin doping concentration. Finally, these results enable a deeper understanding and control over the growth of planar nanowires, and the insights will help advance the fabrication of self-assembled nanowire devices.

  16. Gibbs–Thomson Effect in Planar Nanowires: Orientation and Doping Modulated Growth

    SciTech Connect

    Shen, Youde; Chen, Renjie; Yu, Xuechao; Wang, Qijie; Jungjohann, Katherine L.; Dayeh, Shadi A.; Wu, Tom

    2016-06-02

    Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor–liquid–solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. In this paper, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs–Thomson mechanism, which has been known for the past decades to govern the correlations between thermodynamic supersaturation, growth speed, and nanowire morphology. Furthermore, the substrate orientation strongly influences the growth characteristics of epitaxial planar nanowires as opposed to impact at only the initial nucleation stage in the growth of vertical nanowires. The rich nanowire morphology can be described by a surface-energy-dependent growth model within the Gibbs–Thomson framework, which is further modulated by the tin doping concentration. Our experiments also reveal that the cutoff nanowire diameter depends on the substrate orientation and decreases with increasing tin doping concentration. Finally, these results enable a deeper understanding and control over the growth of planar nanowires, and the insights will help advance the fabrication of self-assembled nanowire devices.

  17. Gibbs-Thomson Effect in Planar Nanowires: Orientation and Doping Modulated Growth.

    PubMed

    Shen, Youde; Chen, Renjie; Yu, Xuechao; Wang, Qijie; Jungjohann, Katherine L; Dayeh, Shadi A; Wu, Tom

    2016-07-13

    Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor-liquid-solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. Here, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs-Thomson mechanism, which has been known for the past decades to govern the correlations between thermodynamic supersaturation, growth speed, and nanowire morphology. Furthermore, the substrate orientation strongly influences the growth characteristics of epitaxial planar nanowires as opposed to impact at only the initial nucleation stage in the growth of vertical nanowires. The rich nanowire morphology can be described by a surface-energy-dependent growth model within the Gibbs-Thomson framework, which is further modulated by the tin doping concentration. Our experiments also reveal that the cutoff nanowire diameter depends on the substrate orientation and decreases with increasing tin doping concentration. These results enable a deeper understanding and control over the growth of planar nanowires, and the insights will help advance the fabrication of self-assembled nanowire devices.

  18. Conductive Nanowires Templated by Molecular Brushes.

    PubMed

    Raguzin, Ivan; Stamm, Manfred; Ionov, Leonid

    2015-10-21

    In this paper, we report the fabrication of conductive nanowires using polymer bottle brushes as templates. In our approach, we synthesized poly(2-dimethylamino)ethyl methacrylate methyl iodide quaternary salt brushes by two-step atom transfer radical polymerization, loaded them with palladium salt, and reduced them in order to form metallic nanowires with average lengths and widths of 300 and 20 nm, respectively. The obtained nanowires were deposited between conductive gold pads and were connected to them by sputtering of additional pads to form an electric circuit. We connected the nanowires in an electric circuit and demonstrated that the conductivity of these nanowires is around 100 S·m(-1).

  19. Nucleation, Growth, and Bundling of GaN Nanowires in Molecular Beam Epitaxy: Disentangling the Origin of Nanowire Coalescence.

    PubMed

    Kaganer, Vladimir M; Fernández-Garrido, Sergio; Dogan, Pinar; Sabelfeld, Karl K; Brandt, Oliver

    2016-06-08

    We investigate the nucleation, growth, and coalescence of spontaneously formed GaN nanowires in molecular beam epitaxy combining the statistical analysis of scanning electron micrographs with Monte Carlo growth models. We find that (i) the nanowire density is limited by the shadowing of the substrate from the impinging fluxes by already existing nanowires, (ii) shortly after the nucleation stage, nanowire radial growth becomes negligible, and (iii) coalescence is caused by bundling of nanowires. The latter phenomenon is driven by the gain of surface energy at the expense of the elastic energy of bending and becomes energetically favorable once the nanowires exceed a certain critical length.

  20. Modulation of fluorescence signals from biomolecules along nanowires due to interaction of light with oriented nanostructures.

    PubMed

    Frederiksen, Rune S; Alarcon-Llado, Esther; Madsen, Morten H; Rostgaard, Katrine R; Krogstrup, Peter; Vosch, Tom; Nygård, Jesper; Fontcuberta I Morral, Anna; Martinez, Karen L

    2015-01-14

    High aspect ratio nanostructures have gained increasing interest as highly sensitive platforms for biosensing. Here, well-defined biofunctionalized vertical indium arsenide nanowires are used to map the interaction of light with nanowires depending on their orientation and the excitation wavelength. We show how nanowires act as antennas modifying the light distribution and the emitted fluorescence. This work highlights an important optical phenomenon in quantitative fluorescence studies and constitutes an important step for future studies using such nanostructures.

  1. Orientational ordering of solution derived epitaxial Gd-doped ceria nanowires induced by nanoscratching

    NASA Astrophysics Data System (ADS)

    Zabaleta, Jone; Mestres, Narcis; Abellán, Patricia; Gibert, Marta; Sandiumenge, Felip; Puig, Teresa; Obradors, Xavier

    2010-01-01

    When one-dimensional nanostructures are epitaxially grown on a substrate a key goal is to control the nanowire's position and orientation. Nanoscratching of single crystalline (001)- LaAlO3 substrates is demonstrated to be extraordinarily effective in directing the self-assembly of Ce0.9Gd0.1O2-y epitaxial nanowires grown by chemical solution deposition. The local anisotropic elastic strain field imposed by the indentation lines is responsible for the breaking of the pre-existing orientation energy degeneracy and selects the nanowires' orientation parallel to the lines to an extent that can reach 100%.

  2. Graphene/Si-nanowire heterostructure molecular sensors

    PubMed Central

    Kim, Jungkil; Oh, Si Duk; Kim, Ju Hwan; Shin, Dong Hee; Kim, Sung; Choi, Suk-Ho

    2014-01-01

    Wafer-scale graphene/Si-nanowire (Si-NW) array heterostructures for molecular sensing have been fabricated by vertically contacting single-layer graphene with high-density Si NWs. Graphene is grown in large scale by chemical vapour deposition and Si NWs are vertically aligned by metal-assisted chemical etching of Si wafer. Graphene plays a key role in preventing tips of vertical Si NWs from being bundled, thereby making Si NWs stand on Si wafer separately from each other under graphene, a critical structural feature for the uniform Schottky-type junction between Si NWs and graphene. The molecular sensors respond very sensitively to gas molecules by showing 37 and 1280% resistance changes within 3.5/0.15 and 12/0.15 s response/recovery times under O2 and H2 exposures in air, respectively, highest performances ever reported. These results together with the sensor responses in vacuum are discussed based on the surface-transfer doping mechanism. PMID:24947403

  3. Diffusion-driven growth of nanowires by low-temperature molecular beam epitaxy

    SciTech Connect

    Rueda-Fonseca, P.; Orrù, M.; Bellet-Amalric, E.; Robin, E.; Den Hertog, M.; Genuist, Y.; André, R.; Tatarenko, S.; Cibert, J.

    2016-04-28

    With ZnTe as an example, we use two different methods to unravel the characteristics of the growth of nanowires (NWs) by gold-catalyzed molecular beam epitaxy at low temperature. In the first approach, CdTe insertions have been used as markers, and the nanowires have been characterized by scanning transmission electron microscopy, including geometrical phase analysis and energy dispersive electron spectrometry; the second approach uses scanning electron microscopy and the statistics of the relationship between the length of the tapered nanowires and their base diameter. Axial and radial growth are quantified using a diffusion-limited model adapted to the growth conditions; analytical expressions describe well the relationship between the NW length and the total molecular flux (taking into account the orientation of the effusion cells), and the catalyst-nanowire contact area. A long incubation time is observed. This analysis allows us to assess the evolution of the diffusion lengths on the substrate and along the nanowire sidewalls, as a function of temperature and deviation from stoichiometric flux.

  4. Ferromagnet-semiconductor nanowire coaxial heterostructures grown by molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    Hilse, M.; Takagaki, Y.; Herfort, J.; Ramsteiner, M.; Herrmann, C.; Breuer, S.; Geelhaar, L.; Riechert, H.

    2009-09-01

    GaAs-MnAs core-shell structures are grown by molecular-beam epitaxy using wurtzite GaAs nanowires on GaAs(111)B. The nanowire structures curve due to the strain at the heterointerface when the substrate is not rotated during the growth, evidencing the diffusion length in the MnAs overgrowth being less than the perimeter of the columns. The MnAs growth is thus demonstrated to take place by direct deposition on the sidewall. The MnAs envelope is m-plane-oriented with the c-axis along the nanowire axis. The magnetic easy axis hence lies in the surface plane of the substrate, which is confirmed by magnetization measurements and magnetic-force microscopy.

  5. Tensile testing of Fe and FeCr nanowires using molecular dynamics simulations

    SciTech Connect

    Byggmästar, J. Granberg, F.; Kuronen, A.; Nordlund, K.; Henriksson, K. O. E.

    2015-01-07

    Using molecular dynamics, we have studied the behaviour of cylindrical [001]-oriented Fe and FeCr nanowires under uniaxial tensile strain with both an embedded atom method (EAM) and a Tersoff-like bond order potential. The mechanical properties were analysed and the deformation mechanism was studied and compared between the potentials. The effects of chromium content and size of the wire were studied. Both potentials show elongation by deformation twinning in the 〈111〉/(211) system resulting in a significantly stiffer and stronger [110]-axial nanowire. The pure iron nanowires are elastically softer than bulk iron and an addition of chromium has both a softening and weakening effect. The bond order potential shows a strong dependence on chromium concentration, while the dependence is considerably weaker for the EAM potential.

  6. Onset of stacking faults in InP nanowires grown by gas source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Cornet, D. M.; Mazzetti, V. G. M.; LaPierre, R. R.

    2007-01-01

    InP nanowires (NWs) were grown by gas source molecular beam epitaxy on InP (111)B substrates, using Au nanoparticles as a growth catalyst. The rod-shaped NWs exhibited hexagonal sidewall facets oriented along the {-211} family of crystal planes for all NW diameters, indicating minimal sidewall growth. Stacking faults, when present, were concentrated near the NW tips, while NWs with lengths less than 300nm were completely free of stacking faults.

  7. Control of Crystal Orientation and Diameter of Silicon Nanowire Using Anodic Aluminum Oxide Template

    NASA Astrophysics Data System (ADS)

    Shimizu, Tomohiro; Inoue, Fumihiro; Wang, Chonge; Otsuka, Shintaro; Tada, Yoshihiro; Koto, Makoto; Shingubara, Shoso

    2013-06-01

    The control of the crystal orientation and diameter of vertically grown epitaxial Si nanowires was demonstrated using a combination of a vapor-liquid-solid (VLS) growth technique and the use of an anodic aluminum oxide (AAO) template on a single-crystal Si substrate. The [100], [110], and [111] nanowires were selectively obtained by choosing the Si substrate with appropriate crystal orientation. The diameter of a Si nanowire in the AAO template could be controlled by the modification of the pore size of the AAO template with anodic voltage during anodization.

  8. Enhanced photothermal conversion in vertically oriented gallium arsenide nanowire arrays.

    PubMed

    Walia, Jaspreet; Dhindsa, Navneet; Flannery, Jeremy; Khodabad, Iman; Forrest, James; LaPierre, Ray; Saini, Simarjeet S

    2014-10-08

    The photothermal properties of vertically etched gallium arsenide nanowire arrays are examined using Raman spectroscopy. The nanowires are arranged in square lattices with a constant pitch of 400 nm and diameters ranging from 50 to 155 nm. The arrays were illuminated using a 532 nm laser with an incident energy density of 10 W/mm(2). Nanowire temperatures were highly dependent on the nanowire diameter and were determined by measuring the spectral red-shift for both TO and LO phonons. The highest temperatures were observed for 95 nm diameter nanowires, whose top facets and sidewalls heated up to 600 and 440 K, respectively, and decreased significantly for the smaller or larger diameters studied. The diameter-dependent heating is explained by resonant coupling of the incident laser light into optical modes of the nanowires, resulting in increased absorption. Photothermal activity in a given nanowire diameter can be optimized by proper wavelength selection, as confirmed using computer simulations. This demonstrates that the photothermal properties of GaAs nanowires can be enhanced and tuned by using a photonic lattice structure and that smaller nanowire diameters are not necessarily better to achieve efficient photothermal conversion. The diameter and wavelength dependence of the optical coupling could allow for localized temperature gradients by creating arrays which consist of different diameters.

  9. Identifying and mapping the polytypes and orientation relationships in ZnO/CdSe core-shell nanowire arrays.

    PubMed

    Consonni, Vincent; Rapenne, Laetitia; Renou, Gilles; Roussel, Hervé; Gérard, Lionel; Cuscó, Ramón; Artús, Lluís; André, Régis; Rauch, Edgar F

    2016-09-30

    Identifying and mapping the crystalline phases and orientation relationships on the local scale in core-shell ZnO nanowire heterostructures are of primary importance to improve the interface quality, which governs the performances of the nanoscale devices. However, this represents a major difficulty, especially when the expected polytypes exhibit very similar properties as in the case of CdSe. In the present work, we address that issue in ZnO nanowire heterostructures involving a uniform and highly conformal CdSe shell grown by molecular beam epitaxy. It is shown by x-ray diffraction and Raman spectroscopy through the occurrence of the (101̄0) and (101̄1) diffraction peaks and of the [Formula: see text] mode at 34 cm(-1), respectively, that the CdSe shell is mostly crystallized into the wurtzite phase. By using automated crystal phase and orientation mapping with precession (ASTAR) in a transmission electron microscope and thus by benefiting from highly precise electron diffraction patterns, the CdSe shell is found to crystallize also into the minority zinc blende phase. The wurtzite CdSe shell is epitaxially grown on the top of ZnO nanowires, and some specific orientation relationships are mapped and revealed when grown on their vertical sidewalls. Zinc blende CdSe domains are also formed exclusively in the center of wurtzite CdSe grains located on the vertical sidewalls; both wurtzite and zinc blende CdSe crystalline phases have a strong orientation relationship. These findings reveal that ASTAR is a powerful technique to elucidate the structural properties on the local scale and to gain a deeper insight into their crystalline phases and orientation relationships, which is highly promising for many types of semiconducting nanowire heterostructures.

  10. Identifying and mapping the polytypes and orientation relationships in ZnO/CdSe core-shell nanowire arrays

    NASA Astrophysics Data System (ADS)

    Consonni, Vincent; Rapenne, Laetitia; Renou, Gilles; Roussel, Hervé; Gérard, Lionel; Cuscó, Ramón; Artús, Lluís; André, Régis; Rauch, Edgar F.

    2016-11-01

    Identifying and mapping the crystalline phases and orientation relationships on the local scale in core-shell ZnO nanowire heterostructures are of primary importance to improve the interface quality, which governs the performances of the nanoscale devices. However, this represents a major difficulty, especially when the expected polytypes exhibit very similar properties as in the case of CdSe. In the present work, we address that issue in ZnO nanowire heterostructures involving a uniform and highly conformal CdSe shell grown by molecular beam epitaxy. It is shown by x-ray diffraction and Raman spectroscopy through the occurrence of the (101¯0) and (101¯1) diffraction peaks and of the {{{{E}}}2}{{low}} mode at 34 cm-1, respectively, that the CdSe shell is mostly crystallized into the wurtzite phase. By using automated crystal phase and orientation mapping with precession (ASTAR) in a transmission electron microscope and thus by benefiting from highly precise electron diffraction patterns, the CdSe shell is found to crystallize also into the minority zinc blende phase. The wurtzite CdSe shell is epitaxially grown on the top of ZnO nanowires, and some specific orientation relationships are mapped and revealed when grown on their vertical sidewalls. Zinc blende CdSe domains are also formed exclusively in the center of wurtzite CdSe grains located on the vertical sidewalls; both wurtzite and zinc blende CdSe crystalline phases have a strong orientation relationship. These findings reveal that ASTAR is a powerful technique to elucidate the structural properties on the local scale and to gain a deeper insight into their crystalline phases and orientation relationships, which is highly promising for many types of semiconducting nanowire heterostructures.

  11. Electro-orientation of a metal nanowire counterbalanced by thermal torques.

    PubMed

    Arcenegui, Juan J; García-Sánchez, Pablo; Morgan, Hywel; Ramos, Antonio

    2014-06-01

    The rotational diffusion of electrically polarized metal nanowires suspended in an electrolyte is studied. The alignment of a Brownian nanowire in an ac field with a given direction is not complete due to thermal (fluctuating) torques. The orientation distribution allows us to examine the electrokinetic torques acting on the nanowire for smaller voltages than in previous deterministic experiments. In addition, the torques are obtained without recurring to the rotational friction coefficient as in dynamic deterministic experiments. The present results are in accordance with previous deterministic results of electro-orientation of metal nanowires. Nanowire rotation is originated by both the electrical torque on the induced dipole and by induced-charge electro-osmotic flow around the particle. At low frequencies of the applied ac field, induced-charge electro-osmotic orientation dominates while induced dipole torque orientation dominates at high frequencies. The angular standard deviation and the rotational rate are calculated from the measured fluctuating angle as a function of time, and good agreement with theoretical predictions is found. The experiments at high frequency indicate that the electrical torque on a nanowire near an insulating wall is reduced with respect to the bulk.

  12. GaN nanowires with pentagon shape cross-section by ammonia-source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Lin, Yong; Leung, Benjamin; Li, Qiming; Figiel, Jeffrey. J.; Wang, George T.

    2015-10-01

    Ammonia-based molecular beam epitaxy (NH3-MBE) was used to grow catalyst-assisted GaN nanowires on (1 1 bar 02) r-plane sapphire substrates. Dislocation free [ 11 2 bar 0 ] oriented nanowires are formed with pentagon shape cross-section, instead of the usual triangular shape facet configuration. Specifically, the cross-section is the result of the additional two nonpolar { 10 1 bar 0 } side facets, which appear due to a decrease in relative growth rate of the { 10 1 bar 0 } facets to the { 10 1 bar 1 } and { 10 1 bar 1 } facets under the growth regime in NH3-MBE. Compared to GaN nanowires grown by Ni-catalyzed metal-organic chemical vapor deposition, the NH3-MBE grown GaN nanowires show more than an order of magnitude increase in band-edge to yellow luminescence intensity ratio, as measured by cathodoluminescence, indicating improved microstructural and optical properties.

  13. Crystal Phase- and Orientation-Dependent Electrical Transport Properties of InAs Nanowires.

    PubMed

    Fu, Mengqi; Tang, Zhiqiang; Li, Xing; Ning, Zhiyuan; Pan, Dong; Zhao, Jianhua; Wei, Xianlong; Chen, Qing

    2016-04-13

    We report a systematic study on the correlation of the electrical transport properties with the crystal phase and orientation of single-crystal InAs nanowires (NWs) grown by molecular-beam epitaxy. A new method is developed to allow the same InAs NW to be used for both the electrical measurements and transmission electron microscopy characterization. We find both the crystal phase, wurtzite (WZ) or zinc-blende (ZB), and the orientation of the InAs NWs remarkably affect the electronic properties of the field-effect transistors based on these NWs, such as the threshold voltage (VT), ON-OFF ratio, subthreshold swing (SS) and effective barrier height at the off-state (ΦOFF). The SS increases while VT, ON-OFF ratio, and ΦOFF decrease one by one in the sequence of WZ ⟨0001⟩, ZB ⟨131⟩, ZB ⟨332⟩, ZB ⟨121⟩, and ZB ⟨011⟩. The WZ InAs NWs have obvious smaller field-effect mobility, conductivities, and electron concentration at VBG = 0 V than the ZB InAs NWs, while these parameters are not sensitive to the orientation of the ZB InAs NWs. We also find the diameter ranging from 12 to 33 nm shows much less effect than the crystal phase and orientation on the electrical transport properties of the InAs NWs. The good ohmic contact between InAs NWs and metal remains regardless of the variation of the crystal phase and orientation through temperature-dependent measurements. Our work deepens the understanding of the structure-dependent electrical transport properties of InAs NWs and provides a potential way to tailor the device properties by controlling the crystal phase and orientation of the NWs.

  14. Morphology- and orientation-controlled gallium arsenide nanowires on silicon substrates.

    PubMed

    Ihn, Soo-Ghang; Song, Jong-In; Kim, Tae-Wook; Leem, Dong-Seok; Lee, Takhee; Lee, Sang-Geul; Koh, Eui Kwan; Song, Kyung

    2007-01-01

    GaAs nanowires were epitaxially grown on Si(001) and Si(111) substrates by using Au-catalyzed vapor-liquid-solid (VLS) growth in a solid source molecular beam epitaxy system. Scanning electron microscopy analysis revealed that almost all the GaAs nanowires were grown along <111> directions on both Si substrates for growth conditions investigated. The GaAs nanowires had a very uniform diameter along the growth direction. X-ray diffraction data and transmission electron microscopy analysis revealed that the GaAs<111> nanowires had a mixed crystal structure of the hexagonal wurtzite and the cubic zinc-blende. Current-voltage characteristics of junctions formed by the epitaxially grown GaAs nanowires and the Si substrate were investigated by using a current-sensing atomic force microscopy.

  15. Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao; Gao, Fei; Weber, William J.; Crocombette, J.-P.

    2007-04-16

    The thermal conductivity of GaN nanowires has been determined computationally, by applying nonequilibrium atomistic simulation methods using the Stillinger-Weber [Phys. Rev. B 31, 5262 (1985)] potentials. The simulation results show that the thermal conductivity of the GaN nanowires is smaller than that of a bulk crystal and increases with increasing diameter. Surface scattering of phonons and the high surface to volume ratios of the nanowires are primarily responsible for the reduced thermal conductivity and its size dependence behavior. The thermal conductivity is also found to decrease with increasing temperature, which is due to phonon-phonon interactions at high temperatures. The thermal conductivity also exhibits a dependence on axial orientation of the nanowires.

  16. Electrical properties of nominally undoped silicon nanowires grown by molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    Bauer, Jan; Fleischer, Frank; Breitenstein, Otwin; Schubert, Luise; Werner, Peter; Gösele, Ulrich; Zacharias, Margit

    2007-01-01

    Single undoped Si nanowires were electrically characterized. The nanowires were grown by molecular-beam epitaxy on n+ silicon substrates and were contacted by platinum/iridium tips. I-V curves were measured and electron beam induced current investigations were performed on single nanowires. It was found that the nanowires have an apparent resistivity of 0.85Ωcm, which is much smaller than expected for undoped Si nanowires. The conductance is explained by hopping conductivity at the Si -SiO2 interface of the nanowire surface.

  17. Growth behaviors of ultrathin ZnSe nanowires by Au-catalyzed molecular-beam epitaxy

    SciTech Connect

    Cai, Y.; Wong, T. L.; Chan, S. K.; Sou, I. K.; Wang, N.; Su, D. S.

    2008-12-08

    Ultrathin ZnSe nanowires grown by Au-catalyzed molecular-beam epitaxy show an interesting growth behavior of diameter dependence of growth rates. The smaller the nanowire diameter, the faster is its growth rate. This growth behavior is totally different from that of the nanowires with diameters greater than 60 nm and cannot be interpreted by the classical theories of the vapor-liquid-solid mechanism. For the Au-catalyzed nanowire growth at low temperatures, we found that the surface and interface incorporation and diffusion of the source atoms at the nanowire tips controlled the growth of ultrathin ZnSe nanowires.

  18. Ultrahigh density array of vertically aligned small-molecular organic nanowires on arbitrary substrates.

    PubMed

    Starko-Bowes, Ryan; Pramanik, Sandipan

    2013-06-18

    In recent years π-conjugated organic semiconductors have emerged as the active material in a number of diverse applications including large-area, low-cost displays, photovoltaics, printable and flexible electronics and organic spin valves. Organics allow (a) low-cost, low-temperature processing and (b) molecular-level design of electronic, optical and spin transport characteristics. Such features are not readily available for mainstream inorganic semiconductors, which have enabled organics to carve a niche in the silicon-dominated electronics market. The first generation of organic-based devices has focused on thin film geometries, grown by physical vapor deposition or solution processing. However, it has been realized that organic nanostructures can be used to enhance performance of above-mentioned applications and significant effort has been invested in exploring methods for organic nanostructure fabrication. A particularly interesting class of organic nanostructures is the one in which vertically oriented organic nanowires, nanorods or nanotubes are organized in a well-regimented, high-density array. Such structures are highly versatile and are ideal morphological architectures for various applications such as chemical sensors, split-dipole nanoantennas, photovoltaic devices with radially heterostructured "core-shell" nanowires, and memory devices with a cross-point geometry. Such architecture is generally realized by a template-directed approach. In the past this method has been used to grow metal and inorganic semiconductor nanowire arrays. More recently π-conjugated polymer nanowires have been grown within nanoporous templates. However, these approaches have had limited success in growing nanowires of technologically important π-conjugated small molecular weight organics, such as tris-8-hydroxyquinoline aluminum (Alq3), rubrene and methanofullerenes, which are commonly used in diverse areas including organic displays, photovoltaics, thin film transistors

  19. Ultrahigh Density Array of Vertically Aligned Small-molecular Organic Nanowires on Arbitrary Substrates

    PubMed Central

    Starko-Bowes, Ryan; Pramanik, Sandipan

    2013-01-01

    In recent years π-conjugated organic semiconductors have emerged as the active material in a number of diverse applications including large-area, low-cost displays, photovoltaics, printable and flexible electronics and organic spin valves. Organics allow (a) low-cost, low-temperature processing and (b) molecular-level design of electronic, optical and spin transport characteristics. Such features are not readily available for mainstream inorganic semiconductors, which have enabled organics to carve a niche in the silicon-dominated electronics market. The first generation of organic-based devices has focused on thin film geometries, grown by physical vapor deposition or solution processing. However, it has been realized that organic nanostructures can be used to enhance performance of above-mentioned applications and significant effort has been invested in exploring methods for organic nanostructure fabrication. A particularly interesting class of organic nanostructures is the one in which vertically oriented organic nanowires, nanorods or nanotubes are organized in a well-regimented, high-density array. Such structures are highly versatile and are ideal morphological architectures for various applications such as chemical sensors, split-dipole nanoantennas, photovoltaic devices with radially heterostructured "core-shell" nanowires, and memory devices with a cross-point geometry. Such architecture is generally realized by a template-directed approach. In the past this method has been used to grow metal and inorganic semiconductor nanowire arrays. More recently π-conjugated polymer nanowires have been grown within nanoporous templates. However, these approaches have had limited success in growing nanowires of technologically important π-conjugated small molecular weight organics, such as tris-8-hydroxyquinoline aluminum (Alq3), rubrene and methanofullerenes, which are commonly used in diverse areas including organic displays, photovoltaics, thin film transistors

  20. A comparative study of absorption in vertically and laterally oriented InP core-shell nanowire photovoltaic devices.

    PubMed

    Nowzari, Ali; Heurlin, Magnus; Jain, Vishal; Storm, Kristian; Hosseinnia, Ali; Anttu, Nicklas; Borgström, Magnus T; Pettersson, Håkan; Samuelson, Lars

    2015-03-11

    We have compared the absorption in InP core-shell nanowire p-i-n junctions in lateral and vertical orientation. Arrays of vertical core-shell nanowires with 400 nm pitch and 280 nm diameter, as well as corresponding lateral single core-shell nanowires, were configured as photovoltaic devices. The photovoltaic characteristics of the samples, measured under 1 sun illumination, showed a higher absorption in lateral single nanowires compared to that in individual vertical nanowires, arranged in arrays with 400 nm pitch. Electromagnetic modeling of the structures confirmed the experimental observations and showed that the absorption in a vertical nanowire in an array depends strongly on the array pitch. The modeling demonstrated that, depending on the array pitch, absorption in a vertical nanowire can be lower or higher than that in a lateral nanowire with equal absorption predicted at a pitch of 510 nm for our nanowire geometry. The technology described in this Letter facilitates quantitative comparison of absorption in laterally and vertically oriented core-shell nanowire p-i-n junctions and can aid in the design, optimization, and performance evaluation of nanowire-based core-shell photovoltaic devices.

  1. The electronic structure of ultrathin [111]-oriented tin nanowire with hydrogen passivation

    NASA Astrophysics Data System (ADS)

    Noviani, Elisabeth Pratidhina Founda

    2017-08-01

    As a consequence of quantum confinement effect, the band gaps of nanowires are usually larger than its bulk counterpart. In this research, we study the electronic structures of [111]-oriented tin nanowires (Sn NWs) passivated with hydrogen atoms using density functional theory. Bulk Sn is known as a semimetal material with zero band gap, however the band gap is opened when tin nanowire is constructed e.g. the band gap of SnNW with diameter about 1.4 nm is 1.54 eV. The electronic structure of [111]-oriented SnNW under strain is also investigated. In the absence of strain, SnNWs have direct band gap, however under strain, direct-to-indirect band gap transition is observed. The critical strain for direct-to-indirect band gap transition is varied for various diameter of SnNWs. It is found that both tensile and compressive strain reduces the band gap.

  2. Novel synthetic methodology for controlling the orientation of zinc oxide nanowires grown on silicon oxide substrates

    NASA Astrophysics Data System (ADS)

    Cho, Jinhyun; Salleh, Najah; Blanco, Carlos; Yang, Sungwoo; Lee, Chul-Jin; Kim, Young-Woo; Kim, Jungsang; Liu, Jie

    2014-03-01

    This study presents a simple method to reproducibly obtain well-aligned vertical ZnO nanowire arrays on silicon oxide (SiOx) substrates using seed crystals made from a mixture of ammonium hydroxide (NH4OH) and zinc acetate (Zn(O2CCH3)2) solution. In comparison, high levels of OH- concentration obtained using NaOH or KOH solutions lead to incorporation of Na or K atoms into the seed crystals, destroying the c-axis alignment of the seeds and resulting in the growth of misaligned nanowires. The use of NH4OH eliminates the metallic impurities and ensures aligned nanowire growth in a wide range of OH- concentrations in the seed solution. The difference of crystalline orientations between NH4OH- and NaOH-based seeds is directly observed by lattice-resolved images and electron diffraction patterns using a transmission electron microscope (TEM). This study obviously suggests that metallic impurities incorporated into the ZnO nanocrystal seeds are one of the factors that generates the misaligned ZnO nanowires. This method also enables the use of silicon oxide substrates for the growth of vertically aligned nanowires, making ZnO nanostructures compatible with widely used silicon fabrication technology.This study presents a simple method to reproducibly obtain well-aligned vertical ZnO nanowire arrays on silicon oxide (SiOx) substrates using seed crystals made from a mixture of ammonium hydroxide (NH4OH) and zinc acetate (Zn(O2CCH3)2) solution. In comparison, high levels of OH- concentration obtained using NaOH or KOH solutions lead to incorporation of Na or K atoms into the seed crystals, destroying the c-axis alignment of the seeds and resulting in the growth of misaligned nanowires. The use of NH4OH eliminates the metallic impurities and ensures aligned nanowire growth in a wide range of OH- concentrations in the seed solution. The difference of crystalline orientations between NH4OH- and NaOH-based seeds is directly observed by lattice-resolved images and electron

  3. Orientation-enhanced growth and optical properties of ZnO nanowires grown on porous silicon substrates.

    PubMed

    Hsu, Hsu-Cheng; Cheng, Ching-Sheng; Chang, Chia-Chieh; Yang, Song; Chang, Chen-Shiung; Hsieh, Wen-Feng

    2005-02-01

    ZnO nanowires have been synthesized on porous silicon substrates with different porosities via the vapour-liquid-solid method. The texture coefficient analysed from the XRD spectra indicates that the nanowires are more highly orientated on the appropriate porosity of porous silicon substrate than on the smooth surface of silicon. The Raman spectrum reveals the high quality of the ZnO nanowires. From the temperature-dependent photoluminescence spectra, we deduced the activation energies of free and bound excitons.

  4. Silicon nanowires and silicon/molecular interfaces for nanoscale electronics

    NASA Astrophysics Data System (ADS)

    Sheriff, Bonnie Ann

    This thesis describes the utilization of silicon nanowires and molecular films towards the realization of nanoscale electronics. The key enabling technology is the method in which the silicon nanowires are produced---the superlattice nanowire pattern transfer (SNAP) method. The SNAP method allows for the simultaneous formation and alignment of metal or semiconducting nanowires using a template-mediated approach. High-performance n- and p-type silicon nanowire field-effect transistors (FETs) were demonstrated. These FETs exhibited consistent performance and strong performance metrics such as high on/off ratios, high on-currents, high mobilities and low subthreshold swings. Due to the nanowire's large surface-area-to-volume ratio, surface states were shown to dominate performance, especially for the n-type FETs. Reducing the number of surface states improved performance significantly. N- and p-type silicon nanowire FETs were integrated into complementary symmetry (CS) logic circuits. This required the development of a pattern doping technique that allowed for spatial control of doped regions. The inverter circuit was fabricated and tested. A gain of ˜ 5 was consistently measured from 7 working inverter circuits. This demonstration provided the foundation for the eventual fabrication and characterization of the other Boolean logic functions. A methodology was developed that optimizes the design of high-performance logic circuits constructed from Si NW p- and n-type FETs. Circuit performance can be predicted from individual fabricated NW FETs before prototype circuits are manufactured, resulting in a faster and more efficient design process. These results suggest design options for fabricating high performance NW circuits, which can then be implemented experimentally. The effectiveness of this methodology is shown by optimizing the gain of Si NW complementary symmetry inverter from an initially measured value of 8 to a gain of 45. Lastly, methods to covalently attach

  5. Diameter- and current-density-dependent growth orientation of hexagonal CdSe nanowire arrays via electrodeposition.

    PubMed

    Sun, Hongyu; Li, Xiaohong; Chen, Yan; Guo, Defeng; Xie, Yanwu; Li, Wei; Liu, Baoting; Zhang, Xiangyi

    2009-10-21

    Controlling the growth orientation of semiconductor nanowire arrays is of vital importance for their applications in the fields of nanodevices. In the present work, hexagonal CdSe nanowire arrays with various preferential growth orientations have been successfully yielded by employing the electrodeposition technique using porous alumina as templates (PATs). We demonstrate by experimental and theoretical efforts that the growth orientation of the CdSe nanowires can be effectively manipulated by varying either the nanopore diameter of the PATs or the deposited current density, which has significant effects on the optical properties of the CdSe nanowires. The present study provides an alternative approach to tuning the growth direction of electrodeposited nanowires and thus is of importance for the fabrication of nanodevices with controlled functional properties.

  6. Diameter- and current-density-dependent growth orientation of hexagonal CdSe nanowire arrays via electrodeposition

    NASA Astrophysics Data System (ADS)

    Sun, Hongyu; Li, Xiaohong; Chen, Yan; Guo, Defeng; Xie, Yanwu; Li, Wei; Liu, Baoting; Zhang, Xiangyi

    2009-10-01

    Controlling the growth orientation of semiconductor nanowire arrays is of vital importance for their applications in the fields of nanodevices. In the present work, hexagonal CdSe nanowire arrays with various preferential growth orientations have been successfully yielded by employing the electrodeposition technique using porous alumina as templates (PATs). We demonstrate by experimental and theoretical efforts that the growth orientation of the CdSe nanowires can be effectively manipulated by varying either the nanopore diameter of the PATs or the deposited current density, which has significant effects on the optical properties of the CdSe nanowires. The present study provides an alternative approach to tuning the growth direction of electrodeposited nanowires and thus is of importance for the fabrication of nanodevices with controlled functional properties.

  7. Controlled Growth of Parallel Oriented ZnO Nanostructural Arrays on Ga2O3 Nanowires

    DTIC Science & Technology

    2008-11-01

    Controlled Growth of Parallel Oriented ZnO Nanostructural Arrays on Ga2O3 Nanowires Lena Mazeina,* Yoosuf N. Picard, and Sharka M. Prokes Electronics...Manuscript ReceiVed NoVember 6, 2008 ABSTRACT: Novel hierarchical ZnO- Ga2O3 nanostructures were fabricated via a two stage growth process. Nanowires of Ga2O3 ...nanobrushes (NBs) with Ga2O3 as the core and ZnO as the branches self-assembling symmetrically in six equiangular directions around the core

  8. Origin of collision-induced molecular orientation.

    PubMed

    Brouard, M; Hornung, B; Aoiz, F J

    2013-11-01

    Collision-induced rotational angular momentum orientation is a fundamental property of molecular scattering, which is sensitive to the balance between attractive and repulsive forces at play during collision. Here, we quantify a new mechanism leading to orientation, which is purely quantum mechanical in origin. Although the new mechanism is quite general, and will operate more widely in atomic and molecular scattering, it is observed here for impulsive hard shell collisions, for which the orientation vanishes classically. The quantum mechanism can thus be studied in isolation from other processes. The orientation is proposed to originate from the nonlocal nature of the quantum mechanical collision encounter.

  9. Molecular Dynamics Simulation of FCC Metallic Nanowires: A Review

    NASA Astrophysics Data System (ADS)

    Lao, Jijun; Naghdi Tam, Mehdi; Pinisetty, Dinesh; Gupta, Nikhil

    2013-02-01

    Molecular dynamic simulation studies are reviewed to understand the influence of strain rate, temperature, and cross-section size on the mechanical properties of face-centered cubic (FCC) metallic nanowires (MNWs). The yield stress of FCC MNWs is found to be 100 times higher than that of the corresponding bulk metals. The yield strain and fracture stress of MNWs are also found to be significantly higher compared with those of the bulk metals. The influence of deformation mechanisms (slip and twinning) on the mechanical properties of FCC MNWs is discussed. FCC MNWs are found to exhibit novel structural reorientation, phase transformation, elastic recovery, pseudoelasticity, and shape memory effect. MNWs with body-centered cubic (BCC) and hexagonal closed-packed crystal structures are compared with the FCC MNWs. Pseudoelasticity was also observed in BCC MNWs similar to that of FCC MNWs. Dense nano-twin arrays were found in Mg nanowires despite the high twin boundary energy.

  10. Orientation-Dependent Exciton-Plasmon Coupling in Embedded Organic/Metal Nanowire Heterostructures.

    PubMed

    Li, Yong Jun; Hong, Yan; Peng, Qian; Yao, Jiannian; Zhao, Yong Sheng

    2017-09-22

    The excitation of surface plasmons by optical emitters based on exciton-plasmon coupling is important for plasmonic devices with active optical properties. It has been theoretically demonstrated that the orientation of exciton dipole can significantly influence the coupling strength, yet systematic study of the coupling process in nanostructures is still hindered by the lack of proper material systems. In this work, we have experimentally investigated the orientation-dependent exciton-plasmon coupling in a rationally designed organic/metal nanowire heterostructure system. The heterostructures were prepared by inserting silver nanowires into crystalline organic waveguides during the self-assembly of dye molecules. Structures with different exciton orientations exhibited varying coupling efficiencies. The near-field exciton-plasmon coupling facilitates the design of nanophotonic devices based on the directional surface plasmon polariton propagations.

  11. Defect-free thin InAs nanowires grown using molecular beam epitaxy.

    PubMed

    Zhang, Zhi; Chen, Ping-Ping; Lu, Wei; Zou, Jin

    2016-01-21

    In this study, we designed a simple method to achieve the growth of defect-free thin InAs nanowires with a lateral dimension well below their Bohr radius on different substrate orientations. By depositing and annealing a thin layer of Au thin film on a (100) substrate surface, we have achieved the growth of defect-free uniform-sized thin InAs nanowires. This study provides a strategy to achieve the growth of pure defect-free thin nanowires.

  12. Molecular rectification in oriented polymers

    NASA Astrophysics Data System (ADS)

    Sentein, C.; Fiorini, C.; Lorin, A.; Nunzi, J.-M.; Sicot, L.

    1998-06-01

    We underline the intrinsic rectifying nature of an oriented polymeric material. Orientation of the initially symmetric structure is performed through DC-field ordering of the polar molecules contained in the polymer. The internal field induced in the polymeric material is evidenced by the induction of a rectifying current-voltage characteristic. Our preparation technique opens a new route for the improvement of organic-semiconductor devices efficiency. Nous soulignons la nature intrinsèquement rectifiante d'un polymère orienté. L'orientation moléculaire est induite par polarisation sous champ permanent. Le champ interne piégé dans le matériau induit une rectification de la caractéristique courant tension. Notre technique de préparation ouvre une voie nouvelle pour l'amélioration des performances des dispositifs semiconducteurs organiques.

  13. Observation of 'hidden' planar defects in boron carbide nanowires and identification of their orientations.

    PubMed

    Guan, Zhe; Cao, Baobao; Yang, Yang; Jiang, Youfei; Li, Deyu; Xu, Terry T

    2014-01-15

    The physical properties of nanostructures strongly depend on their structures, and planar defects in particular could significantly affect the behavior of the nanowires. In this work, planar defects (twins or stacking faults) in boron carbide nanowires are extensively studied by transmission electron microscopy (TEM). Results show that these defects can easily be invisible, i.e., no presence of characteristic defect features like modulated contrast in high-resolution TEM images and streaks in diffraction patterns. The simplified reason of this invisibility is that the viewing direction during TEM examination is not parallel to the (001)-type planar defects. Due to the unique rhombohedral structure of boron carbide, planar defects are only distinctive when the viewing direction is along the axial or short diagonal directions ([100], [010], or 1¯10) within the (001) plane (in-zone condition). However, in most cases, these three characteristic directions are not parallel to the viewing direction when boron carbide nanowires are randomly dispersed on TEM grids. To identify fault orientations (transverse faults or axial faults) of those nanowires whose planar defects are not revealed by TEM, a new approach is developed based on the geometrical analysis between the projected preferred growth direction of a nanowire and specific diffraction spots from diffraction patterns recorded along the axial or short diagonal directions out of the (001) plane (off-zone condition). The approach greatly alleviates tedious TEM examination of the nanowire and helps to establish the reliable structure-property relations. Our study calls attention to researchers to be extremely careful when studying nanowires with potential planar defects by TEM. Understanding the true nature of planar defects is essential in tuning the properties of these nanostructures through manipulating their structures.

  14. Reconfigurable Positioning of Vertically-Oriented Nanowires Around Topographical Features in an AC Electric Field.

    PubMed

    Boehm, Sarah J; Lin, Lan; Brljak, Nermina; Famularo, Nicole R; Mayer, Theresa S; Keating, Christine D

    2017-10-03

    We report the effect of topographical features on gold nanowire assemblies in a vertically applied AC electric field. Nanowires 300 nm in diameter ×2.5 μm long, and coated with ∼30 nm silica shell, were assembled in aqueous solution between top and bottom electrodes, where the bottom electrode was patterned with cylindrical dielectric posts. Assemblies were monitored in real time using optical microscopy. Dielectrophoretic and electrohydrodynamic forces were manipulated through frequency and voltage variation, organizing nanowires parallel to the field lines, i.e., standing perpendicular to the substrate surface. Field gradients around the posts were simulated and assembly behavior was experimentally evaluated as a function of patterned feature diameter and spacing. The electric field gradient was highest around these topographic features, which resulted in accumulation of vertically oriented nanowires around the post perimeters when dielectrophoresis dominated (high AC frequency) or between the posts when electrohydrodynamics dominated (low AC frequency). This general type of reconfigurable assembly, coupled with judicious choice of nanowire and post materials/dimensions, could ultimately enable new types of optical materials capable of switching between two functional states by changing the applied field conditions.

  15. Magnetic and electronic properties of porphyrin-based molecular nanowires

    NASA Astrophysics Data System (ADS)

    Zheng, Jia-Jia; Li, Qiao-Zhi; Dang, Jing-Shuang; Wang, Wei-Wei; Zhao, Xiang

    2016-01-01

    Using spin-polarized density functional theory calculations, we performed theoretical investigations on the electronic and magnetic properties of transition metal embedded porphyrin-based nanowires (TM-PNWs, TM = Cr, Mn, Co, Ni, Cu, and Zn). Our results indicate that Ni-PNW and Zn-PNW are nonmagnetic while the rest species are magnetic, and the magnetic moments in TM-PNWs and their corresponding isolated monomer structures are found to be the same. In addition, the spin coupling in the magnetic nanowires can be ignored leading to their degenerate AFM and FM states. These results can be ascribed to the weak intermetallic interactions because of the relatively large distances between neighbor TM atoms. Among all TM-PNW structures considered here, only Mn-PNW shows a half-metallic property while the others are predicted to be semiconducting. The present work paves a new way of obtaining ferromagnetic porphyrin-based nanowires with TM atoms distributed separately and orderly, which are expected to be good candidates for catalysts, energy storage and molecular spintronics.

  16. Nanojoining of crossed Ag nanowires: a molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Cui, Jianlei; Wang, Xuewen; Barayavuga, Theogene; Mei, Xuesong; Wang, Wenjun; He, Xiaoqiao

    2016-07-01

    Ag nanowires are considered to be the promising candidates for future electronic circuit owing to the excellent electrical and thermal properties, with the miniaturization of electronics devices into nanometer scale. Though interconnect technology between Ag nanowires (Ag NWs) is essential for nanofunctional devices, it lacks sufficient experimental data. Besides, the determination of Ag NW interconnection configuration is experimentally difficult to do for lacking the sufficient investigation of atomic configuration evolution during nanojoining process. So the nanojoining between the crossed Ag NWs with the same diameter of 2 nm and different lengths was performed by molecular dynamics simulation to explain the unclear nanojoining mechanism based on thermal effect. As the simulation results present, when the nanojoining temperature is relatively high, though the Ag NWs are connected with the interpenetration effect of Ag atoms at the crossed nanojunction area, the nanostructures of Ag NWs have been seriously deformed with shorter length and larger diameter, showing relatively more obvious melting characteristics based on the chaotic atomic structures. If the temperature is reduced to 300 K as cold welding, the crossed Ag NWs can be partially contacted with the partial mixture of Ag atoms, and the interstices always exist between the Si surface and the upper Ag nanowire. In addition, the obvious dislocation phenomenon will appear and evolve as time goes on. Consequently, the dominant mechanism was revealed for providing a fundamental understanding of how `hot' and `cold' welding technology affects the atomic contact configuration, respectively.

  17. Magnetic and electronic properties of porphyrin-based molecular nanowires

    SciTech Connect

    Zheng, Jia-Jia; Li, Qiao-Zhi; Dang, Jing-Shuang; Zhao, Xiang; Wang, Wei-Wei

    2016-01-15

    Using spin-polarized density functional theory calculations, we performed theoretical investigations on the electronic and magnetic properties of transition metal embedded porphyrin-based nanowires (TM-PNWs, TM = Cr, Mn, Co, Ni, Cu, and Zn). Our results indicate that Ni-PNW and Zn-PNW are nonmagnetic while the rest species are magnetic, and the magnetic moments in TM-PNWs and their corresponding isolated monomer structures are found to be the same. In addition, the spin coupling in the magnetic nanowires can be ignored leading to their degenerate AFM and FM states. These results can be ascribed to the weak intermetallic interactions because of the relatively large distances between neighbor TM atoms. Among all TM-PNW structures considered here, only Mn-PNW shows a half-metallic property while the others are predicted to be semiconducting. The present work paves a new way of obtaining ferromagnetic porphyrin-based nanowires with TM atoms distributed separately and orderly, which are expected to be good candidates for catalysts, energy storage and molecular spintronics.

  18. Rigorous theory of molecular orientational nonlinear optics

    SciTech Connect

    Kwak, Chong Hoon Kim, Gun Yeup

    2015-01-15

    Classical statistical mechanics of the molecular optics theory proposed by Buckingham [A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. A 68, 905 (1955)] has been extended to describe the field induced molecular orientational polarization effects on nonlinear optics. In this paper, we present the generalized molecular orientational nonlinear optical processes (MONLO) through the calculation of the classical orientational averaging using the Boltzmann type time-averaged orientational interaction energy in the randomly oriented molecular system under the influence of applied electric fields. The focal points of the calculation are (1) the derivation of rigorous tensorial components of the effective molecular hyperpolarizabilities, (2) the molecular orientational polarizations and the electronic polarizations including the well-known third-order dc polarization, dc electric field induced Kerr effect (dc Kerr effect), optical Kerr effect (OKE), dc electric field induced second harmonic generation (EFISH), degenerate four wave mixing (DFWM) and third harmonic generation (THG). We also present some of the new predictive MONLO processes. For second-order MONLO, second-order optical rectification (SOR), Pockels effect and difference frequency generation (DFG) are described in terms of the anisotropic coefficients of first hyperpolarizability. And, for third-order MONLO, third-order optical rectification (TOR), dc electric field induced difference frequency generation (EFIDFG) and pump-probe transmission are presented.

  19. Rigorous theory of molecular orientational nonlinear optics

    NASA Astrophysics Data System (ADS)

    Kwak, Chong Hoon; Kim, Gun Yeup

    2015-01-01

    Classical statistical mechanics of the molecular optics theory proposed by Buckingham [A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. A 68, 905 (1955)] has been extended to describe the field induced molecular orientational polarization effects on nonlinear optics. In this paper, we present the generalized molecular orientational nonlinear optical processes (MONLO) through the calculation of the classical orientational averaging using the Boltzmann type time-averaged orientational interaction energy in the randomly oriented molecular system under the influence of applied electric fields. The focal points of the calculation are (1) the derivation of rigorous tensorial components of the effective molecular hyperpolarizabilities, (2) the molecular orientational polarizations and the electronic polarizations including the well-known third-order dc polarization, dc electric field induced Kerr effect (dc Kerr effect), optical Kerr effect (OKE), dc electric field induced second harmonic generation (EFISH), degenerate four wave mixing (DFWM) and third harmonic generation (THG). We also present some of the new predictive MONLO processes. For second-order MONLO, second-order optical rectification (SOR), Pockels effect and difference frequency generation (DFG) are described in terms of the anisotropic coefficients of first hyperpolarizability. And, for third-order MONLO, third-order optical rectification (TOR), dc electric field induced difference frequency generation (EFIDFG) and pump-probe transmission are presented.

  20. Boosting Hole Mobility in Coherently Strained [110]-Oriented Ge-Si Core-Shell Nanowires.

    PubMed

    Conesa-Boj, S; Li, A; Koelling, S; Brauns, M; Ridderbos, J; Nguyen, T T; Verheijen, M A; Koenraad, P M; Zwanenburg, F A; Bakkers, E P A M

    2017-04-12

    The ability of core-shell nanowires to overcome existing limitations of heterostructures is one of the key ingredients for the design of next generation devices. This requires a detailed understanding of the mechanism for strain relaxation in these systems in order to eliminate strain-induced defect formation and thus to boost important electronic properties such as carrier mobility. Here we demonstrate how the hole mobility of [110]-oriented Ge-Si core-shell nanowires can be substantially enhanced thanks to the realization of large band offset and coherent strain in the system, reaching values as high as 4200 cm(2)/(Vs) at 4 K and 1600 cm(2)/(Vs) at room temperature for high hole densities of 10(19) cm(-3). We present a direct correlation of (i) mobility, (ii) crystal direction, (iii) diameter, and (iv) coherent strain, all of which are extracted in our work for individual nanowires. Our results imply [110]-oriented Ge-Si core-shell nanowires as a promising candidate for future electronic and quantum transport devices.

  1. Orientation effects in morphology and electronic properties of anatase TiO(2) one-dimensional nanostructures. I. Nanowires.

    PubMed

    Migas, Dmitri B; Filonov, Andrew B; Borisenko, Victor E; Skorodumova, Natalia V

    2014-05-28

    By means of ab initio calculations we have revealed the existence of sizable anisotropy in electronic properties of anatase TiO2 nanowires with respect to orientation: nanowires with 〈001〉, 〈100〉 and 〈110〉 axes are found to be direct band-gap, indirect band-gap and degenerate semiconductor materials, respectively. The degenerate semiconducting properties of 〈110〉-oriented TiO2 nanowires are predicted to be the intrinsic features closely connected with stoichiometry. A band-gap variation with nanowire diameter is also shown to display rather complex behavior characterized by a competition between quantum confinement and surface state effects that is fully compatible with the available contradictory experimental data. Finally, we propose a model to explain the band-gap variation with size in TiO2 nanowires, nanocrystals and thin films.

  2. Influence of substrate orientation on the structural properties of GaAs nanowires in MOCVD

    SciTech Connect

    Muhammad, R. Othaman, Z. Ibrahim, Z. Sakrani, S.; Wahab, Y.

    2016-04-19

    In this study, the effect of substrate orientation on the structural properties of GaAs nanowires grown by a metal organic chemical vapor deposition has been investigated. Gold colloids were used as catalyst to initiate the growth of nanowiresby the vapour-liquid-solid (VLS) mechanism. From the field-emission scanning electron microscopy (FE-SEM), the growth of the nanowires were at an elevation angle of 90°, 60°, 65° and 35° with respect to the GaAs substrate for (111)B, (311)B, (110) and (100) orientations respectively. The preferential NW growth direction is always <111>B. High-resolution transmission electron microscope (HRTEM) micrograph showed the NWs that grew on the GaAs(111)B has more structural defects when compared to others. Energy dispersive X-ray analysis (EDX) indicated the presence of Au, Ga and As. The bigger diameter NWs dominates the (111)B substrate surface.

  3. Influence of substrate orientation on the structural properties of GaAs nanowires in MOCVD

    NASA Astrophysics Data System (ADS)

    Muhammad, R.; Othaman, Z.; Wahab, Y.; Ibrahim, Z.; Sakrani, S.

    2016-04-01

    In this study, the effect of substrate orientation on the structural properties of GaAs nanowires grown by a metal organic chemical vapor deposition has been investigated. Gold colloids were used as catalyst to initiate the growth of nanowiresby the vapour-liquid-solid (VLS) mechanism. From the field-emission scanning electron microscopy (FE-SEM), the growth of the nanowires were at an elevation angle of 90°, 60°, 65° and 35° with respect to the GaAs substrate for (111)B, (311)B, (110) and (100) orientations respectively. The preferential NW growth direction is always <111>B. High-resolution transmission electron microscope (HRTEM) micrograph showed the NWs that grew on the GaAs(111)B has more structural defects when compared to others. Energy dispersive X-ray analysis (EDX) indicated the presence of Au, Ga and As. The bigger diameter NWs dominates the (111)B substrate surface.

  4. Stages in molecular beam epitaxy growth of GaAs nanowires studied by x-ray diffraction.

    PubMed

    Mariager, Simon O; Lauridsen, Søren L; Sørensen, Claus B; Dohn, Asmus; Willmott, Phillip R; Nygård, Jesper; Feidenhans'l, Robert

    2010-03-19

    GaAs nanowires were grown by molecular beam epitaxy and studied by glancing-angle x-ray diffraction during five different stages of the growth process. An entire forest of randomly positioned epitaxial nanowires was sampled simultaneously and a large variation in the Au-Ga catalyst was found. Au, AuGa, AuGa(2) and the hexagonal beta phase were all identified in several orientations and in similar amounts. The nanowires are shown to consist of regular zinc blende crystal, its twin and the hexagonal wurtzite. The evolution of the various Au-Ga catalysts and the development in the twin to the wurtzite abundance ratio indicate that the Au catalyst is saturated upon initiation of growth leading to an increased amount of wurtzite structure in the wires. A specular x-ray scan identifies the various Au-Ga alloys, three Au lattice constants and a rough interface between nanowires and catalyst. Reciprocal space maps were obtained around Au Bragg points and show the development of the Au catalyst from a distribution largely oriented with respect to the lattice to a non-uniform distribution with several well-defined lattice constants.

  5. Growth kinetics in position-controlled and catalyst-free InAs nanowire arrays on Si(111) grown by selective area molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Hertenberger, S.; Rudolph, D.; Bichler, M.; Finley, J. J.; Abstreiter, G.; Koblmüller, G.

    2010-12-01

    We investigated the interwire distance dependence on the growth kinetics of vertical, high-yield InAs nanowire arrays on Si(111) grown by catalyst-free selective area molecular beam epitaxy (MBE). Utilizing lithographically defined SiO2 nanomasks on Si(111) with regular hole patterns, catalyst-free and site-selective growth of vertically (111)-oriented InAs nanowires was achieved with very high yields of ˜90 percent. Interestingly, the yield of vertically ordered nanowires was independent of the interwire distance and the initial growth stages. Significant size variation in the nanowires was found to depend critically on the interwire distance and growth time. Two growth regimes were identified—(i) a competitive growth regime with shorter and thinner nanowires for narrow interwire distances and (ii) a diffusion-limited growth regime for wider distances, providing good estimates for the surface diffusion lengths. Surprisingly, despite these size-dependent effects the nanowire geometries remained unaltered with uniform, almost nontapered morphologies even over large variation in nanowire density (˜mid-106-109 cm-2 range). X-ray diffraction further confirmed the vertical (111) directionality with low crystal tilt by rocking curve widths (ω scans) as low as ˜0.6°. These findings demonstrate the capability to precisely tailor the position and size of well-oriented III-V semiconductor nanowires through noncatalytic MBE selective area growth and provide an important step toward fully integrated, uniform vertical III-V nanowire array-on-Si devices.

  6. On-Surface Synthesis of Sandwich Molecular Nanowires on Graphene.

    PubMed

    Huttmann, Felix; Schleheck, Nicolas; Atodiresei, Nicolae; Michely, Thomas

    2017-07-26

    We demonstrate a new synthesis route for the growth of organometallic sandwich molecular nanowires, taking the example of Eu-cyclooctatetraene (EuCot), a predicted ferromagnetic semiconductor. We employ simultaneous exposure of Cot molecules and Eu vapor in ultrahigh vacuum to an inert substrate, such as graphene. Using a Cot excess under temperature conditions of a finite residence time of the molecule, the reactand diffusion confined to two dimensions results in a clean product of ultralong wires. In situ scanning tunneling microscopy reveals not only their molecular structure but also a rich and intriguing growth morphology. The new on-surface synthesis permits experimental access to a largely unexplored class of one-dimensional organometallic systems with potential for exciting electronic and magnetic properties.

  7. Quality of epitaxial InAs nanowires controlled by catalyst size in molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Zhang, Zhi; Lu, Zhen-Yu; Chen, Ping-Ping; Xu, Hong-Yi; Guo, Ya-Nan; Liao, Zhi-Ming; Shi, Sui-Xing; Lu, Wei; Zou, Jin

    2013-08-01

    In this study, the structural quality of Au-catalyzed InAs nanowires grown by molecular beam epitaxy is investigated. Through detailed electron microscopy characterizations and analysis of binary Au-In phase diagram, it is found that defect-free InAs nanowires can be induced by smaller catalysts with a high In concentration, while comparatively larger catalysts containing less In induce defected InAs nanowires. This study indicates that the structural quality of InAs nanowires can be controlled by the size of Au catalysts when other growth conditions remain as constants.

  8. Mechanism of molecular beam epitaxy growth of GaN nanowires on Si(111)

    NASA Astrophysics Data System (ADS)

    Debnath, R. K.; Meijers, R.; Richter, T.; Stoica, T.; Calarco, R.; Lüth, H.

    2007-03-01

    GaN nanowires have been grown without external catalyst on Si(111) substrates by plasma-assisted molecular beam epitaxy. Nanowire aspect ratios (length/diameter) of about 250 have been achieved. During the initial stage of the growth, there is a nucleation process in which the number of wires increases and the most probable nucleation diameter of about 10nm has been observed, which slowly increases with deposition time. For deposition time longer than the nucleation stage, the nanowire length as a function of diameter monotonically decreases. This phenomenon can be explained by adatom diffusion on the nanowire lateral surface towards the tip.

  9. Using galvanostatic electroforming of Bi1–xSbx nanowires to control composition, crystallinity, and orientation

    DOE PAGES

    Limmer, Steven J.; Medlin, Douglas L.; Siegal, Michael P.; ...

    2014-12-03

    When using galvanostatic pulse deposition, we studied the factors influencing the quality of electroformed Bi1–xSbx nanowires with respect to composition, crystallinity, and preferred orientation for high thermoelectric performance. Two nonaqueous baths with different Sb salts were investigated. The Sb salts used played a major role in both crystalline quality and preferred orientations. Nanowire arrays electroformed using an SbI3 -based chemistry were polycrystalline with no preferred orientation, whereas arrays electroformed from an SbCl3-based chemistry were strongly crystallographically textured with the desired trigonal orientation for optimal thermoelectric performance. From the SbCl3 bath, the electroformed nanowire arrays were optimized to have nanocompositionalmore » uniformity, with a nearly constant composition along the nanowire length. Moreover, nanowires harvested from the center of the array had an average composition of Bi0.75 Sb0.25. However, the nanowire compositions were slightly enriched in Sb in a small region near the edges of the array, with the composition approaching Bi0.70Sb0.30.« less

  10. Mn-assisted molecular-beam epitaxy growth (Ga,Mn)As nanowires

    NASA Astrophysics Data System (ADS)

    Reznik, R. R.; Samsonenko, Yu B.; Khrebtov, A. I.; Bouravleuv, A. D.; Werner, P.; Cirlin, G. E.

    2016-11-01

    Arrays of (Ga,Mn)As crystal nanowires on a GaAs (100) substrate were obtained using molecular-beam epitaxy at the substrate temperature 485°C. From the high energy electron diffraction patterns, the crystallographic phase of the nanowires is detected to be cubic which is supporting by ex situ microscopy study.

  11. Molecular beam epitaxy of single crystalline GaN nanowires on a flexible Ti foil

    NASA Astrophysics Data System (ADS)

    Calabrese, Gabriele; Corfdir, Pierre; Gao, Guanhui; Pfüller, Carsten; Trampert, Achim; Brandt, Oliver; Geelhaar, Lutz; Fernández-Garrido, Sergio

    2016-05-01

    We demonstrate the self-assembled growth of vertically aligned GaN nanowire ensembles on a flexible Ti foil by plasma-assisted molecular beam epitaxy. The analysis of single nanowires by transmission electron microscopy reveals that they are single crystalline. Low-temperature photoluminescence spectroscopy demonstrates that in comparison to standard GaN nanowires grown on Si, the nanowires prepared on the Ti foil exhibit an equivalent crystalline perfection, a higher density of basal-plane stacking faults, but a reduced density of inversion domain boundaries. The room-temperature photoluminescence spectrum of the nanowire ensemble is not influenced or degraded by the bending of the substrate. The present results pave the way for the fabrication of flexible optoelectronic devices based on GaN nanowires on metal foils.

  12. Molecular Beam Epitaxy of GaN Nanowires on Epitaxial Graphene.

    PubMed

    Fernández-Garrido, Sergio; Ramsteiner, Manfred; Gao, Guanhui; Galves, Lauren A; Sharma, Bharat; Corfdir, Pierre; Calabrese, Gabriele; de Souza Schiaber, Ziani; Pfüller, Carsten; Trampert, Achim; Lopes, João Marcelo J; Brandt, Oliver; Geelhaar, Lutz

    2017-09-13

    We demonstrate an all-epitaxial and scalable growth approach to fabricate single-crystalline GaN nanowires on graphene by plasma-assisted molecular beam epitaxy. As substrate, we explore several types of epitaxial graphene layer structures synthesized on SiC. The different structures differ mainly in their total number of graphene layers. Because graphene is found to be etched under active N exposure, the direct growth of GaN nanowires on graphene is only achieved on multilayer graphene structures. The analysis of the nanowire ensembles prepared on multilayer graphene by Raman spectroscopy and transmission electron microscopy reveals the presence of graphene underneath as well as in between nanowires, as desired for the use of this material as contact layer in nanowire-based devices. The nanowires nucleate preferentially at step edges, are vertical, well aligned, epitaxial, and of comparable structural quality as similar structures fabricated on conventional substrates.

  13. GaAs nanowires on Si substrates grown by a solid source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Ihn, Soo-Ghang; Song, Jong-In; Kim, Young-Hun; Lee, Jeong Yong

    2006-07-01

    High-quality Au-catalyzed GaAs nanowires were grown on Si substrates by vapor-liquid-solid growth in a solid source molecular beam epitaxy system. X-ray diffraction, scanning electron microscopy, and high-resolution transmission electron microscopy reveal that the GaAs nanowires were epitaxially grown on Si substrates with uniform diameters along the nanowires. While GaAs nanowires on Si(111) and (001) substrates were mainly grown along the ⟨111⟩ direction with zinc-blende and wurtzite structures, unusual GaAs nanowires grown along ⟨001⟩ with a pure zinc-blende structure were also observed. Strong photoluminescence was observed from GaAs nanowires grown on a Si(001) substrate at room temperature.

  14. Ferromagnetic (Ga,Mn)As nanowires grown by Mn-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Bouravleuv, Alexei; Cirlin, George; Sapega, Victor; Werner, Peter; Savin, Alexander; Lipsanen, Harri

    2013-04-01

    (Ga,Mn)As nanowires were grown by molecular beam epitaxy using Mn as a growth catalyst on GaAs(001) substrates at 485 °C, i.e., at intermediate temperatures higher than ones used for the growth of (Ga,Mn)As thin films, but lower than the ordinary temperatures of Au-assisted growth of GaAs nanowires. (Ga,Mn)As nanowires obtained with typical lengths between 0.8 and 4 μm and diameters 50-90 nm do not have defects, such as dislocations or precipitates, except for the stacking faults lying parallel to the growth direction. The investigation of magnetic and optical properties has been carried out not only for as-grown samples with nanowires but also for peeled off nanowires from the host substrate. The results obtained demonstrate that (Ga,Mn)As nanowires exhibit ferromagnetic ordering around 70 K.

  15. Ferromagnetic (Ga,Mn)As nanowires grown by Mn-assisted molecular beam epitaxy

    SciTech Connect

    Bouravleuv, Alexei; Cirlin, George; Sapega, Victor; Werner, Peter; Savin, Alexander; Lipsanen, Harri

    2013-04-14

    (Ga,Mn)As nanowires were grown by molecular beam epitaxy using Mn as a growth catalyst on GaAs(001) substrates at 485 Degree-Sign C, i.e., at intermediate temperatures higher than ones used for the growth of (Ga,Mn)As thin films, but lower than the ordinary temperatures of Au-assisted growth of GaAs nanowires. (Ga,Mn)As nanowires obtained with typical lengths between 0.8 and 4 {mu}m and diameters 50-90 nm do not have defects, such as dislocations or precipitates, except for the stacking faults lying parallel to the growth direction. The investigation of magnetic and optical properties has been carried out not only for as-grown samples with nanowires but also for peeled off nanowires from the host substrate. The results obtained demonstrate that (Ga,Mn)As nanowires exhibit ferromagnetic ordering around 70 K.

  16. Plasmon-enhanced tilted fiber Bragg gratings with oriented silver nanowire coatings

    NASA Astrophysics Data System (ADS)

    Renoirt, J.-M.; Debliquy, M.; Albert, J.; Ianoul, A.; Caucheteur, C.

    2014-05-01

    (TFBG) covered by silver nanowires aligned perpendicularly to the fiber axis. TBFGs are a convenient way to measure surrounding refractive index, as they provide intrinsic temperature-insensitivity and preserve the optical fiber structural integrity. With bare TFBGs, sensitivity is about 60 nm/RIU (refractive index unit) while when coated with a gold thin film, surface plasmon resonance can be excited leading to a sensitivity about 600 nm/RIU. In our case, we show that localized plasmon resonances can be excited on silver nanowires. These nanowires (100 nm diameter and about 2.5 µm length) were synthetized by polyol process (ethylene glycol reducing silver nitrate in the presence of poly (vinyl pyrrolidone and sodium chloride). The nanowires were aligned and deposited perpendicularly to the fiber axis on the gratings using the Langmuir-Blodgett technique in order to maximise the coupling between azimuthally polarized light modes and the localized plasmons. Excitation of surface plasmons at wavelengths around 1.5 µm occurred, leading to a dip in the polarization dependent losses of the grating. This dip is highly dependent of the surrounding refractive index, leading to a sensitivity of 650 nm/RIU, which is a 10-fold increase compared to bare gratings. We obtain results equal or slightly higher than those obtained using a gold layer on TFBGs. In spite of the comparable bulk refractometric sensitivity, the use of these oriented nanowire layers provide significantly higher contact surface area for biochemical analysis using bioreceptors, and benefit from stronger polarization selectivity between azimuthal and radially polarized modes.

  17. Piezoresistive effect of n-type <111>-oriented Si nanowires under large tension/compression

    NASA Astrophysics Data System (ADS)

    Gao, Di; Yang, Zhenyu; Zheng, Lingli; Zheng, Kun

    2017-03-01

    Small-scale samples enable us to understand changes in physical properties under larger strain due to their higher tolerance to deformation. In this study, the piezoresistive character of n-type <111>-oriented Si nanowires under large strain was measured during tensile and compressive deformations. The Si nanowires were directly cut from the wafer using top-down technology and deformed while capturing their electrical properties inside a transmission electron microscope. The experimental results show that both tensile and compressive deformation enhanced their electrical transport properties. The piezoresistance coefficient is of the same order of magnitude as its bulk counterpart, but half as large, which may be attributed to a larger strain magnitude. We also studied the circulatory characteristics and influence of electron beam radiation. This study provided new physical insights into piezoresistive effects under large strain.

  18. Molecular dynamics study of nanojoining between axially positioned Ag nanowires

    NASA Astrophysics Data System (ADS)

    Cui, Jianlei; Theogene, Barayavuga; Wang, Xuewen; Mei, Xuesong; Wang, Wenjun; Wang, Kedian

    2016-08-01

    The miniaturization of electronics devices into nanometer scale is indispensable for next-generation semiconductor technology. Ag nanowires (Ag NWs) are considered to be the promising candidates for future electronic circuit owing to the excellent electrical and thermal properties. The nanojoining of axially positioned Ag NWs was performed by molecular dynamics simulation. Through the detailed atomic evolution during the nanojoining, the results indicate that the temperature and the distance between Ag NWs in axial direction have a great impact on nanojoining effect. When the nanojoining temperature is relatively high, the atoms are disordered and the atomic queues become to distort with strong thermodynamic properties and weak effect of metal bonds. At the relatively low temperature, the Ag NWs can be well connected with good junction quality and their own morphology, which is similar to the cold welding without fusion, while the distance between Ag NWs should be controlled for interaction and diffusion of interfacial atoms at nanowires head. When the Ag NWs are placed on Si and SiO2 substrate, because the atomic species and lattice structure of substrate material can differently affect the motions of Ag atoms through the interactive force between the atoms, the nanojoining quality of Ag NWs on Si substrate is better than that on the SiO2 substrate. So, for getting effective and reliable nanojoining without nanosolders and other materials, the temperature, distance and substrate surface should be reasonably controlled and selected, providing helpful theoretical guidance for experiment and application of nanojoining.

  19. Electronic structures of [001]- and [111]-oriented InSb and GaSb free-standing nanowires

    SciTech Connect

    Liao, Gaohua; Luo, Ning; Yang, Zhihu; Chen, Keqiu; Xu, H. Q. E-mail: hongqi.xu@ftf.lth.se

    2015-09-07

    We report on a theoretical study of the electronic structures of InSb and GaSb nanowires oriented along the [001] and [111] crystallographic directions. The nanowires are described by atomistic, tight-binding models, including spin-orbit interaction. The band structures and the wave functions of the nanowires are calculated by means of a Lanczos iteration algorithm. For the [001]-oriented InSb and GaSb nanowires, the systems with both square and rectangular cross sections are considered. Here, it is found that all the energy bands are doubly degenerate. Although the lowest conduction bands in these nanowires show good parabolic dispersions, the top valence bands show rich and complex structures. In particular, the topmost valence bands of the nanowires with a square cross section show a double maximum structure. In the nanowires with a rectangular cross section, this double maximum structure is suppressed, and the top valence bands gradually develop into parabolic bands as the aspect ratio of the cross section is increased. For the [111]-oriented InSb and GaSb nanowires, the systems with hexagonal cross sections are considered. It is found that all the bands at the Γ-point are again doubly degenerate. However, some of them will split into non-degenerate bands when the wave vector moves away from the Γ-point. Although the lowest conduction bands again show good parabolic dispersions, the topmost valence bands do not show the double maximum structure. Instead, they show a single maximum structure with its maximum at a wave vector slightly away from the Γ-point. The wave functions of the band states near the band gaps of the [001]- and [111]-oriented InSb and GaSb nanowires are also calculated and are presented in terms of probability distributions in the cross sections. It is found that although the probability distributions of the band states in the [001]-oriented nanowires with a rectangular cross section could be qualitatively described by one-band effective

  20. Hierarchical ZnO Nanowire Growth with Tunable Orientations on Versatile Substrates Using Atomic Layer Deposition Seeding

    SciTech Connect

    Bielinski, Ashley R.; Kazyak, Eric; Schleputz, Christian M.; Jung, Hee Joon; Wood, Kevin N.; Dasgupta, Neil P.

    2015-07-14

    The ability to synthesize semiconductor nanowires with deterministic and tunable control of orientation and morphology on a wide range of substrates, while high precision and repeatability are maintained, is a challenge currently faced for the development of many nanoscale material systems. Here we show that atomic layer deposition (ALD) presents a reliable method of surface and interfacial modification to guide nanowire orientation on a variety of substrate materials and geometries, including high-aspect-ratio, three-dimensional templates. We demonstrate control of the orientation and geometric properties of hydrothermally grown single crystalline ZnO nanowires via the deposition of a ZnO seed layer by ALD. The crystallographic texture and roughness of the seed layer result in tunable preferred nanowire orientations and densities for identical hydrothermal growth conditions. The structural and chemical relationship between the ALD layers and nanowires was investigated with synchrotron X-ray diffraction, high-resolution transmission electron microscopy, and X-ray photoelectron spectroscopy to elucidate the underlying mechanisms of orientation and morphology control. The resulting control parameters were utilized to produce hierarchical nanostructures with tunable properties on a wide range of substrates, including vertical micropillars, paper fibers, porous polymer membranes, and biological substrates. This illustrates the power of ALD for interfacial engineering of heterogeneous material systems at the nanoscale, to provide a highly controlled and scalable seeding method for bottom-up synthesis of integrated nanosystems.

  1. Vapor-solid-solid grown Ge nanowires at integrated circuit compatible temperature by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Zhu, Zhongyunshen; Song, Yuxin; Zhang, Zhenpu; Sun, Hao; Han, Yi; Li, Yaoyao; Zhang, Liyao; Xue, Zhongying; Di, Zengfeng; Wang, Shumin

    2017-09-01

    We demonstrate Au-assisted vapor-solid-solid (VSS) growth of Ge nanowires (NWs) by molecular beam epitaxy at the substrate temperature of ˜180 °C, which is compatible with the temperature window for Si-based integrated circuit. Low temperature grown Ge NWs hold a smaller size, similar uniformity, and better fit with Au tips in diameter, in contrast to Ge NWs grown at around or above the eutectic temperature of Au-Ge alloy in the vapor-liquid-solid (VLS) growth. Six ⟨110⟩ growth orientations were observed on Ge (110) by the VSS growth at ˜180 °C, differing from only one vertical growth direction of Ge NWs by the VLS growth at a high temperature. The evolution of NWs dimension and morphology from the VLS growth to the VSS growth is qualitatively explained by analyzing the mechanism of the two growth modes.

  2. Synthesis of long group IV semiconductor nanowires by molecular beam epitaxy

    PubMed Central

    2011-01-01

    We report the growth of Si and Ge nanowires (NWs) on a Si(111) surface by molecular beam epitaxy. While Si NWs grow perpendicular to the surface, two types of growth axes are found for the Ge NWs. Structural studies of both types of NWs performed with electron microscopies reveal a marked difference between the roughnesses of their respective sidewalls. As the investigation of their length dependence on their diameter indicates that the growth of the NWs predominantly proceeds through the diffusion of adatoms from the substrate up along the sidewalls, difference in the sidewall roughness qualitatively explains the length variation measured between both types of NWs. The formation of atomically flat {111} sidewalls on the <110>-oriented Ge NWs accounts for a larger diffusion length. PMID:21711645

  3. InAs/InP nanowires grown by catalyst assisted molecular beam epitaxy on silicon substrates

    NASA Astrophysics Data System (ADS)

    Khmissi, H.; Naji, K.; Hadj Alouane, M. H.; Chauvin, N.; Bru-Chevallier, C.; Ilahi, B.; Patriarche, G.; Gendry, M.

    2012-04-01

    InP nanowires (NWs) with an InAs insertion were grown on (001)- and (111)-oriented silicon substrates by catalyst assisted molecular beam epitaxy. To prevent the crystallization of the catalyst droplet we propose a procedure based on the realization of the switching of the elements V flux during a growth interruption. With this procedure and with the growth conditions we have used, the crystal structure of the NWs is purely wurtzite without any stacking faults. With these growth conditions, both radial and axial growths occur simultaneously and we show that the growth time of the InAs insertion could be adjusted to obtain radial quantum well emitting in the 1.3-1.6 μm telecom band at room temperature.

  4. GaN nanowires with pentagon shape cross-section by ammonia-source molecular beam epitaxy

    DOE PAGES

    Lin, Yong; Leung, Benjamin; Li, Qiming; ...

    2015-07-14

    In this study, ammonia-based molecular beam epitaxy (NH3-MBE) was used to grow catalyst-assisted GaN nanowires on (11¯02) r-plane sapphire substrates. Dislocation free [112¯0] oriented nanowires are formed with pentagon shape cross-section, instead of the usual triangular shape facet configuration. Specifically, the cross-section is the result of the additional two nonpolar {101¯0} side facets, which appear due to a decrease in relative growth rate of the {101¯0} facets to the {101¯1} and {101¯1} facets under the growth regime in NH3-MBE. Compared to GaN nanowires grown by Ni-catalyzed metal–organic chemical vapor deposition, the NH3-MBE grown GaN nanowires show more than an ordermore » of magnitude increase in band-edge to yellow luminescence intensity ratio, as measured by cathodoluminescence, indicating improved microstructural and optical properties.« less

  5. GaN nanowires with pentagon shape cross-section by ammonia-source molecular beam epitaxy

    SciTech Connect

    Lin, Yong; Leung, Benjamin; Li, Qiming; Figiel, Jeffrey J.; Wang, George T.

    2015-07-14

    In this study, ammonia-based molecular beam epitaxy (NH3-MBE) was used to grow catalyst-assisted GaN nanowires on (11¯02) r-plane sapphire substrates. Dislocation free [112¯0] oriented nanowires are formed with pentagon shape cross-section, instead of the usual triangular shape facet configuration. Specifically, the cross-section is the result of the additional two nonpolar {101¯0} side facets, which appear due to a decrease in relative growth rate of the {101¯0} facets to the {101¯1} and {101¯1} facets under the growth regime in NH3-MBE. Compared to GaN nanowires grown by Ni-catalyzed metal–organic chemical vapor deposition, the NH3-MBE grown GaN nanowires show more than an order of magnitude increase in band-edge to yellow luminescence intensity ratio, as measured by cathodoluminescence, indicating improved microstructural and optical properties.

  6. Effects of twin orientation and spacing on the mechanical properties of Cu nanowires.

    PubMed

    Yang, Zhenyu; Zheng, Lingli; Yue, Yonghai; Lu, Zixing

    2017-08-30

    The role of twin orientation in mechanical behaviors of nanomaterials is drawing increasing attention. In this paper, atomistic simulations on the tensile deformation of twinned Cu nanowires (NWs) are implemented to investigate the twin orientation and spacing effects. The results of numerical simulations reveal that the tensile deformation mechanisms can be divided into three types with the twin orientation varying from 0° to 90°: dislocations slip intersecting with twin boundary (TB), stacking faults formed parallel to the TB and TB migration. Detail analysis about dislocation motion is carried out to illustrate the plastic deformation mechanisms. In addition, with the increasing of the TB spacing, there is a transition from yield with strain hardening to yield with nearly constant flow stress. The peak stress decreases with the increase of TB spacing, which can be attributed to surface roughness caused by crystal reorientation. Our findings also suggest a possible approach to tune the mechanical behaviors of low dimensional nanostructures.

  7. Investigation of mechanical properties of twin gold crystal nanowires under uniaxial load by molecular dynamics method

    NASA Astrophysics Data System (ADS)

    Zhang, Guo-Wei; Yang, Zai-Lin; Luo, Gang

    2016-08-01

    Twin gold crystal nanowires, whose loading direction is parallel to the twin boundary orientation, are simulated. We calculate the nanowires under tensile or compressive loads, different length nanowires, and different twin boundary nanowires respectively. The Young modulus of nanowires under compressive load is about twice that under tensile load. The compressive properties of twin gold nanowires are superior to their tensile properties. For different length nanowires, there is a critical value of length with respect to the mechanical properties. When the length of nanowire is greater than the critical value, its mechanical properties are sensitive to length. The twin boundary spacing hardly affects the mechanical properties. Project supported by the National Science and Technology Pillar Program, China (Grant No. 2015BAK17B06), the Earthquake Industry Special Science Research Foundation Project, China (Grant No. 201508026-02), the Natural Science Foundation of Heilongjiang Province, China (Grant No. A201310), and the Scientific Research Starting Foundation for Post Doctorate of Heilongjiang Province, China (Grant No. LBHQ13040).

  8. Polarization-resolved photoluminescence study of individual GaN nanowires grown by catalyst-free molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Schlager, John B.; Sanford, Norman A.; Bertness, Kris A.; Barker, Joy M.; Roshko, Alexana; Blanchard, Paul T.

    2006-05-01

    Polarization- and temperature-dependent photoluminescence (PL) measurements were performed on individual GaN nanowires. These were grown by catalyst-free molecular beam epitaxy on Si(111) substrates, ultrasonically removed, and subsequently dispersed on sapphire substrates. The wires were typically 5-10μm in length, c-axis oriented, and 30-100nm in diameter. Single wires produced sufficient emission intensity to enable high signal-to-noise PL data. Polarized PL spectra differed for the σ and π polarization cases, illustrating the polarization anisotropy of the exciton emission associated with high-quality wurtzite GaN. This anisotropy in PL emission persisted even up to room temperature (4-296K). Additionally, the nanowire PL varied with excitation intensity and with (325nm) pump exposure time.

  9. The Synergic Effect of Atomic Hydrogen Adsorption and Catalyst Spreading on Ge Nanowire Growth Orientation and Kinking.

    PubMed

    Kolíbal, Miroslav; Pejchal, Tomáš; Vystavěl, Tomáš; Šikola, Tomáš

    2016-08-10

    Hydride precursors are commonly used for semiconductor nanowire growth from the vapor phase and hydrogen is quite often used as a carrier gas. Here, we used in situ scanning electron microscopy and spatially resolved Auger spectroscopy to reveal the essential role of atomic hydrogen in determining the growth direction of Ge nanowires with an Au catalyst. With hydrogen passivating nanowire sidewalls the formation of inclined facets is suppressed, which stabilizes the growth in the ⟨111⟩ direction. By contrast, without hydrogen gold diffuses out of the catalyst and decorates the nanowire sidewalls, which strongly affects the surface free energy of the system and results in the ⟨110⟩ oriented growth. The experiments with intentional nanowire kinking reveal the existence of an energetic barrier, which originates from the kinetic force needed to drive the droplet out of its optimum configuration on top of a nanowire. Our results stress the role of the catalyst material and surface chemistry in determining the nanowire growth direction and provide additional insights into a kinking mechanism, thus allowing to inhibit or to intentionally initiate spontaneous kinking.

  10. Thermal stabilization of thin gold nanowires by surfactant-coating: a molecular dynamics study.

    PubMed

    Huber, Stefan E; Warakulwit, Chompunuch; Limtrakul, Jumras; Tsukuda, Tatsuya; Probst, Michael

    2012-01-21

    The thermal stabilization of thin gold nanowires with a diameter of about 2 nm by surfactants is investigated by means of classical molecular dynamics simulations. While the well-known melting point depression leads to a much lower melting of gold nanowires compared to bulk gold, coating the nanowires with surfactants can reverse this, given that the attractive interaction between surfactant molecules and gold atoms lies beyond a certain threshold. It is found that the melting process of coated nanowires is dominated by surface instability patterns, whereas the melting behaviour of gold nanowires in a vacuum is dominated by the greater mobility of atoms with lower coordination numbers that are located at edges and corners. The suppression of the melting by surfactants is explained by the isotropic pressure acting on the gold surface (due to the attractive interaction) which successfully suppresses large-amplitude thermal motions of the gold atoms.

  11. Self-regulated radius of spontaneously formed GaN nanowires in molecular beam epitaxy.

    PubMed

    Fernández-Garrido, Sergio; Kaganer, Vladimir M; Sabelfeld, Karl K; Gotschke, Tobias; Grandal, Javier; Calleja, Enrique; Geelhaar, Lutz; Brandt, Oliver

    2013-07-10

    We investigate the axial and radial growth of GaN nanowires upon a variation of the Ga flux during molecular beam epitaxial growth. An increase in the Ga flux promotes radial growth without affecting the axial growth rate. In contrast, a decrease in the Ga flux reduces the axial growth rate without any change in the radius. These results are explained by a kinetic growth model that accounts for both the diffusion of Ga adatoms along the side facets toward the nanowire tip and the finite amount of active N available for the growth. The model explains the formation of a new equilibrium nanowire radius after increasing the Ga flux and provides an explanation for two well-known but so far not understood experimental facts: the necessity of effectively N-rich conditions for the spontaneous growth of GaN nanowires and the increase in nanowire radius with increasing III/V flux ratio.

  12. Atomistic Study of the Melting Behavior of Single Crystalline Wurtzite Gallium Nitride Nanowires

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao; Gao, Fei; Weber, William J.

    2007-03-01

    Molecular dynamics (MD) simulation was used to study the melting behavior of GaN nanowires with Stillinger-Webber (SW) potential. Our results reveal that the melting of nanowires starts from the surface, and rapidly extends to the inner regions of nanowires as temperature increases. The melting temperature of GaN nanowires is lower than that of the bulk GaN, which may associate with large surfaces of nanowires. The melting temperatures increase to saturation values ~3100K and ~2900K when the diameters of nanowires are larger than 3.14 and 4.14 nm for nanowires with [100]- and [110]-oriented lateral facets, respectively.

  13. Steering epitaxial alignment of Au, Pd, and AuPd nanowire arrays by atom flux change.

    PubMed

    Yoo, Youngdong; Seo, Kwanyong; Han, Sol; Varadwaj, Kumar S K; Kim, Hyun You; Ryu, Ji Hoon; Lee, Hyuck Mo; Ahn, Jae Pyoung; Ihee, Hyotcherl; Kim, Bongsoo

    2010-02-10

    We have synthesized epitaxial Au, Pd, and AuPd nanowire arrays in vertical or horizontal alignment on a c-cut sapphire substrate. We show that the vertical and horizontal nanowire arrays grow from half-octahedral seeds by the correlations of the geometry and orientation of seed crystals with those of as-grown nanowires. The alignment of nanowires can be steered by changing the atom flux. At low atom deposition flux vertical nanowires grow, while at high atom flux horizontal nanowires grow. Similar vertical/horizontal epitaxial growth is also demonstrated on SrTiO(3) substrates. This orientation-steering mechanism is visualized by molecular dynamics simulations.

  14. A molecular dynamics simulation study of irradiation induced defects in gold nanowire

    NASA Astrophysics Data System (ADS)

    Liu, Wenqiang; Chen, Piheng; Qiu, Ruizhi; Khan, Maaz; Liu, Jie; Hou, Mingdong; Duan, Jinglai

    2017-08-01

    Displacement cascade in gold nanowires was studied using molecular dynamics computer simulations. Primary knock-on atoms (PKAs) with different kinetic energies were initiated either at the surface or at the center of the nanowires. We found three kinds of defects that were induced by the cascade, including point defects, stacking faults and crater at the surface. The starting points of PKAs influence the number of residual point defects, and this consequently affect the boundary of anti-radiation window which was proposed by calculation of diffusion of point defects to the free surface of nanowires. Formation of stacking faults that expanded the whole cross-section of gold nanowires was observed when the PKA's kinetic energy was higher than 5 keV. Increasing the PKA's kinetic energy up to more than 10 keV may lead to the formation of crater at the surface of nanowires due to microexplosion of hot atoms. At this energy, PKAs started from the center of nanowires can also result in the creation of crater because length of cascade region is comparable to diameter of nanowires. Both the two factors, namely initial positions of PKAs as well as the craters induced by higher energy irradiation, would influence the ability of radiation resistance of metal nanowires.

  15. Au-assisted molecular beam epitaxy of InAs nanowires: Growth and theoretical analysis

    NASA Astrophysics Data System (ADS)

    Tchernycheva, Maria; Travers, Laurent; Patriarche, Gilles; Glas, Frank; Harmand, Jean-Christophe; Cirlin, George E.; Dubrovskii, Vladimir G.

    2007-11-01

    The Au-assisted molecular beam epitaxial growth of InAs nanowires is discussed. In situ reflection high-energy electron diffraction observations of phase transitions of the catalyst particles indicate that they can be liquid below the eutectic point of the Au-In alloy. The temperature range where the catalyst can be liquid covers the range where we observed nanowire formation (380-430 °C). The variation of nanowire growth rate with temperature is investigated. Pure axial nanowire growth is observed at high temperature while mixed axial/lateral growth occurs at low temperature. The change of the InAs nanowire shape with growth duration is studied. It is shown that significant lateral growth of the lower part of the nanowire starts when its length exceeds a critical value, so that their shape presents a steplike profile along their axis. A theoretical model is proposed to explain the nanowire morphology as a result of the axial and lateral contributions of the nanowire growth.

  16. Theoretical analysis of the vapor-liquid-solid mechanism of nanowire growth during molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Dubrovskii, V. G.; Sibirev, N. V.; Cirlin, G. E.; Harmand, J. C.; Ustinov, V. M.

    2006-02-01

    A theoretical model of nanowire formation by the vapor-liquid-solid mechanism during molecular beam epitaxy and related growth techniques is presented. The model unifies the conventional adsorption-induced model, the diffusion-induced model, and the model of nucleation-mediated growth on the liquid-solid interface. The concentration of deposit atoms in the liquid alloy, the nanowire diameter, and all other characteristics of the growth process are treated dynamically as functions of the growth time. The model provides theoretical length-diameter dependences of nanowires and the dependence of the nanowire length on the technologically controlled growth conditions, such as the surface temperature and the deposition thickness. In particular, it is shown that the length-diameter curves of nanowires might convert from decreasing to increasing at a certain critical diameter and that the nanowires taper when their length becomes comparable with the adatom diffusion length on the sidewalls. The theoretical dependence of the nanowire morphology on its lateral size and length and on the surface temperature are compared to the available experimental data obtained recently for Si and GaAs nanowires.

  17. Influence of substrate material, orientation, and surface termination on GaN nanowire growth

    NASA Astrophysics Data System (ADS)

    Schuster, Fabian; Weiszer, Saskia; Hetzl, Martin; Winnerl, Andrea; Garrido, Jose A.; Stutzmann, Martin

    2014-08-01

    In this work, we investigate the fundamental role of the substrate material, surface orientation, and termination on GaN nanowire (NW) nucleation and growth. First of all, the use of a patterned a-Si/diamond substrate confirms that NW shape and dimension are mainly determined by the applied growth conditions instead of the nature of the substrate. More important is the surface orientation as it defines growth direction and epitaxial relationship towards the GaN NWs, where both (111) and (100) surfaces yield NW growth for equivalent growth conditions. (110) substrates are found to be not suited for NW growth. Finally, the surface termination of diamond is demonstrated to survive the employed growth conditions and, therefore, to affect the nucleation of nanowires and the electronic properties of the heterointerface by its surface dipoles. This difference in nucleation is exploited as an alternative approach for selective area growth without deposition of a foreign mask material, which might also be transferable to other substrates.

  18. Influence of substrate material, orientation, and surface termination on GaN nanowire growth

    SciTech Connect

    Schuster, Fabian Weiszer, Saskia; Hetzl, Martin; Winnerl, Andrea; Garrido, Jose A.; Stutzmann, Martin

    2014-08-07

    In this work, we investigate the fundamental role of the substrate material, surface orientation, and termination on GaN nanowire (NW) nucleation and growth. First of all, the use of a patterned a-Si/diamond substrate confirms that NW shape and dimension are mainly determined by the applied growth conditions instead of the nature of the substrate. More important is the surface orientation as it defines growth direction and epitaxial relationship towards the GaN NWs, where both (111) and (100) surfaces yield NW growth for equivalent growth conditions. (110) substrates are found to be not suited for NW growth. Finally, the surface termination of diamond is demonstrated to survive the employed growth conditions and, therefore, to affect the nucleation of nanowires and the electronic properties of the heterointerface by its surface dipoles. This difference in nucleation is exploited as an alternative approach for selective area growth without deposition of a foreign mask material, which might also be transferable to other substrates.

  19. Molecular beam epitaxy growth and optical properties of AlN nanowires

    NASA Astrophysics Data System (ADS)

    Landré, O.; Fellmann, V.; Jaffrennou, P.; Bougerol, C.; Renevier, H.; Cros, A.; Daudin, B.

    2010-02-01

    Growth of catalyst-free AlN nanowires has been achieved by plasma-assisted molecular beam epitaxy on SiO2/Si (100), by taking advantage of Volmer-Weber growth mode of AlN on amorphous SiO2. Using a combination of high resolution transmission electron microscopy and Raman spectroscopy, it is found that AlN nanowires are completely relaxed, which has been assigned to the compliant character of SiO2. Elastic strain relaxation of AlN nanowires has been further confirmed by photoluminescence experiments, showing in addition that spectra are dominated by near-band edge emission.

  20. Electronic and magnetic structure of LaSr-2×4 manganese oxide molecular sieve nanowires.

    PubMed

    Gazquez, Jaume; Carretero-Genevrier, Adrián; Gich, Martí; Mestres, Narcís; Varela, María

    2014-06-01

    In this study we combine scanning transmission electron microscopy, electron energy loss spectroscopy and electron magnetic circular dichroism to get new insights into the electronic and magnetic structure of LaSr-2×4 manganese oxide molecular sieve nanowires integrated on a silicon substrate. These nanowires exhibit ferromagnetism with strongly enhanced Curie temperature (T c >500 K), and we show that the new crystallographic structure of these LaSr-2×4 nanowires involves spin orbital coupling and a mixed-valence Mn3+/Mn4+, which is a must for ferromagnetic ordering to appear, in line with the standard double exchange explanation.

  1. ZnTe nanowires grown catalytically on GaAs (001) substrates by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Janik, E.; Sadowski, J.; DłuŻewski, P.; Kret, S.; Presz, A.; Baczewski, L. T.; Łusakowska, E.; Wróbel, J.; Karczewski, G.; Wojtowicz, T.

    2007-04-01

    We report on the first successful growth of ZnTe nanowires and on their basic structural properties. The nanowires were produced by molecular beam epitaxy (MBE) with the use of mechanism of catalytically enhanced growth. A thin layer of gold layer (3 to 20 Å thick) annealed in high vacuum prior to the nanowires growth was used as a source of catalytic nanoparticles. Annealing of GaAs substrate with gold layer, performed prior to the MBE growth, leads to formation of Au-Ga eutectic droplets. The presence of Au-Ga droplets on GaAs substrate surface induce the ZnTe nanowire growth via vapor-liquid-solid mechanism, in growth conditions differing form those used in the molecular beam epitaxial growth of ZnTe layers only in the substrate temperature.

  2. Molecular doping and gas sensing in Si nanowires: From charge injection to reduced dielectric mismatch

    NASA Astrophysics Data System (ADS)

    Amato, Giampiero; Cultrera, Alessandro; Boarino, Luca; Lamberti, Carlo; Bordiga, Silvia; Mercuri, Francesco; Cartoixà, Xavier; Rurali, Riccardo

    2013-11-01

    We report experimental and theoretical evidence of the different mechanisms that lead to doping of Si nanowires upon molecular adsorption of two paradigmatic Lewis bases. Pyridine genuinely dopes the nanowires by injecting charge carriers. Ethanol, on the other hand, simply modifies the dielectric screening conditions, allowing the reactivation of preexisting electrically passive impurities, and thus cannot control neither the nature (n- vs p-type) nor the concentration of the carriers.

  3. Crystal Orientation Controlled Photovoltaic Properties of Multilayer GaAs Nanowire Arrays.

    PubMed

    Han, Ning; Yang, Zai-Xing; Wang, Fengyun; Yip, SenPo; Li, Dapan; Hung, Tak Fu; Chen, Yunfa; Ho, Johnny C

    2016-06-28

    In recent years, despite significant progress in the synthesis, characterization, and integration of various nanowire (NW) material systems, crystal orientation controlled NW growth as well as real-time assessment of their growth-structure-property relationships still presents one of the major challenges in deploying NWs for practical large-scale applications. In this study, we propose, design, and develop a multilayer NW printing scheme for the determination of crystal orientation controlled photovoltaic properties of parallel GaAs NW arrays. By tuning the catalyst thickness and nucleation and growth temperatures in the two-step chemical vapor deposition, crystalline GaAs NWs with uniform, pure ⟨110⟩ and ⟨111⟩ orientations and other mixture ratios can be successfully prepared. Employing lift-off resists, three-layer NW parallel arrays can be easily attained for X-ray diffraction in order to evaluate their growth orientation along with the fabrication of NW parallel array based Schottky photovoltaic devices for the subsequent performance assessment. Notably, the open-circuit voltage of purely ⟨111⟩-oriented NW arrayed cells is far higher than that of ⟨110⟩-oriented NW arrayed counterparts, which can be interpreted by the different surface Fermi level pinning that exists on various NW crystal surface planes due to the different As dangling bond densities. All this indicates the profound effect of NW crystal orientation on physical and chemical properties of GaAs NWs, suggesting the careful NW design considerations for achieving optimal photovoltaic performances. The approach presented here could also serve as a versatile and powerful platform for in situ characterization of other NW materials.

  4. Molecularly imprinted silica-silver nanowires for tryptophan recognition

    NASA Astrophysics Data System (ADS)

    Díaz-Faes López, T.; Díaz-García, M. E.; Badía-Laíño, R.

    2014-10-01

    We report on silver nanowires (AgNWs) coated with molecularly imprinted silica (MIP SiO2) for recognition of tryptophan (Trp). The use of AgNWs as a template confers an imprinted material with adequate mechanical strength and with a capability of recognizing Trp due to its nanomorphology when compared to spherical microparticles with a similar surface-to-volume ratio. Studies on adsorption isotherms showed the MIP-SiO2-AgNWs to exhibit homogeneous affinity sites with narrow affinity distribution. This suggests that the synthesized material behaves as a 1D nanomaterial with a large area and small thickness with very similar affinity sites. Trp release from MIP-SiO2-AgNWs was demonstrated to be dominated by the diffusion rate of Trp as controlled by the specific interactions with the imprinted silica shell. Considering these results and the lack of toxicity of silica sol-gel materials, the material offers potential in the field of drug or pharmaceutical controlled delivery, but also in optoelectronic devices, electrodes and sensors.

  5. Orientation Effects in Ballistic High-Strained P-type Si Nanowire FETs

    PubMed Central

    Zhang, Jia-Hong; Huang, Qing-An; Yu, Hong; Lei, Shuang-Ying

    2009-01-01

    In order to design and optimize high-sensitivity silicon nanowire-field-effect transistor (SiNW FET) pressure sensors, this paper investigates the effects of channel orientations and the uniaxial stress on the ballistic hole transport properties of a strongly quantized SiNW FET placed near the high stress regions of the pressure sensors. A discrete stress-dependent six-band k.p method is used for subband structure calculation, coupled to a two-dimensional Poisson solver for electrostatics. A semi-classical ballistic FET model is then used to evaluate the ballistic current-voltage characteristics of SiNW FETs with and without strain. Our results presented here indicate that [110] is the optimum orientation for the p-type SiNW FETs and sensors. For the ultra-scaled 2.2 nm square SiNW, due to the limit of strong quantum confinement, the effect of the uniaxial stress on the magnitude of ballistic drive current is too small to be considered, except for the [100] orientation. However, for larger 5 nm square SiNW transistors with various transport orientations, the uniaxial tensile stress obviously alters the ballistic performance, while the uniaxial compressive stress slightly changes the ballistic hole current. Furthermore, the competition of injection velocity and carrier density related to the effective hole masses is found to play a critical role in determining the performance of the nanotransistors. PMID:22574043

  6. Orientation Effects in Ballistic High-Strained P-type Si Nanowire FETs.

    PubMed

    Zhang, Jia-Hong; Huang, Qing-An; Yu, Hong; Lei, Shuang-Ying

    2009-01-01

    In order to design and optimize high-sensitivity silicon nanowire-field-effect transistor (SiNW FET) pressure sensors, this paper investigates the effects of channel orientations and the uniaxial stress on the ballistic hole transport properties of a strongly quantized SiNW FET placed near the high stress regions of the pressure sensors. A discrete stress-dependent six-band k.p method is used for subband structure calculation, coupled to a two-dimensional Poisson solver for electrostatics. A semi-classical ballistic FET model is then used to evaluate the ballistic current-voltage characteristics of SiNW FETs with and without strain. Our results presented here indicate that [110] is the optimum orientation for the p-type SiNW FETs and sensors. For the ultra-scaled 2.2 nm square SiNW, due to the limit of strong quantum confinement, the effect of the uniaxial stress on the magnitude of ballistic drive current is too small to be considered, except for the [100] orientation. However, for larger 5 nm square SiNW transistors with various transport orientations, the uniaxial tensile stress obviously alters the ballistic performance, while the uniaxial compressive stress slightly changes the ballistic hole current. Furthermore, the competition of injection velocity and carrier density related to the effective hole masses is found to play a critical role in determining the performance of the nanotransistors.

  7. Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study

    SciTech Connect

    Saha, Sourav Mojumder, Satyajit; Mahboob, Monon; Islam, M. Zahabul

    2016-07-12

    Tungsten is a promising material and has potential use as battery anode. Tungsten nanowires are gaining attention from researchers all over the world for this wide field of application. In this paper, we investigated effect of temperature and geometric parameters (diameter and aspect ratio) on elastic properties of Tungsten nanowire. Aspect ratios (length to diameter ratio) considered are 8:1, 10:1, and 12:1 while diameter of the nanowire is varied from 1-4 nm. For 2 nm diameter sample (aspect ratio 10:1), temperature is varied (10 K ~ 1500 K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAM potential is used for molecular dynamic simulation. We applied constant strain rate of 10{sup 9} s{sup −1} to deform the nanowire. Elastic behavior is expressed through stress vs. strain plot. We also investigated the fracture mechanism of tungsten nanowire and radial distribution function. Investigation suggests peculiar behavior of Tungsten nanowire in nano-scale with double peaks in stress vs. strain diagram. Necking before final fracture suggests that actual elastic behavior of the material is successfully captured through atomistic modeling.

  8. Effect of temperature and geometric parameters on elastic properties of tungsten nanowire: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Saha, Sourav; Mojumder, Satyajit; Mahboob, Monon; Islam, M. Zahabul

    2016-07-01

    Tungsten is a promising material and has potential use as battery anode. Tungsten nanowires are gaining attention from researchers all over the world for this wide field of application. In this paper, we investigated effect of temperature and geometric parameters (diameter and aspect ratio) on elastic properties of Tungsten nanowire. Aspect ratios (length to diameter ratio) considered are 8:1, 10:1, and 12:1 while diameter of the nanowire is varied from 1-4 nm. For 2 nm diameter sample (aspect ratio 10:1), temperature is varied (10K ~ 1500K) to observe elastic behavior of Tungsten nanowire under uniaxial tensile loading. EAM potential is used for molecular dynamic simulation. We applied constant strain rate of 109 s-1 to deform the nanowire. Elastic behavior is expressed through stress vs. strain plot. We also investigated the fracture mechanism of tungsten nanowire and radial distribution function. Investigation suggests peculiar behavior of Tungsten nanowire in nano-scale with double peaks in stress vs. strain diagram. Necking before final fracture suggests that actual elastic behavior of the material is successfully captured through atomistic modeling.

  9. Effect of surface roughness, chemical composition, and native oxide crystallinity on the orientation of self-assembled GaN nanowires on Ti foils.

    PubMed

    Calabrese, G; Pettersen, S V; Pfüller, C; Ramsteiner, M; Grepstad, J K; Brandt, O; Geelhaar, L; Fernández-Garrido, S

    2017-10-20

    We report on plasma-assisted molecular beam epitaxial growth of almost randomly oriented, uniformly tilted, and vertically aligned self-assembled GaN nanowires (NWs), respectively, on different types of polycrystalline Ti foils. The NW orientation with respect to the substrate normal, which is affected by an in situ treatment of the foil surface before NW growth, depends on the crystallinity of the native oxide. Direct growth on the as-received foils results in the formation of ensembles of nearly randomly oriented NWs due to the strong roughening of the surface induced by chemical reactions between the impinging elements and Ti. Surface nitridation preceding the NW growth is found to reduce this roughening by transformation of the uppermost layers into TiN and TiO x N y species. These compounds are more stable against chemical reactions and facilitate the growth of uniformly oriented GaN NW ensembles on the surface of the individual grains of the polycrystalline Ti foils. If an amorphous oxide layer is present at the foil surface, vertically oriented NWs are obtained all across the substrate because this layer blocks the transfering of the epitaxial information from the underlying grains. The control of NW orientation and the understanding behind the achievement of vertically oriented NWs obtained in this study represent an important step towards the realization of GaN NW-based bendable devices on polycrystalline metal foils.

  10. Effect of surface roughness, chemical composition, and native oxide crystallinity on the orientation of self-assembled GaN nanowires on Ti foils

    NASA Astrophysics Data System (ADS)

    Calabrese, G.; Pettersen, S. V.; Pfüller, C.; Ramsteiner, M.; Grepstad, J. K.; Brandt, O.; Geelhaar, L.; Fernández-Garrido, S.

    2017-10-01

    We report on plasma-assisted molecular beam epitaxial growth of almost randomly oriented, uniformly tilted, and vertically aligned self-assembled GaN nanowires (NWs), respectively, on different types of polycrystalline Ti foils. The NW orientation with respect to the substrate normal, which is affected by an in situ treatment of the foil surface before NW growth, depends on the crystallinity of the native oxide. Direct growth on the as-received foils results in the formation of ensembles of nearly randomly oriented NWs due to the strong roughening of the surface induced by chemical reactions between the impinging elements and Ti. Surface nitridation preceding the NW growth is found to reduce this roughening by transformation of the uppermost layers into TiN and TiO x N y species. These compounds are more stable against chemical reactions and facilitate the growth of uniformly oriented GaN NW ensembles on the surface of the individual grains of the polycrystalline Ti foils. If an amorphous oxide layer is present at the foil surface, vertically oriented NWs are obtained all across the substrate because this layer blocks the transfering of the epitaxial information from the underlying grains. The control of NW orientation and the understanding behind the achievement of vertically oriented NWs obtained in this study represent an important step towards the realization of GaN NW-based bendable devices on polycrystalline metal foils.

  11. Molecular beam epitaxy-grown Bi4Te3 nanowires

    NASA Astrophysics Data System (ADS)

    Wang, G.; Lok, S. K.; Wong, G. K. L.; Sou, I. K.

    2009-12-01

    With Au nanoparticles as the catalyst, the formation of Bi4Te3 nanowires was achieved at an optimized substrate temperature of around 330 °C. We found two growth mechanisms for the nanowires: a self-assembled growth mode through islands as the seed and a vapor-solid-solid growth mode through the assistance of Au catalyst nanoparticles, the decisive factor for which was identified as the density of the Au nanoparticles.

  12. Ultralow thermal conductivity of silicon nanowire arrays by molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Zhang, Ting; Xiong, Xue; Liu, Meng; Cheng, Guoan; Zheng, Ruiting; Xu, Ju; Wei, Lei

    2017-02-01

    We investigate the thermal conductivities of silicon nanowires (SiNWs) and their arrays based on molecular dynamics simulations. It is found that diminishing diameter, roughing surface and doping impurity of SiNWs can reduce their thermal conductivities by two or three orders of magnitude compared with that of bulk silicon crystals due to the strong phonon boundary and phonon impurity scattering. The simulated thermal conductivities of SiNW arrays demonstrate that arraying nanowires can further lower the thermal conductivity owing to the laterally-coupled effect, and the thermal conductivity of arrays decreases notably with the increased nanowire volume fraction, resulting in an ultralow thermal conductivity for the doped SiNW arrays with rough surfaces, which provides theoretical guidance of thermal management for semiconductor nanowire based microelectronic and thermoelectric devices.

  13. Electronic and structural properties of rhombohedral [1 1 1] and [1 1 0] oriented ultra-thin bismuth nanowires.

    PubMed

    Ansari, Lida; Gity, Farzan; Greer, James C

    2017-02-15

    Structures and electronic properties of rhombohedral [1 1 1] and [1 1 0] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve estimates for the band gap the GW approximation is applied. The [1 1 1] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states, whereas the surfaces of the [1 1 0] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [1 1 1] nanowires occurs at larger critical dimensions than for the [1 1 0] nanowires. For the [1 1 1] oriented nanowires it is predicted that a band gap of ~0.5 eV can be formed at a diameter of approximately 6 nm, whereas for the [1 1 0] oriented nanowires a diameter of approximately 3 nm is required to achieve a similar band gap energy. The GW correction is also applied to estimates of the electron affinity, ionisation potentials and work functions for both orientations of the nanowires for various diameters below 5 nm. The magnitude of the energy band gaps that arise in bismuth at critical dimensions of a few nanometers are of the same order as for conventional bulk semiconductors.

  14. Electronic and structural properties of rhombohedral [1 1 1] and [1 1 0] oriented ultra-thin bismuth nanowires

    NASA Astrophysics Data System (ADS)

    Ansari, Lida; Gity, Farzan; Greer, James C.

    2017-02-01

    Structures and electronic properties of rhombohedral [1 1 1] and [1 1 0] bismuth nanowires are calculated with the use of density functional theory. The formation of an energy band gap from quantum confinement is studied and to improve estimates for the band gap the GW approximation is applied. The [1 1 1] oriented nanowires require surface bonds to be chemically saturated to avoid formation of metallic surface states, whereas the surfaces of the [1 1 0] nanowires do not support metallic surface states. It is found that the onset of quantum confinement in the surface passivated [1 1 1] nanowires occurs at larger critical dimensions than for the [1 1 0] nanowires. For the [1 1 1] oriented nanowires it is predicted that a band gap of ~0.5 eV can be formed at a diameter of approximately 6 nm, whereas for the [1 1 0] oriented nanowires a diameter of approximately 3 nm is required to achieve a similar band gap energy. The GW correction is also applied to estimates of the electron affinity, ionisation potentials and work functions for both orientations of the nanowires for various diameters below 5 nm. The magnitude of the energy band gaps that arise in bismuth at critical dimensions of a few nanometers are of the same order as for conventional bulk semiconductors.

  15. CdS/CdSe cosensitized oriented single-crystalline TiO2 nanowire array for solar cell application

    NASA Astrophysics Data System (ADS)

    Li, Ming; Liu, Yong; Wang, Hai; Shen, Hui; Zhao, Wenxia; Huang, Hong; Liang, Chaolun

    2010-11-01

    Vertically oriented single-crystalline TiO2 nanowires array was grown on transparent conductive oxide glass substrate, and then CdS and CdSe quantum dots (QDs) were deposited on nanowires to form a TiO2/CdS/CdSe core-shell structure films. The optical properties of films with different layers of QDs were compared. The QD sensitized solar cells (QD-SSCs) were assembled and the effect of coating cycles of QDs on the photovoltaic performance was investigated. Under optimum parameters, QD-SSCs assembled with 5 μm thick TiO2 nanowires film exhibited a short-circuit current density of 7.92 mA cm-2, an open-circuit voltage of 0.40 V, and a power conversion efficiency of 1.14%.

  16. Electronic structures of [1 1 1]-oriented free-standing InAs and InP nanowires.

    PubMed

    Liao, Gaohua; Luo, Ning; Chen, Ke-Qiu; Xu, H Q

    2016-04-06

    We report on a theoretical study of the electronic structures of the [1 1 1]-oriented, free-standing, zincblende InAs and InP nanowires with hexagonal cross sections by means of an atomistic sp(3)s*, spin-orbit interaction included, nearest-neighbor, tight-binding method. The band structures and the band state wave functions of these nanowires are calculated and the symmetry properties of the bands and band states are analyzed based on the C(3v) double point group. It is shown that all bands of these nanowires are doubly degenerate at the Γ-point and some of these bands will split into non-degenerate bands when the wave vector k moves away from the Γ-point as a manifestation of spin-splitting due to spin-orbit interaction. It is also shown that the lower conduction bands of these nanowires all show simple parabolic dispersion relations, while the top valence bands show complex dispersion relations and band crossings. The band state wave functions are presented by the spatial probability distributions and it is found that all the band states show 2π/3-rotation symmetric probability distributions. The effects of quantum confinement on the band structures of the [1 1 1]-oriented InAs and InP nanowires are also examined and an empirical formula for the description of quantization energies of the lowest conduction band and the highest valence band is presented. The formula can simply be used to estimate the enhancement of the band gaps of the nanowires at different sizes as a result of quantum confinement.

  17. Growth map for Ga-assisted growth of GaAs nanowires on Si(111) substrates by molecular beam epitaxy.

    PubMed

    Bastiman, Faebian; Küpers, Hanno; Somaschini, Claudio; Geelhaar, Lutz

    2016-03-04

    For the Ga-assisted growth of GaAs nanowires on Si(111) substrates by molecular beam epitaxy, growth temperature, As flux, and Ga flux have been systematically varied across the entire window of growth conditions that result in the formation of nanowires. A range of GaAs structures was observed, progressing from pure Ga droplets under negligible As flux through horizontal nanowires, tilted nanowires, vertical nanowires, and nanowires without droplets to crystallites as the As flux was increased. Quantitative analysis of the resulting sample morphology was performed in terms of nanowire number and volume density, number yield and volume yield of vertical nanowires, diameter, length, as well as the number and volume density of parasitic growth. The result is a growth map that comprehensively describes all nanowire and parasitic growth morphologies and hence enables growth of nanowire samples in a predictive manner. Further analysis indicates the combination of global Ga flux and growth temperature determines the total density of all objects, whereas the global As/Ga flux ratio independently determines the resultant sample morphology. Several dependencies observed here imply that all objects present on the substrate surface, i.e. both nanowires and parasitic structures, originate from Ga droplets.

  18. Electric conductivity-tunable transparent flexible nanowire-filled polymer composites: orientation control of nanowires in a magnetic field.

    PubMed

    Nagai, Takayuki; Aoki, Nobuyuki; Ochiai, Yuichi; Hoshino, Katsuyoshi

    2011-07-01

    Cobalt compound nanowires were dispersed in a transparent nonconductive polymer film by merely stirring, and the film's transparency and electrical conductivity were examined. This composite film is a unique system in which the average length of the nanowires exceeds the film's thickness. Even in such a system, a percolation threshold existed for the electric conductivity in the direction of the film thickness, and the value was 0.18 vol%. The electric conductivity value changed from ∼1 × 10(-12) S/cm to ∼1 × 10(-3) S/cm when the volume fraction exceeded the threshold. The electric conductivity apparently followed the percolation model until the volume fraction of the nanowires was about 0.45 vol %. The visible light transmission and electric conductivity of the composite film of about 1 vol % nanowires were 92% and 5 × 10(-3) S/cm, respectively. Moreover, the electric conductivity in the direction parallel to the film surface did not depend on the amount of the dispersed nanowires, and its value was about 1 × 10(-14) S/cm. Even in a weak magnetic field of about 100 mT, the nanowires were aligned in a vertical and parallel direction to the film surface, and the electric conductivity of each aligned composite film was 2.0 × 10(-2) S/cm and 2.1 × 10(-12) S/cm. The relation between the average wire length and the electric conductivity was examined, and the effect of the magnetic alignment on that relation was also examined.

  19. Bandgap Tuning of GaAs/GaAsSb Core-Shell Nanowires Grown by Molecular Beam Epitaxy

    DTIC Science & Technology

    2015-09-21

    SECURITY CLASSIFICATION OF: Semiconductor nanowires have been identified as a viable technology for next-generation infrared (IR) photodetectors with... nanowires , by varying the Sb content using Ga-assisted molecular beam epitaxy. An increase in Sb content leads to strain accumulation in shell...manifesting in rough surface morphology, multifaceted growths, curved nanowires , and deterioration in the 1. REPORT DATE (DD-MM-YYYY) 4. TITLE AND SUBTITLE

  20. Relative intermolecular orientation probed via molecular heat transport.

    PubMed

    Chen, Hailong; Bian, Hongtao; Li, Jiebo; Wen, Xiewen; Zheng, Junrong

    2013-07-25

    In this work, through investigating a series of liquid, glassy, and crystalline samples with ultrafast multiple-mode 2D IR and IR transient absorption methods, we demonstrated that the signal anisotropy of vibrational relaxation-induced heat effects is determined by both relative molecular orientations and molecular rotations. If the relative molecular orientations are randomized or molecular rotations are fast compared to heat transfer, the signal anisotropy of heat effects is zero. If the relative molecular orientations are anisotropic and the molecular rotations are slow, the signal anisotropy of heat effects can be nonzero, which is determined by the relative orientations of the energy source mode and the heat sensor mode within the same molecule and in different molecules. We also demonstrated that the correlation between the anisotropy value of heat signal and the relative molecular orientations can be quantitatively calculated.

  1. Depth analysis of molecular orientation induced by nanoimprint graphoepitaxy

    NASA Astrophysics Data System (ADS)

    Okada, Makoto; Fujii, Ryosuke; Haruyama, Yuichi; Ono, Hiroshi; Kawatsuki, Nobuhiro; Matsui, Shinji

    2017-04-01

    The nanoimprint process is a useful technique for the fabrication of various nanostructures on functional materials without the use of any etching processes. We previously confirmed that the molecular orientation of a photo-crosslinkable liquid crystalline polymer (PLCP) was induced by nanoimprinting using a process called nanoimprint graphoepitaxy. In this work, we repeat the previous O2 reactive ion etching processing and molecular orientation evaluation to examine the depth profile of the unidirectional molecular orientation that is induced by nanoimprint graphoepitaxy. The results obtained indicate that the initial PLCP film thickness affects the resulting unidirectional molecular orientation depth.

  2. Patterned synthesis of laterally oriented ultrafine ZnO nanowires by controlled metalorganic chemical vapour deposition

    NASA Astrophysics Data System (ADS)

    Lee, D. H.; Son, K.; Park, W. I.

    2010-06-01

    Selective and lateral growth of ultrafine ZnO nanowires using metalorganic chemical vapour deposition (MOCVD) is studied. For selective growth of ZnO nanowires, oxidized substrates were patterned with Au layers, which serve as nucleation sites for the initial stage of ZnO nanowire growth. Electron microscopy confirmed that ultrafine ZnO nanowires with a mean diameter in the range ~8-20 nm were rooted selectively in Au patterns and laterally extended to several micrometres on the substrate surfaces. Interestingly, nanowire bridges crosslinking the Au patterns or nanowire link-ups were frequently observed, indicating that self-organizing electrical interconnects and optical networks can be developed. Photoresponse measurements showed that exposure of the ultrafine ZnO nanowires to ultraviolet light rapidly increased the channel current from ~150 to ~400 nA at an applied bias voltage of 1 V.

  3. Structure and Mechanical Characterization of DNA i-Motif Nanowires by Molecular Dynamics Simulation

    PubMed Central

    Singh, Raghvendra Pratap; Blossey, Ralf; Cleri, Fabrizio

    2013-01-01

    We studied the structure and mechanical properties of DNA i-motif nanowires by means of molecular dynamics computer simulations. We built up to 230 nm-long nanowires, based on a repeated TC5 sequence from crystallographic data, fully relaxed and equilibrated in water. The unusual C⋅C+ stacked structure, formed by four ssDNA strands arranged in an intercalated tetramer, is here fully characterized both statically and dynamically. By applying stretching, compression, and bending deformations with the steered molecular dynamics and umbrella sampling methods, we extract the apparent Young’s and bending moduli of the nanowire, as well as estimates for the tensile strength and persistence length. According to our results, the i-motif nanowire shares similarities with structural proteins, as far as its tensile stiffness, but is closer to nucleic acids and flexible proteins, as far as its bending rigidity is concerned. Furthermore, thanks to its very thin cross section, the apparent tensile toughness is close to that of a metal. Besides their yet to be clarified biological significance, i-motif nanowires may qualify as interesting candidates for nanotechnology templates, due to such outstanding mechanical properties. PMID:24359754

  4. Orientation effect on the giant stress field induced in a single Ni nanowire by mechanical strain

    NASA Astrophysics Data System (ADS)

    Melilli, G.; Madon, B.; Clochard, M.-C.; Wegrowe, J.-E.

    2015-09-01

    The change of magnetization (i.e. using the inverse magnetostriction effect) allows to investigate at the nanoscale the effects of thermoelastic and piezoelectric strain of an active track-etched β-PVDF polymer matrix on an electrodeposited single-contacted Ni nanowire (NW). The magnetization state is measured locally by anisotropic magnetoresitance (AMR). The ferromagnetic NW plays thus the role of a mechanical probe that allows the effects of mechanical strain to be characterized and described qualitatively and quantitatively. Due to the inverse magnetostriction, a quasi-disappearance of the AMR signal for a variation of the order of ΔT ≍ 10 K has been evidenced. The coplanarity of the vectors between the magnetization and the magnetic field is broken. A way of studying the effect of the geometry on such a system, is to fabricate oriented polymer templates. Track-etched polymer membranes were thus irradiated at various angles (αirrad) leading, after electrodeposition, to embedded Ni NWs of different orientations. With cylindrical Ni NW oriented normally to the template surface, the induced stress field in a single Ni NW was found 1000 time higher than the bulk stress field (due to thermal expansion measured on the PVDF). This amplification results in three nanoscopic effects: (1) a stress mismatch between the Ni NW and the membrane, (2) a non-negligible role of the surface tension on Ni NW Young modulus, and (3) the possibility of non-linear stress-strain law. When the Ni NWs are tilted from the polymer template surface normality, the induced stress field is reduced and the amplification phenomenon is less important.

  5. Electrical properties of InAs1-xSbx and InSb nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Thelander, Claes; Caroff, Philippe; Plissard, Sébastien; Dick, Kimberly A.

    2012-06-01

    Results of electrical characterization of Au nucleated InAs1-xSbx nanowires grown by molecular beam epitaxy are reported. An almost doubling of the extracted field effect mobility compared to reference InAs nanowires is observed for a Sb content of x = 0.13. Pure InSb nanowires on the other hand show considerably lower, and strongly diameter dependent, mobility values. Finally, InAs of wurtzite crystal phase overgrown with an InAs1-xSbx shell is found to have a substantial positive shift in threshold voltage compared to reference nanowires.

  6. Inhomogeneous Si-doping of gold-seeded InAs nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Rolland, Chloé; Caroff, Philippe; Coinon, Christophe; Wallart, Xavier; Leturcq, Renaud

    2013-06-01

    We have investigated in situ Si doping of InAs nanowires grown by molecular beam epitaxy from gold seeds. The effectiveness of n-type doping is confirmed by electrical measurements showing an increase of the electron density with the Si flux. We also observe an increase of the electron density along the nanowires from the tip to the base, attributed to the dopant incorporation on the nanowire facets whereas no detectable incorporation occurs through the seed. Furthermore, the Si incorporation strongly influences the lateral growth of the nanowires without giving rise to significant tapering, revealing the complex interplay between axial and lateral growth.

  7. Molecular beam epitaxy growth of Al-rich AlGaN nanowires for deep ultraviolet optoelectronics

    NASA Astrophysics Data System (ADS)

    Zhao, S.; Woo, S. Y.; Sadaf, S. M.; Wu, Y.; Pofelski, A.; Laleyan, D. A.; Rashid, R. T.; Wang, Y.; Botton, G. A.; Mi, Z.

    2016-08-01

    Self-organized AlGaN nanowires by molecular beam epitaxy have attracted significant attention for deep ultraviolet optoelectronics. However, due to the strong compositional modulations under conventional nitrogen rich growth conditions, emission wavelengths less than 250 nm have remained inaccessible. Here we show that Al-rich AlGaN nanowires with much improved compositional uniformity can be achieved in a new growth paradigm, wherein a precise control on the optical bandgap of ternary AlGaN nanowires can be achieved by varying the substrate temperature. AlGaN nanowire LEDs, with emission wavelengths spanning from 236 to 280 nm, are also demonstrated.

  8. Molecular beam epitaxial growth and characterization of Al(Ga)N nanowire deep ultraviolet light emitting diodes and lasers

    NASA Astrophysics Data System (ADS)

    Mi, Z.; Zhao, S.; Woo, S. Y.; Bugnet, M.; Djavid, M.; Liu, X.; Kang, J.; Kong, X.; Ji, W.; Guo, H.; Liu, Z.; Botton, G. A.

    2016-09-01

    We report on the detailed molecular beam epitaxial growth and characterization of Al(Ga)N nanowire heterostructures on Si and their applications for deep ultraviolet light emitting diodes and lasers. The nanowires are formed under nitrogen-rich conditions without using any metal catalyst. Compared to conventional epilayers, Mg-dopant incorporation is significantly enhanced in nearly strain- and defect-free Al(Ga)N nanowire structures, leading to efficient p-type conduction. The resulting Al(Ga)N nanowire LEDs exhibit excellent performance, including a turn-on voltage of ∼5.5 V for an AlN nanowire LED operating at 207 nm. The design, fabrication, and performance of an electrically injected AlGaN nanowire laser operating in the UV-B band is also presented.

  9. 97 percent light absorption in an ultrabroadband frequency range utilizing an ultrathin metal layer: randomly oriented, densely packed dielectric nanowires as an excellent light trapping scaffold.

    PubMed

    Ghobadi, Amir; Dereshgi, Sina Abedini; Hajian, Hodjat; Birant, Gizem; Butun, Bayram; Bek, Alpan; Ozbay, Ekmel

    2017-09-13

    In this paper, we propose a facile and large scale compatible design to obtain perfect ultrabroadband light absorption using metal-dielectric core-shell nanowires. The design consists of atomic layer deposited (ALD) Pt metal uniformly wrapped around hydrothermally grown titanium dioxide (TiO2) nanowires. It is found that the randomly oriented dense TiO2 nanowires can impose excellent light trapping properties where the existence of an ultrathin Pt layer (with a thickness of 10 nm) can absorb the light in an ultrabroadband frequency range with an amount near unity. Throughout this study, we first investigate the formation of resonant modes in the metallic nanowires. Our findings prove that a nanowire structure can support multiple longitudinal localized surface plasmons (LSPs) along its axis together with transverse resonance modes. Our investigations showed that the spectral position of these resonance peaks can be tuned with the length, radius, and orientation of the nanowire. Therefore, TiO2 random nanowires can contain all of these features simultaneously in which the superposition of responses for these different geometries leads to a flat perfect light absorption. The obtained results demonstrate that taking unique advantages of the ALD method, together with excellent light trapping of chemically synthesized nanowires, a perfect, bifacial, wide angle, and large scale compatible absorber can be made where an excellent performance is achieved while using less materials.

  10. Deformation behavior of metallic glass composites reinforced with shape memory nanowires studied via molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Şopu, D.; Stoica, M.; Eckert, J.

    2015-05-01

    Molecular dynamics simulations indicate that the deformation behavior and mechanism of Cu64Zr36 composite structures reinforced with B2 CuZr nanowires are strongly influenced by the martensitic phase transformation and distribution of these crystalline precipitates. When nanowires are distributed in the glassy matrix along the deformation direction, a two-steps stress-induced martensitic phase transformation is observed. Since the martensitic transformation is driven by the elastic energy release, the strain localization behavior in the glassy matrix is strongly affected. Therefore, the composite materials reinforced with a crystalline phase, which shows stress-induced martensitic transformation, represent a route for controlling the properties of glassy materials.

  11. Tunable nanowire Wheatstone bridge for improved sensitivity in molecular recognition

    NASA Astrophysics Data System (ADS)

    Maedler, Carsten; Erramilli, Shyamsunder; House, L. J.; Hong, M. K.; Mohanty, Pritiraj

    2013-01-01

    Poor signal-to-noise ratio (SNR) is a strong limiting factor on the performance of nanowire field-effect transistor based sensing of molecules. Using an advanced measurement configuration such as a Wheatstone bridge, electrical noise, drift due to fluid dynamics, thermal fluctuations, and chemical changes of the gate oxide can be drastically reduced. Here, a miniature Wheatstone bridge has been lithographically fabricated. All four arms consist of silicon nanowires, while two of the arms are tunable by top gate electrodes to enable balancing of the bridge. We have studied the performance of the bridge for pH detection. The signal-to-noise ratio is significantly enhanced in the balanced configuration, which also helps to reduce overall drift.

  12. Bismuth-induced phase control of GaAs nanowires grown by molecular beam epitaxy

    SciTech Connect

    Lu, Zhenyu; Chen, Pingping E-mail: luwei@mail.sitp.ac.cn; Shi, Suixing; Yao, Luchi; Zhou, Xiaohao; Lu, Wei E-mail: luwei@mail.sitp.ac.cn; Zhang, Zhi; Zhou, Chen; Zou, Jin

    2014-10-20

    In this work, the crystal structure of GaAs nanowires grown by molecular beam epitaxy has been tailored only by bismuth without changing the growth temperature and V/III flux ratio. The introduction of bismuth can lead to the formation of zinc-blende GaAs nanowires, while the removal of bismuth changes the structure into a 4H polytypism before it turns back to the wurtzite phase eventually. The theoretical calculation shows that it is the steadiest for bismuth to adsorb on the GaAs(111){sub B} surface compared to the liquid gold catalyst surface and the interface between the gold catalyst droplet and the nanowire, and these adsorbed bismuth could decrease the diffusion length of adsorbed Ga and hence the supersaturation of Ga in the gold catalyst droplet.

  13. Modulating Electrical Properties of InAs Nanowires via Molecular Monolayers.

    PubMed

    Cheung, Ho-Yuen; Yip, SenPo; Han, Ning; Dong, Goufa; Fang, Ming; Yang, Zai-xing; Wang, Fengyun; Lin, Hao; Wong, Chun-Yuen; Ho, Johnny C

    2015-07-28

    In recent years, InAs nanowires have been demonstrated with the excellent electron mobility as well as highly efficient near-infrared and visible photoresponse at room temperature. However, due to the presence of a large amount of surface states that originate from the unstable native oxide, the fabricated nanowire transistors are always operated in the depletion mode with degraded electron mobility, which is not energy-efficient. In this work, instead of the conventional inorganic sulfur or alkanethiol surface passivation, we employ aromatic thiolate (ArS(-))-based molecular monolayers with controllable molecular design and electron density for the surface modification of InAs nanowires (i.e., device channels) by simple wet chemistry. More importantly, besides reliably improving the device performances by enhancing the electron mobility and the current on-off ratio through surface state passivation, the device threshold voltage (VTh) can also be modulated by varying the para-substituent of the monolayers such that the molecule bearing electron-withdrawing groups would significantly shift the VTh towards the positive region for the enhancement mode device operation, in which the effect has been quantified by density functional theory calculations. These findings reveal explicitly the efficient modulation of the InAs nanowires' electronic transport properties via ArS(-)-based molecular monolayers, which further elucidates the technological potency of this ArS(-) surface treatment for future nanoelectronic device fabrication and circuit integration.

  14. Template synthesis of metal nanowires containing monolayer molecular junctions.

    PubMed

    Mbindyo, Jeremiah K N; Mallouk, Thomas E; Mattzela, James B; Kratochvilova, Irena; Razavi, Baharak; Jackson, Thomas N; Mayer, Theresa S

    2002-04-17

    Metal nanowires containing in-wire monolayer junctions of 16-mercaptohexanoic acid were made by replication of the pores of 70 nm diameter polycarbonate track etch membranes. Au was electrochemically deposited halfway through the 6 microm long pores and a self-assembled monolayer (SAM) of 16-mercaptohexadecanoic acid was adsorbed on top. A thin layer of Au was then electrolessly grown to form a metal cap separated from the bottom part of the wire by the SAM. Electron micrographs showed that the bottom and top metal segments were separated by an approximately 2 nm thick organic monolayer. Current-voltage measurements of individual nanowires confirmed that the organic monolayer could be contacted electrically on the top and bottom by the metal nanowire segments without introducing electrical short circuits that penetrate the monolayer. The values of the electrical properties for zero-bias resistance, current density, and breakdown field strength were within the ranges expected for a well-ordered alkanethiol SAM of this thickness.

  15. Using galvanostatic electroforming of Bi1–xSbx nanowires to control composition, crystallinity, and orientation

    SciTech Connect

    Limmer, Steven J.; Medlin, Douglas L.; Siegal, Michael P.; Hekmaty, Michelle; Lensch-Falk, Jessica L.; Erickson, Kristopher; Pillars, Jamin; Yelton, W. Graham

    2014-12-03

    When using galvanostatic pulse deposition, we studied the factors influencing the quality of electroformed Bi1–xSbx nanowires with respect to composition, crystallinity, and preferred orientation for high thermoelectric performance. Two nonaqueous baths with different Sb salts were investigated. The Sb salts used played a major role in both crystalline quality and preferred orientations. Nanowire arrays electroformed using an SbI3 -based chemistry were polycrystalline with no preferred orientation, whereas arrays electroformed from an SbCl3-based chemistry were strongly crystallographically textured with the desired trigonal orientation for optimal thermoelectric performance. From the SbCl3 bath, the electroformed nanowire arrays were optimized to have nanocompositional uniformity, with a nearly constant composition along the nanowire length. Moreover, nanowires harvested from the center of the array had an average composition of Bi0.75 Sb0.25. However, the nanowire compositions were slightly enriched in Sb in a small region near the edges of the array, with the composition approaching Bi0.70Sb0.30.

  16. Molecular dynamics simulation study of the melting and structural evolution of bimetallic Pd-Pt nanowires

    NASA Astrophysics Data System (ADS)

    Sankaranarayanan, Subramanian K. R. S.; Bhethanabotla, Venkat R.; Joseph, Babu

    2006-10-01

    Thermal characteristics of Pd-Pt metal nanowires with diameters ranging from 2.3 to 3.5nm and of several compositions were studied by molecular dynamics simulations utilizing the quantum Sutton-Chen potential function. Monte Carlo simulations employing bond order simulation model were used to generate the initial wire configurations that consisted of surface segregated structures. Melting temperatures were estimated based on variations in thermodynamic properties such as potential energy and specific heat capacity. We find that the melting transition temperatures for the nanowires are much lower than those of bulk alloys of the same composition and at least 100-200K higher than those of nanoclusters of the same diameter. Density distributions along the nanowire cross section and axis as well as components of shell-based diffusion coefficients and velocity autocorrelation functions were used to investigate the melting mechanism in these nanowires. Our findings indicate a surface-initiated melting process characterized by predominantly larger cross-sectional movement. This two-dimensional surface melting mechanism in nanowires differs from that in nanoclusters in which atomic movement is more isotropic in all three dimensions. Differences in the surface melting mechanism result in structural transformations from fcc-hcp type and lead to simulated phase boundaries for nanowires that are different from bulk alloys as well as from same-diameter nanoclusters. A composition and temperature dependent fcc-hcp transformation occurs prior to the melting transition in both nanowires and nanoclusters. Hcp phase occurs over a wider temperature range at Pd-rich compositions and a narrower range at low Pd compositions with the fcc-hcp and hcp-liquid transition temperatures showing a minimum at 25% Pt composition. In contrast, the nanoclusters exhibit a near-linear dependence of melting temperature on Pd composition with the hcp phase existing over a much narrower range of

  17. Piezoresistive effect of n-type 〈111〉-oriented Si nanowires under large tension/compression.

    PubMed

    Gao, Di; Yang, Zhenyu; Zheng, Lingli; Zheng, Kun

    2017-03-03

    Small-scale samples enable us to understand changes in physical properties under larger strain due to their higher tolerance to deformation. In this study, the piezoresistive character of n-type 〈111〉-oriented Si nanowires under large strain was measured during tensile and compressive deformations. The Si nanowires were directly cut from the wafer using top-down technology and deformed while capturing their electrical properties inside a transmission electron microscope. The experimental results show that both tensile and compressive deformation enhanced their electrical transport properties. The piezoresistance coefficient is of the same order of magnitude as its bulk counterpart, but half as large, which may be attributed to a larger strain magnitude. We also studied the circulatory characteristics and influence of electron beam radiation. This study provided new physical insights into piezoresistive effects under large strain.

  18. An optimal thermal evaporation synthesis of c-axis oriented ZnO nanowires with excellent UV sensing and emission characteristics

    SciTech Connect

    Saha, Tridib; Achath Mohanan, Ajay; Swamy, Varghese; Guo, Ningqun; Ramakrishnan, N.

    2016-05-15

    Highlights: • c-Axis alignment of ZnO nanowires was optimized using self-seeding thermal evaporation method. • Influence of purified air on the morphology and optoelectronic properties were studied. • Nanowires grown under optimal conditions exhibit strong UV emission peak in PL spectrum. • Optimized growth condition establish nanowires of excellent UV sensing characteristics - Abstract: Well-aligned (c-axis oriented) ZnO nanowire arrays were successfully synthesized on Si (1 0 0) substrates through an optimized self-seeding thermal evaporation method. An open-ended chemical vapor deposition (CVD) setup was used in the experiment, with argon and purified air as reaction gases. Epitaxial growth of c-axis oriented ZnO nanowires was observed for 5 sccm flow rate of purified air, whereas Zn/Zn suboxide layers and multiple polycrystalline layers of ZnO were obtained for absence and excess of purified air, respectively. Ultraviolet (UV) sensing and emission properties of the as-grown ZnO nanostructures were investigated through the current–voltage (I–V) characteristics of the nanowires under UV (λ = 365 nm) illumination of 8 mW/cm{sup 2} and using photoluminescence spectra. Nanowires grown under optimum flow of air emitted four times higher intensity of 380 nm UV light as well as exhibited 34 times higher UV radiation sensitivity compared to that of other nanostructures synthesized in this study.

  19. Characteristics of AlN/GaN nanowire Bragg mirror grown on (001) silicon by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Heo, Junseok; Zhou, Zifan; Guo, Wei; Ooi, Boon S.; Bhattacharya, Pallab

    2013-10-01

    GaN nanowires containing AlN/GaN distributed Bragg reflector (DBR) heterostructures have been grown on (001) silicon substrate by molecular beam epitaxy. A peak reflectance of 70% with normal incidence at 560 nm is derived from angle resolved reflectance measurements on the as-grown nanowire DBR array. The measured peak reflectance wavelength is significantly blue-shifted from the ideal calculated value. The discrepancy is explained by investigating the reflectance of the nanoscale DBRs with a finite difference time domain technique. Ensemble nanowire microcavities with In0.3Ga0.7N nanowires clad by AlN/GaN DBRs have also been characterized. Room temperature emission from the microcavity exhibits considerable linewidth narrowing compared to that measured for unclad In0.3Ga0.7N nanowires. The resonant emission is characterized by a peak wavelength and linewidth of 575 nm and 39 nm, respectively.

  20. InAs(1-x)P(x) nanowires grown by catalyst-free molecular-beam epitaxy.

    PubMed

    Isakov, I; Panfilova, M; Sourribes, M J L; Tileli, V; Porter, A E; Warburton, P A

    2013-03-01

    We report on the self-catalysed growth of vertical InAs(1-x)P(x) nanowires on Si(111) substrates by solid-source molecular-beam epitaxy. High-resolution transmission electron microscopy revealed the mixed wurtzite and zincblende structure of the nanowires. Energy dispersive x-ray spectroscopy and x-ray diffraction measurements were used to study the phosphorus content x in the InAs(1-x)P(x) nanowires, which was shown to be in the range 0-10 %. The dependence of phosphorus incorporation in the nanowires on the phosphorus flux in the growth chamber was investigated. The incorporation rate coefficients of As and P in InAs(1x)P(x) nanowires were found to be in the ratio 10 ± 5 to 1.

  1. Toward Discrete Axial p- n Junction Nanowire Light-Emitting Diodes Grown by Plasma-Assisted Molecular Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Brubaker, Matt D.; Blanchard, Paul T.; Schlager, John B.; Sanders, Aric W.; Herrero, Andrew M.; Roshko, Alexana; Duff, Shannon M.; Harvey, Todd E.; Bright, Victor M.; Sanford, Norman A.; Bertness, Kris A.

    2013-05-01

    In this paper we investigate axial p- n junction GaN nanowires grown by plasma-assisted molecular beam epitaxy (MBE), with particular attention to the effect of Mg doping on the device characteristics of individual nanowire light-emitting diodes (LEDs). We observe that a significant fraction of single-nanowire LEDs produce measurable band-gap electroluminescence when a thin AlGaN electron blocking layer (EBL) is incorporated into the device structure near the junction. Similar devices with no EBL typically yield below-detection-limit electroluminescence, despite diode-like I- V characteristics and optically measured internal quantum efficiencies (IQEs) of ˜1%. I- V measurements of the p-regions in p- n junction nanowires, as well as nanowires doped with Mg only, indicate low p-type conductivity and asymmetric Schottky-like p-contacts. These observations suggest that imbalanced carrier injection from the junction and p-contact can produce significant nonradiative losses.

  2. Thermal transport in porous Si nanowires from approach-to-equilibrium molecular dynamics calculations

    NASA Astrophysics Data System (ADS)

    Cartoixà, Xavier; Dettori, Riccardo; Melis, Claudio; Colombo, Luciano; Rurali, Riccardo

    2016-07-01

    We study thermal transport in porous Si nanowires (SiNWs) by means of approach-to-equilibrium molecular dynamics simulations. We show that the presence of pores greatly reduces the thermal conductivity, κ, of the SiNWs as long mean free path phonons are suppressed. We address explicitly the dependence of κ on different features of the pore topology—such as the porosity and the pore diameter—and on the nanowire (NW) geometry—diameter and length. We use the results of the molecular dynamics calculations to tune an effective model, which is capable of capturing the dependence of κ on porosity and NW diameter. The model illustrates the failure of Matthiessen's rule to describe the coupling between boundary and pore scattering, which we account for by the inclusion of an additional empirical term.

  3. Three-point bending analysis of doubly clamped silicon nanowire beams; Young's modulus, initial stress, and crystal orientation

    SciTech Connect

    Yaish, Y. E. Calahorra, Y.; Shtempluck, O.; Kotchetkov, V.

    2015-04-28

    A non-linear model is introduced describing the force-deflection relation of doubly clamped beams, including initial stress. Several approximations for the exact model are developed and compared, revealing the importance of considering the initial stress during 3-point bending measurements analysis. A novel approximation is found to be better than others, and both the exact model and this approximation are in perfect agreement with finite element simulations. A brief experimental example of silicon nanowires is presented in which the Young's modulus, the initial stress, and the crystallographic growth orientation are extracted by 3-point bending analysis.

  4. Temperature-pressure-induced solid-solid <100> to <110> reorientation in FCC metallic nanowire: a molecular dynamic study.

    PubMed

    Sutrakar, Vijay Kumar; Roy Mahapatra, D; Pillai, A C R

    2012-01-11

    Atomistic simulation of initial <100> oriented FCC Cu nanowires shows a novel coupled temperature-pressure dependent reorientation from <100> to <110> phase. A temperature-pressure-induced solid-solid <100> to <110> reorientation diagram is generated for Cu nanowire with varying cross-sectional sizes. A critical pressure is reported for Cu nanowires with varying cross-sectional sizes, above which an initial <100> oriented nanowire shows temperature independent reorientation into the <110> phase. The effect of surface stresses on the <100> to <110> reorientation is also studied. The results indicate that above a critical cross-sectional size for a given temperature-pressure, <100> to <110> reorientation is not possible. It is also reported here that for a given applied pressure, an increase in temperature is required for the <100> to <110> reorientation with increasing cross-sectional size of the nanowire. The temperature-pressure-induced solid-solid <100> to <110> reorientation diagram reported in the present paper could further be used as guidelines for controlling the reorientations/shape memory in nano-scale applications of FCC metallic nanowires.

  5. Control of liquid crystal molecular orientation using ultrasound vibration

    SciTech Connect

    Taniguchi, Satoki; Koyama, Daisuke; Matsukawa, Mami; Shimizu, Yuki; Emoto, Akira; Nakamura, Kentaro

    2016-03-07

    We propose a technique to control the orientation of nematic liquid crystals using ultrasound and investigate the optical characteristics of the oriented samples. An ultrasonic liquid crystal cell with a thickness of 5–25 μm and two ultrasonic lead zirconate titanate transducers was fabricated. By exciting the ultrasonic transducers, the flexural vibration modes were generated on the cell. An acoustic radiation force to the liquid crystal layer was generated, changing the molecular orientation and thus the light transmission. By modulating the ultrasonic driving frequency and voltage, the spatial distribution of the molecular orientation of the liquid crystals could be controlled. The distribution of the transmitted light intensity depends on the thickness of the liquid crystal layer because the acoustic field in the liquid crystal layer is changed by the orientational film.

  6. Orientation-and polarization-dependent optical properties of the single Ag nanowire/glass substrate system excited by the evanescent wave

    PubMed Central

    Yang, Mu; Cai, Wei; Wang, Yingjie; Sun, Mengtao; Shang, Guangyi

    2016-01-01

    As an important plasmon one-dimensional material, orientation- and polarization-dependent properties of single Ag nanowires/glass substrate system are investigated by a powerful platform consisting of evanescent wave excitation, near-/far-field detection and a micromanipulator. In the case of the nanowire perpendicular or parallel to the incident plane and p- ors-polarized evanescent excitation respectively, optical properties of the nanowire is measured both in far-field and near-field. For the perpendicular situation, scattering light from the nanowire shows strong dependence on the polarization of incident light, and period patterns along the nanowire are observed both in the near- and far-field. The chain of dipole model is used to explain the origin of this pattern. The discrepancy of the period patterns observed in the near- and far-field is due to the different resolution of the near- and far-field detection. For the parallel case, light intensity from the output end also depends on the incident polarization. Both experimental and calculation results show that the polarization dependence effect results from the surface plasmon excitation. These results on the orientation- and polarization-dependent properties of the Ag nanowires detected by the combination of near- and far-field methods would be helpful to understand interactions of one-dimensional plasmonic nanostructures with light. PMID:27157123

  7. Molecular dynamics simulation of temperature and strain rate effects on the elastic properties of bimetallic Pd-Pt nanowires

    NASA Astrophysics Data System (ADS)

    Sankaranarayanan, Subramanian K. R. S.; Bhethanabotla, Venkat R.; Joseph, Babu

    2007-10-01

    Molecular dynamics simulation is used to investigate the mechanical properties of infinitely long, cylindrical bimetallic Pd-Pt nanowires, with an approximate diameter of 1.4nm and two different compositions (25% and 50% Pt). The nanowires are subjected to uniaxial tensile strain along the [001] axis with varying strain rates of 0.05%ps-1 , and 5.0%ps-1 , at simulation temperatures of 50 and 300K , to study the effects of strain rates and thermal conditions on the deformation characteristics and mechanical properties of the nanowire. The deformation and rupture mechanism of these nanowires is explored in detail. Comparisons to the behavior exhibited by pure Pd and Pt nanowires of similar diameter are also made. The effect of lattice mismatch on the observed deformation modes in bimetallic nanowires is also discussed. Our simulations indicate that Pd-Pt alloy nanowires of various compositions, with little lattice mismatch between Pd and Pt atoms, undergo similar deformation and rupture upon uniaxial stretching. It is found that yielding and fracture mechanisms depend on the applied strain rate as well as atomic arrangement and temperature. At low temperature and strain rate, where crystal order and stability are highly preserved, the calculated stress-strain response of pure Pt and Pd as well as Pd-Pt alloy nanowires showed clear periodic, stepwise dislocation-relaxation behavior. Crystalline to amorphous transformation takes place at high strain rates (5%ps-1) , with amorphous melting detected at 300K . Deformation of nanowires at higher strain rates and low temperature, where the superplasticity characteristic is significantly enhanced, results in the development of a multishell helical structure. Mechanical properties of the alloy nanowires are significantly different from those of bulk phase and are dictated by the applied strain rate, temperature, alloy composition, as well as the structural rearrangement associated with nanowire elongation. We find that Young

  8. Thomas double scattering in electron capture from oriented molecular hydrogen

    SciTech Connect

    Alston, S.; Brennan, T.; Bannon, F.

    1995-11-01

    Electron capture from hydrogen molecules by protons is treated using the second-order Born approximation. Differential cross sections in an adiabatic-nuclei approximation for specific molecular orientations and for an equally weighted averaging over all orientations are presented for incident energies of 2.5 and 10 MeV. A Hartree-Fock molecular wave function and linearized-propagator approximation are employed to evaluate the amplitude. An approximate factoring of the amplitude into double scattering and diffraction (arising from the two target nuclei) components is shown to give a poor description of high-velocity molecular capture.

  9. Carbon nanoscrolls fabricated from graphene nanoribbons using Ni nanowire templates: A molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Huang, Senpeng; Wang, Bin; Feng, Min; Xu, Xiaoxuan; Cao, Xuewei; Wang, Yufang

    2015-04-01

    Carbon nanoscroll (CNS) has aroused the great interest of research in many fields, due to its unique properties and potential industrial applications. However, there exists a number of challenges in the fabrication of CNSs. A molecular dynamics simulation on the fabrication of a CNS from a graphene nanoribbon (GNR) initiated by a nickel nanowire (Ni NW) has been carried out. The GNR twines around the Ni NW and spontaneously scrolls into a CNS with an interlayer distance of 3.417 Å, forming a stable multi-layer core-shell construction. The Ni NW plays a role of activator in the process, resulting in the structural transition of the GNR from 2D to 3D phase. An irreversible deformation of the Ni NW occurs during the self-scrolling process, which induces the nanowire to be more stable.

  10. Study of electrical properties of single GaN nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Mozharov, A. M.; Komissarenko, F. E.; Vasiliev, A. A.; Bolshakov, A. D.; Moiseev, E. I.; Mukhin, M. S.; Cirlin, G. E.; Mukhin, I. S.

    2016-08-01

    Electrical properties of single GaN nanowires grown by means of molecular beam epitaxy with N-plasma source were studied. Ohmic contacts connected to single n-type GaN wires were produced by the combination of electron beam lithography, metal vacuum evaporation and rapid thermal annealing technique. The optimal annealing temperature to produce ohmic contacts implemented in the form of Ti/Al/Ti/Au stack has been determined. By means of 2-terminal measurement wiring diagram the conductivity of single NW has been obtained for NWs with different growth parameters. The method of MESFET measurement circuit layout of single GaN nanowires (NWs) has been developed. In accordance with performed numerical calculation, free carriers' concentration and mobility of single NWs could be independently estimated using MESFET structure.

  11. Orientational anisotropy in simulated vapor-deposited molecular glasses

    SciTech Connect

    Lyubimov, Ivan; Antony, Lucas; Walters, Diane M.; Ediger, M. D.; Rodney, David; Pablo, Juan J. de

    2015-09-07

    Enhanced kinetic stability of vapor-deposited glasses has been established for a variety of glass organic formers. Several recent reports indicate that vapor-deposited glasses can be orientationally anisotropic. In this work, we present results of extensive molecular simulations that mimic a number of features of the experimental vapor deposition process. The simulations are performed on a generic coarse-grained model and an all-atom representation of N,N′-bis(3-methylphenyl)-N,N′-diphenylbenzidine (TPD), a small organic molecule whose vapor-deposited glasses exhibit considerable orientational anisotropy. The coarse-grained model adopted here is found to reproduce several key aspects reported in experiments. In particular, the molecular orientation of vapor-deposited glasses is observed to depend on substrate temperature during deposition. For a fixed deposition rate, the molecular orientation in the glasses changes from isotropic, at the glass transition temperature, T{sub g}, to slightly normal to the substrate at temperatures just below T{sub g}. Well below T{sub g}, molecular orientation becomes predominantly parallel to the substrate. The all-atom model is used to confirm some of the equilibrium structural features of TPD interfaces that arise above the glass transition temperature. We discuss a mechanism based on distinct orientations observed at equilibrium near the surface of the film, which get trapped within the film during the non-equilibrium process of vapor deposition.

  12. Molecular dynamics simulations on PGLa using NMR orientational constraints.

    PubMed

    Sternberg, Ulrich; Witter, Raiker

    2015-11-01

    NMR data obtained by solid state NMR from anisotropic samples are used as orientational constraints in molecular dynamics simulations for determining the structure and dynamics of the PGLa peptide within a membrane environment. For the simulation the recently developed molecular dynamics with orientational constraints technique (MDOC) is used. This method introduces orientation dependent pseudo-forces into the COSMOS-NMR force field. Acting during a molecular dynamics simulation these forces drive molecular rotations, re-orientations and folding in such a way that the motional time-averages of the tensorial NMR properties are consistent with the experimentally measured NMR parameters. This MDOC strategy does not depend on the initial choice of atomic coordinates, and is in principle suitable for any flexible and mobile kind of molecule; and it is of course possible to account for flexible parts of peptides or their side-chains. MDOC has been applied to the antimicrobial peptide PGLa and a related dimer model. With these simulations it was possible to reproduce most NMR parameters within the experimental error bounds. The alignment, conformation and order parameters of the membrane-bound molecule and its dimer were directly derived with MDOC from the NMR data. Furthermore, this new approach yielded for the first time the distribution of segmental orientations with respect to the membrane and the order parameter tensors of the dimer systems. It was demonstrated the deuterium splittings measured at the peptide to lipid ratio of 1/50 are consistent with a membrane spanning orientation of the peptide.

  13. Formation of long single quantum dots in high quality InSb nanowires grown by molecular beam epitaxy.

    PubMed

    Fan, Dingxun; Li, Sen; Kang, N; Caroff, Philippe; Wang, L B; Huang, Y Q; Deng, M T; Yu, C L; Xu, H Q

    2015-09-28

    We report on realization and transport spectroscopy study of single quantum dots (QDs) made from InSb nanowires grown by molecular beam epitaxy (MBE). The nanowires employed are 50-80 nm in diameter and the QDs are defined in the nanowires between the source and drain contacts on a Si/SiO2 substrate. We show that highly tunable QD devices can be realized with the MBE-grown InSb nanowires and the gate-to-dot capacitance extracted in the many-electron regimes is scaled linearly with the longitudinal dot size, demonstrating that the devices are of single InSb nanowire QDs even with a longitudinal size of ∼700 nm. In the few-electron regime, the quantum levels in the QDs are resolved and the Landég-factors extracted for the quantum levels from the magnetotransport measurements are found to be strongly level-dependent and fluctuated in a range of 18-48. A spin-orbit coupling strength is extracted from the magnetic field evolutions of a ground state and its neighboring excited state in an InSb nanowire QD and is on the order of ∼300 μeV. Our results establish that the MBE-grown InSb nanowires are of high crystal quality and are promising for the use in constructing novel quantum devices, such as entangled spin qubits, one-dimensional Wigner crystals and topological quantum computing devices.

  14. Molecular Fraction Behavior in Oriented Polymers.

    DTIC Science & Technology

    1980-06-01

    remarkably well the experimental behavior and the reduced shift factors obtained correspond to WI. equation for superposition of low strain linear viscoelastic...the rupture ofa significant number of load-bearing tie chains during loading to fracture. Also, Zhurkov found departure fnn eqlation (I) for low ...than Mn"l Some error il tile determninatioii of Nin may also ha:Ie resulted from the presence of a low molecular weight component 59 (sonic kind of

  15. Effect of molecular adsorption on the electrical conductance of single au nanowires fabricated by electron-beam lithography and focused ion beam etching.

    PubMed

    Shi, Ping; Zhang, Jingying; Lin, Hsin-Yu; Bohn, Paul W

    2010-11-22

    Metal nanowires are one of the potential candidates for nanostructured sensing elements used in future portable devices for chemical detection; however, the optimal methods for fabrication have yet to be fully explored. Two routes to nanowire fabrication, electron-beam lithography (EBL) and focused ion beam (FIB) etching, are studied, and their electrical and chemical sensing properties are compared. Although nanowires fabricated by both techniques exhibit ohmic conductance, I-V characterization indicates that nanowires fabricated by FIB etching exhibit abnormally high resistivity. In addition, the resistivity of nanowires fabricated by FIB etching shows very low sensitivity toward molecular adsorption, while those fabricated by EBL exhibit sensitive resistance change upon exposure to solution-phase adsorbates. The mean grain sizes of nanowires prepared by FIB etching are much smaller than those fabricated by EBL, so their resistance is dominated by grain-boundary scattering. As a result, these nanowires are much less sensitive to molecular adsorption, which mediates nanowire conduction through surface scattering. The much reduced mean grain sizes of these nanowires correlate with Ga ion damage caused during the ion milling process. Thus, even though the nanowires prepared by FIB etching can be smaller than their EBL counterparts, their reduced sensitivity to adsorption suggests that nanowires produced by EBL are preferred for chemical and biochemical sensing applications.

  16. Numerical optimization of laser fields to control molecular orientation

    SciTech Connect

    Ben Haj-Yedder, A.; Auger, A.; Dion, C.M.; Cances, E.; Le Bris, C.; Keller, A.; Atabek, O.

    2002-12-01

    A thorough numerical illustration of an optimal control scenario dealing with the laser-induced orientation of a diatomic molecule (LiF) is presented. Special emphasis is laid on the definition of the various targets dealing with different orientation characteristics, identified in terms of maximum efficiency (i.e., molecular axis direction closest to the direction of the laser polarization vector), maximum duration (i.e., the time interval during which this orientation is maintained), or of a compromise between efficiency and duration. Excellent postpulse orientation is achieved by sudden, intense pulses. Thermal effects are also studied with an extension of the control scenarios to Boltzmann averaged orientation dynamics at T=5 K.

  17. The effect of substrate type on SiC nanowire orientation.

    PubMed

    Attolini, Giovanni; Rossi, Francesca; Bosi, Matteo; Watts, Bernard Enrico; Salviati, Giancarlo

    2011-05-01

    beta-SiC nanowires were synthesized on different monocrystalline substrates: Si (001), Si (111), 3C-SiC (001), 4H-SiC (0001), 6H-SiC (0001). The SiC nanowire growth was carried out using a Chemical Vapor Deposition method, with silane and propane diluted in hydrogen (3%) as precursors. The deposition was performed at atmospheric pressure and at 1100 degrees C, after dewetting of the Ni catalyst, which had been previously evaporated onto the substrate, to induce 1D growth according to a VLS process. The crystal structure of the nanowires, as determined by X-ray diffraction and High Resolution Transmission Electron Microscopy, corresponds to 3C-SiC polytype growing along a (111) direction, irrespective of the substrate. The occurrence of (111) stacking faults was observed, partly reduced for samples grown on 3C-SiC substrate. The growth on (111) substrate allowed to achieve a good vertical alignment of the nanowires, as investigated by Scanning Electron Microscopy. High Angle Annular Dark Field imaging and Energy Dispersive X-Ray spectroscopy were performed to study the catalyst particle on top of the wires and showed the formation of a nickel-silicon alloy.

  18. Phase-dependent field-free molecular alignment and orientation

    NASA Astrophysics Data System (ADS)

    Qin, Chaochao; Liu, Yuzhu; Zhang, Xianzhou; Gerber, Thomas

    2014-11-01

    We investigated the temporal behavior of alignment and orientation of LiH following a femtosecond laser pulse excitation comprising two fields at center frequencies ω and 2 ω (e.g., E (t )=E [cos(ω t )+cos(2 ω t +Φ ) ] ) shifted by a phase Φ . The effects of repopulations and rephasing of rotational states on the resulting alignment and orientation were evaluated. The population distribution of rotational states is only changed during the exciting pulse. Afterwards the established rotational state distribution is maintained in the absence of collisions. The phases of rotational states play the most crucial role in determining the time evolution of molecular alignment and orientation. Equal alignment and rotational populations are obtained when the phases are chosen Φ =0 and Φ =π . However, orientation is different due to the fact that in the case Φ =π the mutual phases of even rotation states are not changed but the phases of odd rotational states are shifted by π , comparing with that of Φ =0 . The effect of temperature on molecular orientation was also addressed. It was shown that an efficient field-free molecular orientation can be observed even at room temperature.

  19. Germanium doping of self-assembled GaN nanowires grown by plasma-assisted molecular beam epitaxy

    SciTech Connect

    Schörmann, Jörg; Hille, Pascal; Schäfer, Markus; Müßener, Jan; Becker, Pascal; Klar, Peter J.; Hofmann, Detlev M.; Teubert, Jörg; Eickhoff, Martin; Kleine-Boymann, Matthias; Rohnke, Marcus; Mata, Maria de la; Arbiol, Jordi

    2013-09-14

    Germanium doping of GaN nanowires grown by plasma-assisted molecular beam epitaxy on Si(111) substrates is studied. Time of flight secondary ion mass spectrometry measurements reveal a constant Ge-concentration along the growth axis. A linear relationship between the applied Ge-flux and the resulting ensemble Ge-concentration with a maximum content of 3.3×10{sup 20} cm{sup −3} is extracted from energy dispersive X-ray spectroscopy measurements and confirmed by a systematic increase of the conductivity with Ge-concentration in single nanowire measurements. Photoluminescence analysis of nanowire ensembles and single nanowires reveals an exciton localization energy of 9.5 meV at the neutral Ge-donor. A Ge-related emission band at energies above 3.475 eV is found that is assigned to a Burstein-Moss shift of the excitonic emission.

  20. Germanium doping of self-assembled GaN nanowires grown by plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Schörmann, Jörg; Hille, Pascal; Schäfer, Markus; Müßener, Jan; Becker, Pascal; Klar, Peter J.; Kleine-Boymann, Matthias; Rohnke, Marcus; de la Mata, Maria; Arbiol, Jordi; Hofmann, Detlev M.; Teubert, Jörg; Eickhoff, Martin

    2013-09-01

    Germanium doping of GaN nanowires grown by plasma-assisted molecular beam epitaxy on Si(111) substrates is studied. Time of flight secondary ion mass spectrometry measurements reveal a constant Ge-concentration along the growth axis. A linear relationship between the applied Ge-flux and the resulting ensemble Ge-concentration with a maximum content of 3.3×1020 cm-3 is extracted from energy dispersive X-ray spectroscopy measurements and confirmed by a systematic increase of the conductivity with Ge-concentration in single nanowire measurements. Photoluminescence analysis of nanowire ensembles and single nanowires reveals an exciton localization energy of 9.5 meV at the neutral Ge-donor. A Ge-related emission band at energies above 3.475 eV is found that is assigned to a Burstein-Moss shift of the excitonic emission.

  1. Improved control over spontaneously formed GaN nanowires in molecular beam epitaxy using a two-step growth process.

    PubMed

    Zettler, J K; Corfdir, P; Geelhaar, L; Riechert, H; Brandt, O; Fernández-Garrido, S

    2015-11-06

    We investigate the influence of modified growth conditions during the spontaneous formation of GaN nanowires (NWs) on Si(111) in plasma-assisted molecular beam epitaxy. We find that a two-step growth approach, where the substrate temperature is increased during the nucleation stage, is an efficient method to gain control over the area coverage, average diameter, and coalescence degree of GaN NW ensembles. Furthermore, we also demonstrate that the growth conditions employed during the incubation time that precedes nanowire nucleation do not influence the properties of the final nanowire ensemble. Therefore, when growing GaN NWs at elevated temperatures or with low Ga/N ratios, the total growth time can be reduced significantly by using more favorable growth conditions for nanowire nucleation during the incubation time.

  2. Green luminescence of InGaN nanowires grown on silicon substrates by molecular beam epitaxy

    SciTech Connect

    Goodman, Kevin D.; Protasenko, Vladimir V.; Verma, Jai; Kosel, Thomas H.; Xing, Huili G.; Jena, Debdeep

    2011-04-15

    Indium gallium nitride nanowires show promise as being prime candidates for optical devices since they can be grown with band gaps spanning the visible spectra, while at the same time can be composed of stress free material. The goal of the work presented here was to obtain InGaN nanowires producing green emission at room temperature. Two growth recipes were found to yield InGaN nanowire growth on silicon substrates using plasma-assisted molecular beam epitaxy. At room temperature the photoluminescence (PL) of wire ensembles indeed peaked at 530 nm but, in addition, it was discovered that at low temperatures the emission often covered a broader (360-700 nm) spectrum. This broad optical range indicated indium content fluctuations in individual wires, wire-to-wire fluctuations, or a combination of the two. EDX measurements performed on single wires confirmed this hypothesis and correlated well with PL data. Low temperature PL studies of InGaN individual wires also revealed interwire and intrawire inhomogeneity of emission spectra stemming from a nonuniform indium distribution. The emission quantum yield for bright single wires was extracted to be more than 50% at 4 K. The findings suggest that the wire surfaces do not efficiently quench optical emission at low temperatures. These defect-free wires offer not only a potential path for green emitters, but also as integrated phosphors for broad spectral emission.

  3. Green luminescence of InGaN nanowires grown on silicon substrates by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Goodman, Kevin D.; Protasenko, Vladimir V.; Verma, Jai; Kosel, Thomas H.; Xing, Huili G.; Jena, Debdeep

    2011-04-01

    Indium gallium nitride nanowires show promise as being prime candidates for optical devices since they can be grown with band gaps spanning the visible spectra, while at the same time can be composed of stress free material. The goal of the work presented here was to obtain InGaN nanowires producing green emission at room temperature. Two growth recipes were found to yield InGaN nanowire growth on silicon substrates using plasma-assisted molecular beam epitaxy. At room temperature the photoluminescence (PL) of wire ensembles indeed peaked at 530 nm but, in addition, it was discovered that at low temperatures the emission often covered a broader (360-700 nm) spectrum. This broad optical range indicated indium content fluctuations in individual wires, wire-to-wire fluctuations, or a combination of the two. EDX measurements performed on single wires confirmed this hypothesis and correlated well with PL data. Low temperature PL studies of InGaN individual wires also revealed interwire and intrawire inhomogeneity of emission spectra stemming from a nonuniform indium distribution. The emission quantum yield for bright single wires was extracted to be more than 50% at 4 K. The findings suggest that the wire surfaces do not efficiently quench optical emission at low temperatures. These defect-free wires offer not only a potential path for green emitters, but also as integrated phosphors for broad spectral emission.

  4. Large deformation and amorphization of Ni nanowires under uniaxial strain: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Branício, Paulo S.; Rino, José-Pedro

    2000-12-01

    Molecular-dynamics simulations were employed to study deformations on nickel nanowires subjected to uniaxial strain at 300 K using a recently reported embedded-atom (many body) model potential. This embedded-atom model can reproduce exactly the experimental second-order and third-order elastic moduli as well as the phase stability, equation of state and phonon frequency spectra are also in good agreement with experiments. Strong influence was observed in the Young modulus and force constant due to surface effects when considering nanowires with different cross sections. Applying strain rates, from 0.05 to 15% ps-1, we found elastic behavior up to 11.5% strain with corresponding stress of 9.4 GPa. At low strain rates (<0.05% ps-1) the system passes through plastic deformations although keeping the crystalline structure. This ductile process is showed by several snapshots. At this low strain rate regime we observed that the nanowires shows superplasticity. For high strain rates (>=7% ps-1) the system changes continuously from crystalline to amorphous phase. Although this amorphization occurs with no use of liquid quenching or introduction of chemical or physical disorder, so being a different and interesting process, the amorphous resulted is unstable. We studied this instability monitoring the recrystallization process.

  5. Molecular alignment and orientation with a hybrid Raman scattering technique

    NASA Astrophysics Data System (ADS)

    Bustard, Philip J.; Lausten, R.; Sussman, Benjamin J.

    2012-11-01

    We demonstrate a scheme for the preparation of molecular alignment and angular momentum orientation using a hybrid combination of two limits of Raman scattering. First a weak, impulsive pump pulse initializes the system via the nonresonant dynamic Stark effect. Then, having overcome the influence of the vacuum fluctuations, an amplification pulse selectively enhances the initial coherences by transient stimulated Raman scattering, generating alignment and angular momentum orientation of molecular hydrogen. The amplitude and phase of the resulting coherent dynamics are experimentally probed, indicating an amplification factor of 4.5. An analytic theory is developed to model the dynamics.

  6. Correction: Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials

    NASA Astrophysics Data System (ADS)

    Rojo, Miguel Muñoz; Martín, Jaime; Grauby, Stéphane; Borca-Tasciuc, Theodorian; Dilhaire, Stefan; Martin-Gonzalez, Marisol

    2015-02-01

    Correction for `Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials' by Miguel Muñoz Rojo et al., Nanoscale, 2014, 6, 7858-7865.

  7. Study of processes of self-catalyzed growth of gaas crystal nanowires by molecular-beam epitaxy on modified Si (111) surfaces

    SciTech Connect

    Samsonenko, Yu. B. Cirlin, G. E.; Khrebtov, A. I.; Bouravleuv, A. D.; Polyakov, N. K.; Ulin, V. P.; Dubrovskii, V. G.; Werner, P.

    2011-04-15

    The processes of growth of self-catalyzed GaAs crystal nanowires on Si (111) surfaces modified by three different methods are studied. For the technology of production of the GaAs nanowires, molecular-beam epitaxy is used. It is found that, in the range of substrate temperatures between 610 and 630 Degree-Sign C, the surface density of nanowires and their diameter sharply increases, whereas the temperature dependence of the nanowire length exhibits a maximum at 610 Degree-Sign C. An increase in the temperature to 640 Degree-Sign C suppresses the formation of nanowires. The method that provides a means for the fabrication of purely cubic GaAs nanowires is described. A theoretical justification of the formation of the cubic phase in self-catalyzed GaAs nanowires is presented.

  8. Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation.

    PubMed

    Dutta, Amlan; Raychaudhuri, Arup Kumar; Saha-Dasgupta, Tanusri

    2016-01-01

    We study the thermal stability of hollow copper nanowires using molecular dynamics simulation. We find that the plasticity-mediated structural evolution leads to transformation of the initial hollow structure to a solid wire. The process involves three distinct stages, namely, collapse, recrystallization and slow recovery. We calculate the time scales associated with different stages of the evolution process. Our findings suggest a plasticity-mediated mechanism of collapse and recrystallization. This contradicts the prevailing notion of diffusion driven transport of vacancies from the interior to outer surface being responsible for collapse, which would involve much longer time scales as compared to the plasticity-based mechanism.

  9. Controlled in situ boron doping of short silicon nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Das Kanungo, Pratyush; Zakharov, Nikolai; Bauer, Jan; Breitenstein, Otwin; Werner, Peter; Goesele, Ulrich

    2008-06-01

    Epitaxial silicon nanowires (NWs) of short heights (˜280nm) on Si ⟨111⟩ substrate were grown and doped in situ with boron on a concentration range of 1015-1019cm-3 by coevaporation of atomic Si and B by molecular beam epitaxy. Transmission electron microscopy revealed a single-crystalline structure of the NWs. Electrical measurements of the individual NWs confirmed the doping. However, the low doped (1015cm-3) and medium doped (3×1016 and 1×1017cm-3) NWs were heavily depleted by the surface states while the high doped (1018 and 1019cm-3) ones showed volume conductivities expected for the corresponding intended doping levels.

  10. Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

    PubMed Central

    Raychaudhuri, Arup Kumar; Saha-Dasgupta, Tanusri

    2016-01-01

    Summary We study the thermal stability of hollow copper nanowires using molecular dynamics simulation. We find that the plasticity-mediated structural evolution leads to transformation of the initial hollow structure to a solid wire. The process involves three distinct stages, namely, collapse, recrystallization and slow recovery. We calculate the time scales associated with different stages of the evolution process. Our findings suggest a plasticity-mediated mechanism of collapse and recrystallization. This contradicts the prevailing notion of diffusion driven transport of vacancies from the interior to outer surface being responsible for collapse, which would involve much longer time scales as compared to the plasticity-based mechanism. PMID:26977380

  11. Vertically-oriented and tailored-shape electro catalytic metallic nanowires for galactosemia free-enzyme rapid diagnosis.

    PubMed

    García Carmona, Laura; González, María Cristina; Escarpa, Alberto

    2017-04-03

    Metallic catalytic nanowires such as nickel and copper nanowires (NWs) for electrochemical detection of carbohydrates involved in metabolic rare diseases are proposed. NWs were electrodeposited using a poly carbonate membrane template, which was cut with the desired shape, stuck in double-sided adhesive tape, pasted into a non-conductive substrate and in situ removed. This simple and versatile approach allowed to obtain NWs vertically oriented (v-NWs) which are contained in the double-sided adhesive tape becoming highly versatile. The high specific surface of working electrode in which the transduction is supported exclusively by the nanomaterial yielded a high analytical performance (extremely low fouling for galactose (RSD<2%; n=25). Likewise, v-NWs exhibited a superior analytical performance with respect to commercial sputtered thick film electrodes showing also a clear advantage related with the price as well as non-need clean room facilities. The analytical potency of the new approach was clearly demonstrated towards the fast and reliable diagnosis of galactosemia using precious newborn urine samples clinically diagnosed. These results revealed new opportunities for future free enzyme diagnosis and development of future point of cares.

  12. One-pot synthesis of ZnO nanowires and belts through orientation attachment mechanism

    NASA Astrophysics Data System (ADS)

    Hossain, Mohammad Kamal

    2017-01-01

    Zinc oxide (ZnO) is one of the promising materials for optoelectronics and advanced electronics-based device fabrication. Nanostructured features include further flavor to the applications as well due to inherent and unprecedented properties. With this view, a sol-gel route for the synthesis of nanostructured ZnO, such as nanoparticles, nanowires and nanobelts subsequently obtained in one-pot has been reported. The process includes synthesis of monodispersed nanoparticles that can find potential applications as gas sensing layers and transparent conducting layers. Hexagonal wurtzite crystal structure with cell constants, a = 3.2427 Ǻ and c = 5.1948 Ǻ was confirmed by X-ray diffraction. Strong preferential growth along {101} plane indicated the growth of ZnO crystallites along c-axis. Vibrational band for Zn-O stretching and deformation modes was confirmed by Fourier transform infrared absorption spectroscopy. A reasonably well-coverage of ZnO nanoparticles, ca. 1 × 107 nanoparticles/cm2 along with size distribution of (13.5 ± 9.0) nm diameter, was obtained by topographic observation of scanning electron microscopy. A series of scanning electron micrographs revealed that as-synthesized nanoparticles were further processed to obtain nanometric wires and belts under controlled conditions. The nanowires were formed from anisotropic agglomeration of nanometric particles, and the belts were formed by agglomeration of these nanometric wires into bundles. A close observation indicated that ZnO nanowires of diameter 40-50 nm were consisted of one to three constituent colloids. Control of these selective agglomeration processes is a key challenge for application of nanowires and belts into useful devices.

  13. Self-catalyzed growth of dilute nitride GaAs/GaAsSbN/GaAs core-shell nanowires by molecular beam epitaxy

    SciTech Connect

    Kasanaboina, Pavan Kumar; Ahmad, Estiak; Li, Jia; Iyer, Shanthi; Reynolds, C. Lewis; Liu, Yang

    2015-09-07

    Bandgap tuning up to 1.3 μm in GaAsSb based nanowires by incorporation of dilute amount of N is reported. Highly vertical GaAs/GaAsSbN/GaAs core-shell configured nanowires were grown for different N contents on Si (111) substrates using plasma assisted molecular beam epitaxy. X-ray diffraction analysis revealed close lattice matching of GaAsSbN with GaAs. Micro-photoluminescence (μ-PL) revealed red shift as well as broadening of the spectra attesting to N incorporation in the nanowires. Replication of the 4K PL spectra for several different single nanowires compared to the corresponding nanowire array suggests good compositional homogeneity amongst the nanowires. A large red shift of the Raman spectrum and associated symmetric line shape in these nanowires have been attributed to phonon localization at point defects. Transmission electron microscopy reveals the dominance of stacking faults and twins in these nanowires. The lower strain present in these dilute nitride nanowires, as opposed to GaAsSb nanowires having the same PL emission wavelength, and the observation of room temperature PL demonstrate the advantage of the dilute nitride system offers in the nanowire configuration, providing a pathway for realizing nanoscale optoelectronic devices in the telecommunication wavelength region.

  14. Steady-state and transient photoconductivity in c-axis GaN nanowires grown by nitrogen-plasma-assisted molecular beam epitaxy

    SciTech Connect

    Sanford, N. A.; Blanchard, P. T.; Bertness, K. A.; Mansfield, L.; Schlager, J. B.; Sanders, A. W.; Roshko, A.; Burton, B. B.; George, S. M.

    2010-02-15

    Analysis of steady-state and transient photoconductivity measurements at room temperature performed on c-axis oriented GaN nanowires yielded estimates of free carrier concentration, drift mobility, surface band bending, and surface capture coefficient for electrons. Samples grown (unintentionally n-type) by nitrogen-plasma-assisted molecular beam epitaxy primarily from two separate growth runs were examined. The results revealed carrier concentration in the range of (3-6)x10{sup 16} cm{sup -3} for one growth run, roughly 5x10{sup 14}-1x10{sup 15} cm{sup -3} for the second, and drift mobility in the range of 500-700 cm{sup 2}/(V s) for both. Nanowires were dispersed onto insulating substrates and contacted forming single-wire, two-terminal structures with typical electrode gaps of {approx_equal}3-5 {mu}m. When biased at 1 V bias and illuminated at 360 nm (3.6 mW/cm{sup 2}) the thinner ({approx_equal}100 nm diameter) nanowires with the higher background doping showed an abrupt increase in photocurrent from 5 pA (noise level) to 0.1-1 {mu}A. Under the same conditions, thicker (151-320 nm) nanowires showed roughly ten times more photocurrent, with dark currents ranging from 2 nA to 1 {mu}A. With the light blocked, the dark current was restored in a few minutes for the thinner samples and an hour or more for the thicker ones. The samples with lower carrier concentration showed similar trends. Excitation in the 360-550 nm range produced substantially weaker photocurrent with comparable decay rates. Nanowire photoconductivity arises from a reduction in the depletion layer via photogenerated holes drifting to the surface and compensating ionized surface acceptors. Simulations yielded (dark) surface band bending in the vicinity of 0.2-0.3 V and capture coefficient in the range of 10{sup -23}-10{sup -19} cm{sup 2}. Atomic layer deposition (ALD) was used to conformally deposit {approx_equal}10 nm of Al{sub 2}O{sub 3} on several devices. Photoconductivity, persistent

  15. Steady-state and transient photoconductivity in c-axis GaN nanowires grown by nitrogen-plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Sanford, N. A.; Blanchard, P. T.; Bertness, K. A.; Mansfield, L.; Schlager, J. B.; Sanders, A. W.; Roshko, A.; Burton, B. B.; George, S. M.

    2010-02-01

    Analysis of steady-state and transient photoconductivity measurements at room temperature performed on c-axis oriented GaN nanowires yielded estimates of free carrier concentration, drift mobility, surface band bending, and surface capture coefficient for electrons. Samples grown (unintentionally n-type) by nitrogen-plasma-assisted molecular beam epitaxy primarily from two separate growth runs were examined. The results revealed carrier concentration in the range of (3-6)×1016 cm-3 for one growth run, roughly 5×1014-1×1015 cm-3 for the second, and drift mobility in the range of 500-700 cm2/(V s) for both. Nanowires were dispersed onto insulating substrates and contacted forming single-wire, two-terminal structures with typical electrode gaps of ≈3-5 μm. When biased at 1 V bias and illuminated at 360 nm (3.6 mW/cm2) the thinner (≈100 nm diameter) nanowires with the higher background doping showed an abrupt increase in photocurrent from 5 pA (noise level) to 0.1-1 μA. Under the same conditions, thicker (151-320 nm) nanowires showed roughly ten times more photocurrent, with dark currents ranging from 2 nA to 1 μA. With the light blocked, the dark current was restored in a few minutes for the thinner samples and an hour or more for the thicker ones. The samples with lower carrier concentration showed similar trends. Excitation in the 360-550 nm range produced substantially weaker photocurrent with comparable decay rates. Nanowire photoconductivity arises from a reduction in the depletion layer via photogenerated holes drifting to the surface and compensating ionized surface acceptors. Simulations yielded (dark) surface band bending in the vicinity of 0.2-0.3 V and capture coefficient in the range of 10-23-10-19 cm2. Atomic layer deposition (ALD) was used to conformally deposit ≈10 nm of Al2O3 on several devices. Photoconductivity, persistent photoconductivity, and subgap photoconductivity of the coated nanowires were increased in all cases. TaN ALD coatings

  16. Molecular pathways regulating mitotic spindle orientation in animal cells

    PubMed Central

    Lu, Michelle S.; Johnston, Christopher A.

    2013-01-01

    Orientation of the cell division axis is essential for the correct development and maintenance of tissue morphology, both for symmetric cell divisions and for the asymmetric distribution of fate determinants during, for example, stem cell divisions. Oriented cell division depends on the positioning of the mitotic spindle relative to an axis of polarity. Recent studies have illuminated an expanding list of spindle orientation regulators, and a molecular model for how cells couple cortical polarity with spindle positioning has begun to emerge. Here, we review both the well-established spindle orientation pathways and recently identified regulators, focusing on how communication between the cell cortex and the spindle is achieved, to provide a contemporary view of how positioning of the mitotic spindle occurs. PMID:23571210

  17. Bridging Oriented Copper Nanowire-Graphene Composites for Solution-Processable, Annealing-Free, and Air-Stable Flexible Electrodes.

    PubMed

    Zhang, Wang; Yin, Zhenxing; Chun, Alvin; Yoo, Jeeyoung; Kim, Youn Sang; Piao, Yuanzhe

    2016-01-27

    One-dimensional flexible metallic nanowires (NWs) are of considerable interest for next-generation wearable devices. The unavoidable challenge for a wearable electrode is the assurance of high conductivity, flexibility, and durability with economically feasible materials and simple manufacturing processes. Here, we use a straightforward solvothermal method to prepare a flexible conductive material that contains reduced graphene oxide (RGO) nanosheets bridging oriented copper NWs. The GO-assistance route can successfully meet the criteria listed above and help the composite films maintain high conductivity and durable flexibility without any extra treatment, such as annealing or acid processes. The composite film exhibits a high electrical performance (0.808 Ω·sq(-1)) without considerable change over 30 days under ambient conditions. Moreover, the Cu NW-RGO composites can be deposited on polyester cloth as a lightweight wearable electrode with high durability and simple processability and are very promising for a wide variety of electronic devices.

  18. Prediction of phonon thermal transport in thin GaAs, InAs and InP nanowires by molecular dynamics simulations: influence of the interatomic potential.

    PubMed

    Carrete, J; Longo, R C; Gallego, L J

    2011-05-06

    A number of different potentials are currently being used in molecular dynamics simulations of semiconductor nanostructures. Confusion can arise if an inappropriate potential is used. To illustrate this point, we performed direct molecular dynamics simulations to predict the room temperature lattice thermal conductivity λ of thin GaAs, InAs and InP nanowires. In each case, simulations performed using the classical Harrison potential afforded values of λ about an order of magnitude smaller than those obtained using more elaborate potentials (an Abell-Tersoff, as parameterized by Hammerschmidt et al for GaAs and InAs, and a potential of Vashishta type for InP). These results will be a warning to those wishing to use computer simulations to orient the development of quasi-one-dimensional systems as heat sinks or thermoelectric devices.

  19. Synthesis and Magnetism of High Curie Temperature Prussian Blue Analogue Molecular Nanomagnet-Chromium Cyanide Molecule Nanowire Arrays

    NASA Astrophysics Data System (ADS)

    Zhou, Pingheng; Xue, Desheng; Yao, Jinli

    2009-03-01

    The goal to synthesize molecular nanomagnets that exhibit spontaneous magnetic ordering close to room temperature might enable one to apply them in the fields of magnetic memory devices and microelectronics. Chromium cyanide molecule nanowire arrays with diameters of about 50 nm and lengths up to 4μm have been synthesized by an electrodepositing technology based on anodizing anodic aluminum oxide films. Characterization measurements show that the oxidation state of the chromium ions in the chromium cyanide nanowires can be expressed as Cr^3+--CN--Cr^3+. Magnetic properties measurements indicate that the Curie temperature of chromium cyanide nanowire is 200 K, which is closer room temperature compared with current molecular nanomagnet systems.

  20. Misfit dislocation free InAs/GaSb core-shell nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Rieger, T.; Grützmacher, D.; Lepsa, M. I.

    2014-11-01

    In this report, we present the growth and structural analyses of broken gap InAs/GaSb core-shell nanowires by molecular beam epitaxy using an Au-free approach. Depending on the shell growth temperature, two distinct growth regimes for the GaSb shells are identified resulting in conformal or tapered shells. Morphological analyses reveal a dodecagonal nanowire cross-section after GaSb shell growth. Detailed transmission electron microscope investigations from different zone axes confirm that the small lattice mismatch of 0.6% allows the deposition of 40 nm thick GaSb shells free of misfit dislocations. Additionally, an abrupt interface from InAs to GaSb is found. These nanowires are suitable for future devices such as TFETs.In this report, we present the growth and structural analyses of broken gap InAs/GaSb core-shell nanowires by molecular beam epitaxy using an Au-free approach. Depending on the shell growth temperature, two distinct growth regimes for the GaSb shells are identified resulting in conformal or tapered shells. Morphological analyses reveal a dodecagonal nanowire cross-section after GaSb shell growth. Detailed transmission electron microscope investigations from different zone axes confirm that the small lattice mismatch of 0.6% allows the deposition of 40 nm thick GaSb shells free of misfit dislocations. Additionally, an abrupt interface from InAs to GaSb is found. These nanowires are suitable for future devices such as TFETs. Electronic supplementary information (ESI) available: Cross sectional shape along the nanowire axis, evolution of the cross sectional shape, comparison of the <110> and the <211> zone axis, HRTEM images, evolution of the GaSb platform ad multiple twinning induced defects in the GaSb platform. See DOI: 10.1039/c4nr05164e

  1. Decrease in thermal conductivity in polymeric P3HT nanowires by size-reduction induced by crystal orientation: new approaches towards thermal transport engineering of organic materials.

    PubMed

    Rojo, Miguel Muñoz; Martín, Jaime; Grauby, Stéphane; Borca-Tasciuc, Theodorian; Dilhaire, Stefan; Martin-Gonzalez, Marisol

    2014-07-21

    To date, there is no experimental characterization of thermal conductivity of semiconductor polymeric individual nanowires embedded in a matrix. This work reports on scanning thermal microscopy measurements in a 3ω configuration to determine how the thermal conductivity of individual nanowires made of a model conjugated polymer (P3HT) is modified when decreasing their diameters. We observe a reduction of thermal conductivity, from λNW = 2.29 ± 0.15 W K(-1) m(-1) to λNW = 0.5 ± 0.24 W K(-1) m(-1), when the diameter of nanowires is reduced from 350 nm to 120 nm, which correlates with the polymer crystal orientation measured by WAXS. Through this work, the foundations for future polymer thermal transport engineering are presented.

  2. Effect of cross-linking ultrahigh molecular weight polyethylene: Surface molecular orientation and wear characteristics

    SciTech Connect

    Sambasivan, Sharadha; Fischer, Daniel A.; Hsu, Stephen M.

    2007-07-15

    Molecular orientation at the surface layer of cross-linked ultrahigh molecular weight polyethylene (UHMWPE) has been examined. Molecular orientation has been shown to affect the wear resistance and surface mechanical properties of UHMWPE under biomechanical loading conditions. This study utilizes a nondestructive synchrotron based soft x-ray technique; near edge x-ray absorption fine structure at the carbon K-edge to examine the degree of surface molecular orientation of UHMWPE subjected to various cross-linking/sterilization techniques as a function of stress and wear. UHMWPE samples prepared under gamma irradiation, ethylene-oxide (EtO) treatment, and electron beam irradiation were worn in a wear tester systematically. Results suggest that the cross-linking resists surface orientation when the samples were under tensile and biomechanical stresses. The molecular orientation in the C-C chains in the polymer showed a monotonic decrease with an increase in gamma irradiation dosage levels. EtO sterilized samples showed more C-C chain orientation than the electron beam irradiated samples, but lower than the 30 kGy gamma irradiated samples. Ordered C-C chains in UHMWPE samples have been associated with more crystallinity or large strain plastic deformation of the polymer. Higher levels of gamma irradiation appear to induce cross-linking of C-C chains and render a polymer with more amorphous phase which resists orientation after wear and imparts wear resistance to the polymer.

  3. Nanowires formed by the co-assembly of a negatively charged low-molecular weight gelator and a zwitterionic polythiophene.

    PubMed

    Li, Feng; Palaniswamy, Ganesan; de Jong, Menno R; Aslund, Andreas; Konradsson, Peter; Marcelis, Antonius T M; Sudhölter, Ernst J R; Stuart, Martien A Cohen; Leermakers, Frans A M

    2010-06-21

    Conjugated organic nanowires have been prepared by co-assembling a carboxylate containing low-molecular weight gelator (LMWG) and an amino acid substituted polythiophene derivative (PTT). Upon introducing the zwitterionic polyelectrolyte PTT to a basic molecular solution of the organogelator, the negative charges on the LMWG are compensated by the positive charges of the PTT. As a result, nanowires form through co-assembly. These nanowires are visualized by both transmission electron microscopy (TEM) and atomic force microscopy (AFM). Depending on the concentration and ratio of the components these nanowires can be micrometers long. These measurements further suggest that the aggregates adopt a helical conformation. The morphology of these nanowires are studied with fluorescent confocal laser scanning microscopy (CLSM). The interactions between LMWG and PTT are characterized by steady-state and time-resolved fluorescence spectroscopy studies. The steady-state spectra indicate that the backbone of the PTT adopts a more planar and more aggregated conformation when interacting with LMWG. The time- resolved fluorescence decay studies confirm this interpretation.

  4. Electrical detection of dengue virus (DENV) DNA oligomer using silicon nanowire biosensor with novel molecular gate control.

    PubMed

    Nuzaihan M N, M; Hashim, U; Md Arshad, M K; Kasjoo, S R; Rahman, S F A; Ruslinda, A R; Fathil, M F M; Adzhri, R; Shahimin, M M

    2016-09-15

    In this paper, a silicon nanowire biosensor with novel molecular gate control has been demonstrated for Deoxyribonucleic acid (DNA) detection related to dengue virus (DENV). The silicon nanowire was fabricated using the top-down nanolithography approach, through nanostructuring of silicon-on-insulator (SOI) layers achieved by combination of the electron-beam lithography (EBL), plasma dry etching and size reduction processes. The surface of the fabricated silicon nanowire was functionalized by means of a three-step procedure involving surface modification, DNA immobilization and hybridization. This procedure acts as a molecular gate control to establish the electrical detection for 27-mers base targets DENV DNA oligomer. The electrical detection is based on the changes in current, resistance and conductance of the sensor due to accumulation of negative charges added by the immobilized probe DNA and hybridized target DNA. The sensitivity of the silicon nanowire biosensors attained was 45.0µAM(-1), which shows a wide-range detection capability of the sensor with respect to DNA. The limit of detection (LOD) achieved was approximately 2.0fM. The demonstrated results show that the silicon nanowire has excellent properties for detection of DENV with outstanding repeatability and reproducibility performances. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. A first principle study on oxygen adsorption and incorporation on the (1 0 0) surface of [0 0 1]-oriented GaN nanowires

    NASA Astrophysics Data System (ADS)

    Xia, Sihao; Liu, Lei; Diao, Yu; Kong, Yike

    2017-03-01

    Oxygen adsorption and incorporation on the (1 0 0) surface of [0 0 1]-oriented GaN nanowires are investigated through first principle calculations. Results indicate that oxygen adsorption configurations are much more stable than oxygen incorporation. With increasing oxygen coverage, the surface of oxygen adsorption and incorporation become more stable and unstable, respectively. Besides, significant changes of surface structure occur after oxidization of the GaN nanowire surface, including changes in the thickness of the topmost bilayer and the distance between layers. Relaxation of the surface structure becomes more prominent with increasing oxygen coverage for adsorption cases. Compared with adsorption, the effects of incorporation on surface structures are more obvious. Furthermore, by comparison of band structures of clean surfaces and oxidized surfaces, both oxygen adsorption and incorporation will hinder the escape of photoelectrons due to the increase of the work function. Ultimately, calculations of Mulliken charge distribution and bond population suggest that oxygen impurities can obtain electrons from surface gallium and nitrogen atoms. The bond population of Ga–O for adsorption cases are larger than Ga–N, while that of incorporation cases is lower than Ga–N. All these calculations indicate that oxidization has significant impacts on the surface characteristics of GaN nanowires. Surface oxidization is harmful to the photoemission of optoelectronic devices fabricated by GaN nanowires. These results may contribute to the removal of surface oxides of GaN nanowires, but require further verification by experimental observation.

  6. Surface chemical reactions induced by well-controlled molecular beams: translational energy and molecular orientation control.

    PubMed

    Okada, Michio

    2010-07-07

    I review our recent studies of chemical reactions on single-crystalline Cu and Si surfaces induced by hyperthermal oxygen molecular beams and by oriented molecular beams, respectively. Studies of oxide formation on Cu induced by hyperthermal molecular beams suggest that the translational energy of the incident molecules plays a significant role. The use of hyperthermal molecular beams enables us to open up new chemical reaction paths, and to develop new methods for the fabrication of thin films. Oriented molecular beams also demonstrate the possibility for controlling surface chemical reactions by varying the orientation of the incident molecules. The steric effects found on Si surfaces hint at new ways of achieving material fabrication on Si surfaces. Controlling the initial conditions of incoming molecules is a powerful tool for creating new materials on surfaces with well-controlled chemical reactions. © 2010 IOP Publishing Ltd

  7. Effect of AlN buffer layer properties on the morphology and polarity of GaN nanowires grown by molecular beam epitaxy

    SciTech Connect

    Brubaker, Matt D.; Rourke, Devin M.; Sanford, Norman A.; Bertness, Kris A.; Bright, Victor M.

    2011-09-01

    Low-temperature AlN buffer layers grown via plasma-assisted molecular beam epitaxy on Si (111) were found to significantly affect the subsequent growth morphology of GaN nanowires. The AlN buffer layers exhibited nanowire-like columnar protrusions, with their size, shape, and tilt determined by the AlN V/III flux ratio. GaN nanowires were frequently observed to adopt the structural characteristics of the underlying AlN columns, including the size and the degree of tilt. Piezoresponse force microscopy and polarity-sensitive etching indicate that the AlN films and the protruding columns have a mixed crystallographic polarity. Convergent beam electron diffraction indicates that GaN nanowires are Ga-polar, suggesting that Al-polar columns are nanowire nucleation sites for Ga-polar nanowires. GaN nanowires of low density could be grown on AlN buffers that were predominantly N-polar with isolated Al-polar columns, indicating a high growth rate for Ga-polar nanowires and suppressed growth of N-polar nanowires under typical growth conditions. AlN buffer layers grown under slightly N-rich conditions (V/III flux ratio = 1.0 to 1.3) were found to provide a favorable growth surface for low-density, coalescence-free nanowires.

  8. Shadowing and mask opening effects during selective-area vapor-liquid-solid growth of InP nanowires by metalorganic molecular beam epitaxy.

    PubMed

    Kelrich, A; Calahorra, Y; Greenberg, Y; Gavrilov, A; Cohen, S; Ritter, D

    2013-11-29

    Indium phosphide nanowires were grown by metalorganic molecular beam epitaxy using the selective-area vapor-liquid-solid method. We show experimentally and theoretically that the size of the annular opening around the nanowire has a major impact on nanowire growth rate. In addition, we observed a considerable reduction of the growth rate in dense two-dimensional arrays, in agreement with a calculation of the shadowing of the scattered precursors. Due to the impact of these effects on growth, they should be considered during selective-area vapor-liquid-solid nanowire epitaxy.

  9. Ligand Pose and Orientational Sampling in Molecular Docking

    PubMed Central

    Coleman, Ryan G.; Carchia, Michael; Sterling, Teague; Irwin, John J.; Shoichet, Brian K.

    2013-01-01

    Molecular docking remains an important tool for structure-based screening to find new ligands and chemical probes. As docking ambitions grow to include new scoring function terms, and to address ever more targets, the reliability and extendability of the orientation sampling, and the throughput of the method, become pressing. Here we explore sampling techniques that eliminate stochastic behavior in DOCK3.6, allowing us to optimize the method for regularly variable sampling of orientations. This also enabled a focused effort to optimize the code for efficiency, with a three-fold increase in the speed of the program. This, in turn, facilitated extensive testing of the method on the 102 targets, 22,805 ligands and 1,411,214 decoys of the Directory of Useful Decoys - Enhanced (DUD-E) benchmarking set, at multiple levels of sampling. Encouragingly, we observe that as sampling increases from 50 to 500 to 2000 to 5000 to 20000 molecular orientations in the binding site (and so from about 1×1010 to 4×1010 to 1×1011 to 2×1011 to 5×1011 mean atoms scored per target, since multiple conformations are sampled per orientation), the enrichment of ligands over decoys monotonically increases for most DUD-E targets. Meanwhile, including internal electrostatics in the evaluation ligand conformational energies, and restricting aromatic hydroxyls to low energy rotamers, further improved enrichment values. Several of the strategies used here to improve the efficiency of the code are broadly applicable in the field. PMID:24098414

  10. Construction of a bicontinuous donor-acceptor hybrid material at the molecular level by inserting inorganic nanowires into porous MOFs.

    PubMed

    Liu, Jian-Jun; Guan, Ying-Fang; Li, Ling; Chen, Yong; Dai, Wen-Xin; Huang, Chang-Cang; Lin, Mei-Jin

    2017-04-06

    Herein, we report an unprecedented hybrid structure of electron-rich iodoplumbate nanowires precisely inserted into the periodic pores of electron-deficient pyridinium metal-organic frameworks (MOFs). To the best of our knowledge, this is the first example of semiconductive MOFs in situ loaded with inorganic semiconductive nanowires via a simple self-assembly method. Due to the dissimilar semiconductivities between the host and guest components, this hybrid also represents the first bicontinuous donor-acceptor hybrid at the molecular level based on host-guest interactions.

  11. Optical properties of strain-free AlN nanowires grown by molecular beam epitaxy on Si substrates

    SciTech Connect

    Wang, Q.; Zhao, S.; Connie, A. T.; Shih, I.; Mi, Z.; Gonzalez, T.; Andrews, M. P.; Du, X. Z.; Lin, J. Y.; Jiang, H. X.

    2014-06-02

    The optical properties of catalyst-free AlN nanowires grown on Si substrates by molecular beam epitaxy were investigated. Such nanowires are nearly free of strain, with strong free exciton emission measured at room temperature. The photoluminescence intensity is significantly enhanced, compared to previously reported AlN epilayer. Moreover, the presence of phonon replicas with an energy separation of ∼100 meV was identified to be associated with the surface-optical phonon rather than the commonly reported longitudinal-optical phonon, which is further supported by the micro-Raman scattering experiments.

  12. The coupled effects of oxygen defect and crystallographic orientation on the electromechanical properties of BaTiO3 nanowires

    NASA Astrophysics Data System (ADS)

    Ghorbanali, Saeed; Shahraki, Mehran Gholipour

    2017-02-01

    Influence of oxygen vacancies on electromechanical properties of individual BaTiO3 (BTO) nanowires (NWs) is investigated, using molecular dynamics simulations. The simulations were performed for defected 0-4% oxygen vacancy defects) tetragonal NWs with axial directions of [001] and [110]. Results show an increase in spontaneous polarization and piezoelectric constant of the individual NWs due to increasing oxygen vacancy concentration, and a decrease in yield stress and Young's modulus. It seems that in individual BTO NWs the softening effect of the oxygen vacancies overcomes the pinning effect and results in enhancement of piezoelectric constant and spontaneous polarization. Results also show that yield stress and Young's modulus of the NWs with axial direction of [001] are higher than those for NWs with axial direction of [110] while it is reverse for spontaneous polarization and piezoelectric constant.

  13. Near Full-Composition-Range High-Quality GaAs1-xSbx Nanowires Grown by Molecular-Beam Epitaxy.

    PubMed

    Li, Lixia; Pan, Dong; Xue, Yongzhou; Wang, Xiaolei; Lin, Miaoling; Su, Dan; Zhang, Qinglin; Yu, Xuezhe; So, Hyok; Wei, Dahai; Sun, Baoquan; Tan, Pingheng; Pan, Anlian; Zhao, Jianhua

    2017-02-08

    Here we report on the Ga self-catalyzed growth of near full-composition-range energy-gap-tunable GaAs1-xSbx nanowires by molecular-beam epitaxy. GaAs1-xSbx nanowires with different Sb content are systematically grown by tuning the Sb and As fluxes, and the As background. We find that GaAs1-xSbx nanowires with low Sb content can be grown directly on Si(111) substrates (0 ≤ x ≤ 0.60) and GaAs nanowire stems (0 ≤ x ≤ 0.50) by tuning the Sb and As fluxes. To obtain GaAs1-xSbx nanowires with x ranging from 0.60 to 0.93, we grow the GaAs1-xSbx nanowires on GaAs nanowire stems by tuning the As background. Photoluminescence measurements confirm that the emission wavelength of the GaAs1-xSbx nanowires is tunable from 844 nm (GaAs) to 1760 nm (GaAs0.07Sb0.93). High-resolution transmission electron microscopy images show that the grown GaAs1-xSbx nanowires have pure zinc-blende crystal structure. Room-temperature Raman spectra reveal a redshift of the optical phonons in the GaAs1-xSbx nanowires with x increasing from 0 to 0.93. Field-effect transistors based on individual GaAs1-xSbx nanowires are fabricated, and rectifying behavior is observed in devices with low Sb content, which disappears in devices with high Sb content. The successful growth of high-quality GaAs1-xSbx nanowires with near full-range bandgap tuning may speed up the development of high-performance nanowire devices based on such ternaries.

  14. Foreign-catalyst-free growth of InAs/InSb axial heterostructure nanowires on Si (111) by molecular-beam epitaxy.

    PubMed

    So, Hyok; Pan, Dong; Li, Lixia; Zhao, Jianhua

    2017-03-01

    Epitaxial high-quality InAs/InSb axial heterostructure nanowires are of great interest due to their distinct advantages in fundamental research as well as applications in semiconductor electronic and quantum devices. Currently, nearly all the growth of InAs/InSb axial heterostructure nanowires is assisted with foreign catalysts such as Au, and work on foreign-catalyst-free growth of InAs/InSb axial heterostructure nanowires is lacking. Here we report on the growth of InAs/InSb axial heterostructure nanowires on Si (111) substrates by molecular-beam epitaxy without using any foreign catalysts. The Sb/In beam equivalent pressure (BEP) ratio is found to have important influence on the heterostructure nanowire morphology, and InSb nanowires can be epitaxially grown on InAs nanowire stems with a hexagonal prism and nanosheet-like shapes when the Sb/In BEP ratio varies from 10 to 20. Transmission electron microscopy studies reveal that the InAs nanowire stems have a mixture of zincblende (ZB) and wurtzite (WZ) crystal structures, while InSb nanowire parts have a pure ZB crystal structure free of stacking faults. Composition analysis of axial heterostructure nanowires provides clear evidence that the InSb nanowires are epitaxially grown on InAs nanowires in an In self-assisted vapor-liquid-solid manner. This study paves a new route for growing narrow-gap semiconductor heterostructures with strong spin-orbit interaction for the study of topological states, and the growth manner presented here is expected to be used to grow other In-based axial heterostructure nanowires.

  15. Foreign-catalyst-free growth of InAs/InSb axial heterostructure nanowires on Si (111) by molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    So, Hyok; Pan, Dong; Li, Lixia; Zhao, Jianhua

    2017-03-01

    Epitaxial high-quality InAs/InSb axial heterostructure nanowires are of great interest due to their distinct advantages in fundamental research as well as applications in semiconductor electronic and quantum devices. Currently, nearly all the growth of InAs/InSb axial heterostructure nanowires is assisted with foreign catalysts such as Au, and work on foreign-catalyst-free growth of InAs/InSb axial heterostructure nanowires is lacking. Here we report on the growth of InAs/InSb axial heterostructure nanowires on Si (111) substrates by molecular-beam epitaxy without using any foreign catalysts. The Sb/In beam equivalent pressure (BEP) ratio is found to have important influence on the heterostructure nanowire morphology, and InSb nanowires can be epitaxially grown on InAs nanowire stems with a hexagonal prism and nanosheet-like shapes when the Sb/In BEP ratio varies from 10 to 20. Transmission electron microscopy studies reveal that the InAs nanowire stems have a mixture of zincblende (ZB) and wurtzite (WZ) crystal structures, while InSb nanowire parts have a pure ZB crystal structure free of stacking faults. Composition analysis of axial heterostructure nanowires provides clear evidence that the InSb nanowires are epitaxially grown on InAs nanowires in an In self-assisted vapor–liquid–solid manner. This study paves a new route for growing narrow-gap semiconductor heterostructures with strong spin–orbit interaction for the study of topological states, and the growth manner presented here is expected to be used to grow other In-based axial heterostructure nanowires.

  16. Nanowire array chips for molecular typing of rare trafficking leukocytes with application to neurodegenerative pathology

    NASA Astrophysics Data System (ADS)

    Kwak, Minsuk; Kim, Dong-Joo; Lee, Mi-Ri; Wu, Yu; Han, Lin; Lee, Sang-Kwon; Fan, Rong

    2014-05-01

    Despite the presence of the blood-brain barrier (BBB) that restricts the entry of immune cells and mediators into the central nervous system (CNS), a small number of peripheral leukocytes can traverse the BBB and infiltrate into the CNS. The cerebrospinal fluid (CSF) is one of the major routes through which trafficking leukocytes migrate into the CNS. Therefore, the number of leukocytes and their phenotypic compositions in the CSF may represent important sources to investigate immune-to-brain interactions or diagnose and monitor neurodegenerative diseases. Due to the paucity of trafficking leucocytes in the CSF, a technology capable of efficient isolation, enumeration, and molecular typing of these cells in the clinical settings has not been achieved. In this study, we report on a biofunctionalized silicon nanowire array chip for highly efficient capture and multiplexed phenotyping of rare trafficking leukocytes in small quantities (50 microliters) of clinical CSF specimens collected from neurodegenerative disease patients. The antibody coated 3D nanostructured materials exhibited vastly improved rare cell capture efficiency due to high-affinity binding and enhanced cell-substrate interactions. Moreover, our platform creates multiple cell capture interfaces, each of which can selectively isolate specific leukocyte phenotypes. A comparison with the traditional immunophenotyping using flow cytometry demonstrated that our novel silicon nanowire-based rare cell analysis platform can perform rapid detection and simultaneous molecular characterization of heterogeneous immune cells. Multiplexed molecular typing of rare leukocytes in CSF samples collected from Alzheimer's disease patients revealed the elevation of white blood cell counts and significant alterations in the distribution of major leukocyte phenotypes. Our technology represents a practical tool for potentially diagnosing and monitoring the pathogenesis of neurodegenerative diseases by allowing an effective

  17. Nanowire array chips for molecular typing of rare trafficking leukocytes with application to neurodegenerative pathology.

    PubMed

    Kwak, Minsuk; Kim, Dong-Joo; Lee, Mi-Ri; Wu, Yu; Han, Lin; Lee, Sang-Kwon; Fan, Rong

    2014-06-21

    Despite the presence of the blood-brain barrier (BBB) that restricts the entry of immune cells and mediators into the central nervous system (CNS), a small number of peripheral leukocytes can traverse the BBB and infiltrate into the CNS. The cerebrospinal fluid (CSF) is one of the major routes through which trafficking leukocytes migrate into the CNS. Therefore, the number of leukocytes and their phenotypic compositions in the CSF may represent important sources to investigate immune-to-brain interactions or diagnose and monitor neurodegenerative diseases. Due to the paucity of trafficking leucocytes in the CSF, a technology capable of efficient isolation, enumeration, and molecular typing of these cells in the clinical settings has not been achieved. In this study, we report on a biofunctionalized silicon nanowire array chip for highly efficient capture and multiplexed phenotyping of rare trafficking leukocytes in small quantities (50 microliters) of clinical CSF specimens collected from neurodegenerative disease patients. The antibody coated 3D nanostructured materials exhibited vastly improved rare cell capture efficiency due to high-affinity binding and enhanced cell-substrate interactions. Moreover, our platform creates multiple cell capture interfaces, each of which can selectively isolate specific leukocyte phenotypes. A comparison with the traditional immunophenotyping using flow cytometry demonstrated that our novel silicon nanowire-based rare cell analysis platform can perform rapid detection and simultaneous molecular characterization of heterogeneous immune cells. Multiplexed molecular typing of rare leukocytes in CSF samples collected from Alzheimer's disease patients revealed the elevation of white blood cell counts and significant alterations in the distribution of major leukocyte phenotypes. Our technology represents a practical tool for potentially diagnosing and monitoring the pathogenesis of neurodegenerative diseases by allowing an effective

  18. Nanowire array chips for molecular typing of rare trafficking leukocytes with application to neurodegenerative pathology

    PubMed Central

    Kwak, Minsuk; Kim, Dong-Joo; Lee, Mi-Ri; Wu, Yu; Han, Lin; Lee, Sang-Kwon; Fan, Rong

    2014-01-01

    Despite the presence of the blood-brain barrier (BBB) that restricts the entry of immune cells and mediators into the central nervous system (CNS), a small number of peripheral leukocytes can traverse BBB and infiltrate into the CNS. Cerebrospinal fluid (CSF) is one of the major routes through which trafficking leukocytes migrate into the CNS. Therefore, the number of leukocytes and their phenotypic compositions in CSF may represent important sources to investigate immune-to-brain interaction, or diagnose and monitor neurodegenerative diseases. Due to the paucity of trafficking leucocytes in CSF, a technology capable of efficient isolation, enumeration, and molecular typing of these cells in the clinical settings has not been achieved. In this study, we report on a biofunctionalized silicon nanowire array chip for highly efficient capture and multiplexed phenotyping of rare trafficking leukocytes in small quantities (50 microliters) of clinical CSF specimens collected from neurodegenerative disease patients. The antibody-coated 3D nanostructured materials exhibited vastly improved rare cell capture efficiency due to high-affinity binding and enhanced cell-substrate interactions. Moreover, our platform creates multiple cell capture interfaces, each of which can selectively isolate specific leukocyte phenotype. Comparison with the traditional immunophenotyping using flow cytometry demonstrated that our novel silicon nanowire-based rare cell analysis platform can perform rapid detection and simultaneous molecular characterization of heterogeneous immune cells. Multiplexed molecular typing of rare leukocytes in CSF samples collected from Alzheimer’s disease patients revealed the elevation of white blood cell counts and significant alterations in the distribution of major leukocyte phenotypes. Our technology represents a practical tool potentially for diagnosing and monitoring the pathogenesis of neurodegenerative diseases by allowing an effective hematological

  19. Misfit dislocation free InAs/GaSb core-shell nanowires grown by molecular beam epitaxy.

    PubMed

    Rieger, T; Grützmacher, D; Lepsa, M I

    2015-01-07

    In this report, we present the growth and structural analyses of broken gap InAs/GaSb core-shell nanowires by molecular beam epitaxy using an Au-free approach. Depending on the shell growth temperature, two distinct growth regimes for the GaSb shells are identified resulting in conformal or tapered shells. Morphological analyses reveal a dodecagonal nanowire cross-section after GaSb shell growth. Detailed transmission electron microscope investigations from different zone axes confirm that the small lattice mismatch of 0.6% allows the deposition of 40 nm thick GaSb shells free of misfit dislocations. Additionally, an abrupt interface from InAs to GaSb is found. These nanowires are suitable for future devices such as TFETs.

  20. Self-Assembly and Horizontal Orientation Growth of VO2 Nanowires

    PubMed Central

    Cheng, Chun; Guo, Hua; Amini, Abbas; Liu, Kai; Fu, Deyi; Zou, Jian; Song, Haisheng

    2014-01-01

    Single-crystalline vanadium dioxide (VO2) nanostructures have attracted an intense research interest recently because of their unique single-domain metal-insulator phase transition property. Synthesis of these nanostructures in the past was limited in density, alignment, or single-crystallinity. The assembly of VO2 nanowires (NWs) is desirable for a “bottom-up” approach to the engineering of intricate structures using nanoscale building blocks. Here, we report the successful synthesis of horizontally aligned VO2 NWs with a dense growth mode in the [1-100]quartz direction of a polished x-cut quartz surface using a simple vapor transport method. Our strategy of controlled growth of VO2 NWs promisingly paves the way for designing novel metal-insulator transition devices based on VO2 NWs. PMID:24965899

  1. Aligned platinum nanowire networks from surface-oriented lipid cubic phase templates.

    PubMed

    Richardson, S J; Burton, M R; Staniec, P A; Nandhakumar, I S; Terrill, N J; Elliott, J M; Squires, A M

    2016-02-07

    Mesoporous metal structures featuring a bicontinuous cubic morphology have a wide range of potential applications and novel opto-electronic properties, often orientation-dependent. We describe the production of nanostructured metal films 1-2 microns thick featuring 3D-periodic 'single diamond' morphology that show high out-of-plane alignment, with the (111) plane oriented parallel to the substrate. These are produced by electrodeposition of platinum through a lipid cubic phase (Q(II)) template. Further investigation into the mechanism for the orientation revealed the surprising result that the Q(II) template, which is tens of microns thick, is polydomain with no overall orientation. When thicker platinum films are grown, they also show increased orientational disorder. These results suggest that polydomain Q(II) samples display a region of uniaxial orientation at the lipid/substrate interface up to approximately 2.8 ± 0.3 μm away from the solid surface. Our approach gives previously unavailable information on the arrangement of cubic phases at solid interfaces, which is important for many applications of Q(II) phases. Most significantly, we have produced a previously unreported class of oriented nanomaterial, with potential applications including metamaterials and lithographic masks.

  2. Birefringent Stable Glass with Predominantly Isotropic Molecular Orientation

    NASA Astrophysics Data System (ADS)

    Liu, Tianyi; Exarhos, Annemarie L.; Alguire, Ethan C.; Gao, Feng; Salami-Ranjbaran, Elmira; Cheng, Kevin; Jia, Tiezheng; Subotnik, Joseph E.; Walsh, Patrick J.; Kikkawa, James M.; Fakhraai, Zahra

    2017-09-01

    Birefringence in stable glasses produced by physical vapor deposition often implies molecular alignment similar to liquid crystals. As such, it remains unclear whether these glasses share the same energy landscape as liquid-quenched glasses that have been aged for millions of years. Here, we produce stable glasses of 9-(3,5-di(naphthalen-1-yl)phenyl)anthracene molecules that retain three-dimensional shapes and do not preferentially align in a specific direction. Using a combination of angle- and polarization-dependent photoluminescence and ellipsometry experiments, we show that these stable glasses possess a predominantly isotropic molecular orientation while being optically birefringent. The intrinsic birefringence strongly correlates with increased density, showing that molecular ordering is not required to produce stable glasses or optical birefringence, and provides important insights into the process of stable glass formation via surface-mediated equilibration. To our knowledge, such novel amorphous packing has never been reported in the past.

  3. Faunus: An object oriented framework for molecular simulation

    PubMed Central

    Lund, Mikael; Trulsson, Martin; Persson, Björn

    2008-01-01

    Background We present a C++ class library for Monte Carlo simulation of molecular systems, including proteins in solution. The design is generic and highly modular, enabling multiple developers to easily implement additional features. The statistical mechanical methods are documented by extensive use of code comments that – subsequently – are collected to automatically build a web-based manual. Results We show how an object oriented design can be used to create an intuitively appealing coding framework for molecular simulation. This is exemplified in a minimalistic C++ program that can calculate protein protonation states. We further discuss performance issues related to high level coding abstraction. Conclusion C++ and the Standard Template Library (STL) provide a high-performance platform for generic molecular modeling. Automatic generation of code documentation from inline comments has proven particularly useful in that no separate manual needs to be maintained. PMID:18241331

  4. Controlled in situ boron doping of short silicon nanowires grown by molecular beam epitaxy

    SciTech Connect

    Das Kanungo, Pratyush; Zakharov, Nikolai; Bauer, Jan; Breitenstein, Otwin; Werner, Peter; Goesele, Ulrich

    2008-06-30

    Epitaxial silicon nanowires (NWs) of short heights ({approx}280 nm) on Si <111> substrate were grown and doped in situ with boron on a concentration range of 10{sup 15}-10{sup 19} cm{sup -3} by coevaporation of atomic Si and B by molecular beam epitaxy. Transmission electron microscopy revealed a single-crystalline structure of the NWs. Electrical measurements of the individual NWs confirmed the doping. However, the low doped (10{sup 15} cm{sup -3}) and medium doped (3x10{sup 16} and 1x10{sup 17} cm{sup -3}) NWs were heavily depleted by the surface states while the high doped (10{sup 18} and 10{sup 19} cm{sup -3}) ones showed volume conductivities expected for the corresponding intended doping levels.

  5. Wurtzite GaAs/AlGaAs core-shell nanowires grown by molecular beam epitaxy.

    PubMed

    Zhou, H L; Hoang, T B; Dheeraj, D L; van Helvoort, A T J; Liu, L; Harmand, J C; Fimland, B O; Weman, H

    2009-10-14

    We report the growth of GaAs/AlGaAs core-shell nanowires (NWs) on GaAs(111)B substrates by Au-assisted molecular beam epitaxy. Electron microscopy shows the formation of a wurtzite AlGaAs shell structure both in the radial and the axial directions outside a wurtzite GaAs core. With higher Al content, a lower axial and a higher radial growth rate of the AlGaAs shell were observed. Room temperature and low temperature (4.4 K) micro-photoluminescence measurements show a much higher radiative efficiency from the GaAs core after the NW is overgrown with a radial AlGaAs shell.

  6. Electrical characterization of ensemble of GaN nanowires grown by the molecular beam epitaxy technique

    NASA Astrophysics Data System (ADS)

    Kolkovsky, Vl.; Zytkiewicz, Z. R.; Sobanska, M.; Klosek, K.

    2013-08-01

    High quality Schottky contacts are formed on GaN nanowires (NWs) structures grown by the molecular beam epitaxy technique on Si(111) substrate. The current-voltage characteristics show the rectification ratio of about 103 and the leakage current of about 10-4 A/cm2 at room temperature. From the capacitance-voltage measurements the free carrier concentration in GaN NWs is determined as about 1016 cm-3. Two deep levels (H200 and E280) are found in the structures containing GaN NWs. H200 is attributed to an extended defect located at the interface between the substrate and SiNx or near the sidewalls at the bottom of the NWs whereas E280 is tentatively assigned to a gallium-vacancy- or nitrogen interstitials-related defect.

  7. Molecular Dynamics Simulations of the Thermal Conductivities of Group IV Bulk Materials and Nanowires

    NASA Astrophysics Data System (ADS)

    Reed, John; Williamson, Andrew; Galli, Giulia

    2006-03-01

    We present the results of equilibrium molecular dynamics simulations of the thermal conductivities of bulk C, Si, Ge, and SiC using the Green-Kubo formalism. We use an empirical interatomic potential developed by Tersoff [1] and investigate the effects of modifications to this potential suggested by Porter et al [2]. We also investigate the effects of choosing a symmetric versus nonsymmetric definition of the local heat. A generalization of this approach to study the dependence of the thermal conductivity of SiGe nanowires on their size and composition will also be presented. [1] J. Tersoff, PRB 39 (8), 5566-5568 [2] L. Porter, J. Li, S. Yip, J. Nuc. Matl. 246 (1997) 53-59 This work was performed under the auspices of the U.S. Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48.

  8. Controlling crystal phases in GaAs nanowires grown by Au-assisted molecular beam epitaxy.

    PubMed

    Dheeraj, D L; Munshi, A M; Scheffler, M; van Helvoort, A T J; Weman, H; Fimland, B O

    2013-01-11

    Control of the crystal phases of GaAs nanowires (NWs) is essential to eliminate the formation of stacking faults which deteriorate the optical and electronic properties of the NWs. In addition, the ability to control the crystal phase of NWs provides an opportunity to engineer the band gap without changing the crystal material. We show that the crystal phase of GaAs NWs grown on GaAs(111)B substrates by molecular beam epitaxy using the Au-assisted vapor-liquid-solid growth mechanism can be tuned between wurtzite (WZ) and zinc blende (ZB) by changing the V/III flux ratio. As an example we demonstrate the realization of WZ GaAs NWs with a ZB GaAs insert that has been grown without changing the substrate temperature.

  9. Ultrathin gold nanowire-functionalized carbon nanotubes for hybrid molecular sensing.

    PubMed

    Cui, Huizhong; Hong, Chenglin; Ying, Andrew; Yang, Xinmai; Ren, Shenqiang

    2013-09-24

    Carbon nanotubes (CNTs) have shown great potential as sensing component in the electrochemical field effect transistor and optical sensors, because of their extraordinary one-dimensional electronic structure, thermal conductivity, and tunable and stable near-infrared emission. However, the insolubility of CNTs due to strong van der Waals interactions limits their use in the field of nanotechnology. In this study, we demonstrate that noncovalent ultrathin gold nanowires functionalized multiwalled carbon nanotube (GNW-CNT) hybrid sensing agents show highly efficient and selective immune molecular sensing in electrochemical and near-infrared photoacoustic imaging methods. A detection limit of 0.01 ng/mL for the alpha-fetoprotein (AFP) antigen with high selectivity is shown. The extraordinary optical absorption, thermal, and electric conductivity of hybrid GNW-CNTs presented in this study could be an effective tactic to integrate imaging, sensing, and treatment functionalities.

  10. InAs nanowire growth modes on Si (111) by gas source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Robson, M. T.; LaPierre, R. R.

    2016-02-01

    InAs nanowires (NWs) were grown on silicon substrates by gas source molecular beam epitaxy using five different growth modes: (1) Au-assisted growth, (2) positioned (patterned) Au-assisted growth, (3) Au-free growth, (4) positioned Au-assisted growth using a patterned oxide mask, and (5) Au-free selective-area epitaxy (SAE) using a patterned oxide mask. Optimal growth conditions (temperature, V/III flux ratio) were identified for each growth mode for control of NW morphology and vertical NW yield. The highest yield (72%) was achieved with the SAE method at a growth temperature of 440 °C and a V/III flux ratio of 4. Growth mechanisms are discussed for each of the growth modes.

  11. Ligand pose and orientational sampling in molecular docking.

    PubMed

    Coleman, Ryan G; Carchia, Michael; Sterling, Teague; Irwin, John J; Shoichet, Brian K

    2013-01-01

    Molecular docking remains an important tool for structure-based screening to find new ligands and chemical probes. As docking ambitions grow to include new scoring function terms, and to address ever more targets, the reliability and extendability of the orientation sampling, and the throughput of the method, become pressing. Here we explore sampling techniques that eliminate stochastic behavior in DOCK3.6, allowing us to optimize the method for regularly variable sampling of orientations. This also enabled a focused effort to optimize the code for efficiency, with a three-fold increase in the speed of the program. This, in turn, facilitated extensive testing of the method on the 102 targets, 22,805 ligands and 1,411,214 decoys of the Directory of Useful Decoys-Enhanced (DUD-E) benchmarking set, at multiple levels of sampling. Encouragingly, we observe that as sampling increases from 50 to 500 to 2000 to 5000 to 20,000 molecular orientations in the binding site (and so from about 1×10(10) to 4×10(10) to 1×10(11) to 2×10(11) to 5×10(11) mean atoms scored per target, since multiple conformations are sampled per orientation), the enrichment of ligands over decoys monotonically increases for most DUD-E targets. Meanwhile, including internal electrostatics in the evaluation ligand conformational energies, and restricting aromatic hydroxyls to low energy rotamers, further improved enrichment values. Several of the strategies used here to improve the efficiency of the code are broadly applicable in the field.

  12. Fabrication of Orientation-Tunable Si Nanowires on Silicon Pyramids with Omnidirectional Light Absorption.

    PubMed

    Pei, Zhibin; Hu, Haibo; Li, Shuxin; Ye, Changhui

    2017-04-07

    In this work, the different orientation of SiNWs on Si pyramids by a two step MACE method have been fabricated. By tuning the structure of Ag catalyst film and controlling the concentration of H2O2 or the etching temperature, the tunability of the orientation of SiNWs from <111> to <100> on Si pyramids was realized. Si structures composed of Si pyramids and SiNWs exhibit better omnidirectional light-trapping ability by multiple reflections. Si structures with structural tunability and enhanced light harvesting performance will find a wide variety of significant applications in solar cells, photodetectors, and optoelectronic devices.

  13. Numerical method to optimize the polar-azimuthal orientation of infrared superconducting-nanowire single-photon detectors.

    PubMed

    Csete, Mária; Sipos, Áron; Najafi, Faraz; Hu, Xiaolong; Berggren, Karl K

    2011-11-01

    A finite-element method for calculating the illumination-dependence of absorption in three-dimensional nanostructures is presented based on the radio frequency module of the Comsol Multiphysics software package (Comsol AB). This method is capable of numerically determining the optical response and near-field distribution of subwavelength periodic structures as a function of illumination orientations specified by polar angle, φ, and azimuthal angle, γ. The method was applied to determine the illumination-angle-dependent absorptance in cavity-based superconducting-nanowire single-photon detector (SNSPD) designs. Niobium-nitride stripes based on dimensions of conventional SNSPDs and integrated with ~ quarter-wavelength hydrogen-silsesquioxane-filled nano-optical cavity and covered by a thin gold film acting as a reflector were illuminated from below by p-polarized light in this study. The numerical results were compared to results from complementary transfer-matrix-method calculations on composite layers made of analogous film-stacks. This comparison helped to uncover the optical phenomena contributing to the appearance of extrema in the optical response. This paper presents an approach to optimizing the absorptance of different sensing and detecting devices via simultaneous numerical optimization of the polar and azimuthal illumination angles.

  14. Hybridization Efficiency of Molecular Beacons Bound to Gold Nanowires: Effect of Surface Coverage and Target Length

    PubMed Central

    2010-01-01

    Surface-bound nucleic acid probes designed to adopt specific secondary structures are becoming increasingly important in a range of biosensing applications but remain less well characterized than traditional single-stranded probes, which are typically designed to avoid secondary structure. We report the hybridization efficiency for surface-immobilized hairpin DNA probes. Our probes are molecular beacons, carrying a 3′ dye moiety and a 5′ thiol for attachment to gold nanowires, which serve as both scaffolds for probe attachment and quenchers. Hybridization efficiency was dependent on probe surface coverage, reaching a maximum of ∼90% at intermediate coverages of (1−2) × 1012 probes/cm2 and dropping to ≤20% at higher or lower coverages. Fluorescence intensity did not track with the number of target molecules bound, and was highest for high probe coverage despite the lower bound targets per square centimeter. Backfilling with short thiolated oligoethylene glycol spacers increased hybridization efficiency at low hairpin probe coverages (∼(3−4) × 1011 probes/cm2), but not at higher probe coverages (1 × 1012/cm2). We also evaluated the effect of target length by adding up to 50 nonhybridizing nucleotides to the 3′ or 5′ end of the complementary target sequence. Additional nucleotides on the 3′ end of the complementary target sequence (i.e., the end near the nanowire surface) had a much greater impact on hybridization efficiency as compared to nucleotides added to the 5′ end. This work provides guidance in designing sensors in which surface-bound probes designed to adopt secondary structures are used to detect target sequences from solution. PMID:21038880

  15. TOPICAL REVIEW: DNA nanowire fabrication

    NASA Astrophysics Data System (ADS)

    Gu, Qun; Cheng, Chuanding; Gonela, Ravikanth; Suryanarayanan, Shivashankar; Anabathula, Sathish; Dai, Kun; Haynie, Donald T.

    2006-01-01

    Deoxyribonucleic acid (DNA) has been a key building block in nanotechnology since the earliest work on what is now called DNA-templated self-assembly (Alivisatos et al 1996 Nature 382 609; Mirkin et al 1996 Nature 382 607; Braun et al 1998 Nature 391 775). A range of different nanoparticles and nanoclusters have been assembled on single DNA molecules for a variety of purposes (Braun et al 1998 Nature 391 775; Richter et al 2001 Appl. Phys. Lett. 78 536; Park et al 2002 Science 295 1503; Mirkin 2000 Inorg. Chem. 39 2258; Keren et al 2003 Science 302 1380). Electrically conductive silver (Braun et al 1998 Nature 391 775) and palladium (Richter et al 2001 Appl. Phys. Lett. 78 536) nanowires, for example, have been fabricated by DNA templating for the development of interconnection of nanoelectric elements, and field effect transistors have been built by assembly of a single carbon nanotube and DNA-templated nanowires (Keren et al 2003 Science 302 1380). DNA is well suited for nanowire assembly because of its size, well organized structure, and exquisite molecular-recognition-ability-specific base pairing. This property has been used to detect nucleic acids (Park et al 2002 Science 295 1503) and anthrax (Mirkin 2000 Inorg. Chem. 39 2258) with high sensitivity and specificity. Molecular recognition can also be used to localize nanowires in electronics. Various methods, for example molecular combing, electrophoretic stretching, and hydrodynamic stretching, have been developed to orient DNA molecules on a solid support. This review focuses on methods used to manipulate and metallize DNA in nanowire fabrication. A novel approach based on a single-stranded DNA template and molecular recognition is also discussed.

  16. High efficiency ultraviolet emission from AlxGa1-xN core-shell nanowire heterostructures grown on Si (111) by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Wang, Q.; Nguyen, H. P. T.; Cui, K.; Mi, Z.

    2012-07-01

    High crystalline quality, vertically aligned AlxGa1-xN nanowire heterostructures are grown on GaN nanowire templates on Si (111) substrates by plasma-assisted molecular beam epitaxy. The nanowires exhibit unique core-shell structures, with enhanced Al compositions in the near-surface region. The emission wavelength can be varied across nearly the entire ultraviolet A (˜3.10-3.94 eV) and B (˜3.94-4.43 eV) spectral range by controlling the Al compositions. Such nanowire structures can exhibit extremely high internal quantum efficiency (up to ˜58%) at room-temperature, which is attributed to the superior carrier confinement offered by the core-shell structures and to the use of defect-free GaN nanowire templates.

  17. Defect-free zinc-blende structured InAs nanowires realized by in situ two V/III ratio growth in molecular beam epitaxy.

    PubMed

    Zhang, Zhi; Lu, Zhen-Yu; Chen, Ping-Ping; Lu, Wei; Zou, Jin

    2015-08-07

    In this study, we devised a two-V/III-ratio procedure to control the Au-assisted growth of defect-free InAs nanowires in molecular beam epitaxy. The demonstrated two V/III ratio procedure consists of a first high V/III ratio growth step to prepare the nanowire foundation on the substrate surface, followed by a low V/III ratio step to induce the nanowire growth. By manipulating the V/III ratios in different steps, we have achieved the controlled growth of pure defect-free zinc-blende structured InAs nanowires on the GaAs {1̄1̄1̄} substrates. This study provides an approach to control not only the crystal structure of semiconductor nanowires, but also their structural qualities.

  18. Enhanced Rates of Photoinduced Molecular Orientation in a Series of Molecular Glassy Thin Films.

    PubMed

    Snell, Kristen E; Hou, Renjie; Ishow, Eléna; Lagugné-Labarthet, François

    2015-07-07

    Photoinduced orientation in a series of molecular glasses made of small push-pull azo derivatives is dynamically investigated for the first time. Birefringence measurements at 632.8 nm are conducted with a temporal resolution of 100 ms to probe the fast rate of the azo orientation induced under polarized light and its temporal stability over several consecutive cycles. To better evaluate the influence of the azo chemical substituents and their electronic properties on the orientation of the whole molecule, a series of push-pull azo derivatives involving a triphenylaminoazo core substituted with distinct electron-withdrawing moieties is studied. All resulting thin films are probed using polarization modulation infrared spectroscopy that yields dynamical linear dichroism measurements during a cycle of orientation followed by relaxation. We show here in particular that the orientation rates of small molecule-based azo materials are systematically increased up to 7-fold compared to those of a reference polymer counterpart. For specific compounds, the percentage of remnant orientation is also higher, which makes these materials of great interest and promising alternatives to azobenzene-containing polymers for a variety of applications requiring a fast response and absolute control over the molecular weight.

  19. Surface Tension, Adsorption, and Molecular Orientations at the Liquid-Vapor Interface of Molecular Mixtures.

    NASA Astrophysics Data System (ADS)

    Thurtell, John Harland

    A generalized van der Waal's Mean Field Theory and Molecular Dynamics computer simulations have been used to study the liquid-vapor interface of simple liquid crystals, atomic mixtures, polar mixtures, and polar solvent-surfactant mixtures. Surface tensions, density profiles, and orientational order parameters have been calculated at the planar liquid -vapor interfaces of liquid crystals, argon-krypton mixtures, and polar mixtures using a mean field theory of molecular liquids. The effect of size, shape and dipole strength on the thickness, concentration and orientational ordering of adsorbed layers have been studied in detail. These parameters yield widely varying interfacial structures and can lead to interfacial and bulk phase transitions. Molecular dynamics simulations of simple surfactant models in a polar solvent have been carried out for varying intermolecular potentials. In particular the effect of the surfactant dipole strength, orientation and position were examined. The dipole has a large influence on the surface tension, molecular orientations and thickness of the interfacial region of these systems. We find a number of competing effects which result in unpredictable behavior in some situations.

  20. Self-catalyzed GaAsP nanowires grown on silicon substrates by solid-source molecular beam epitaxy.

    PubMed

    Zhang, Yunyan; Aagesen, Martin; Holm, Jeppe V; Jørgensen, Henrik I; Wu, Jiang; Liu, Huiyun

    2013-08-14

    We realize the growth of self-catalyzed GaAsP nanowires (NWs) on silicon (111) substrates using solid-source molecular beam epitaxy. By optimizing the V/III and P/As flux ratios, as well as the Ga flux, high-crystal-quality GaAsP NWs have been demonstrated with almost pure zinc-blende phase. Comparing the growth of GaAsP NWs with that of the conventional GaAs NWs indicates that the incorporation of P has significant effects on catalyst nucleation energy, and hence the nanowire morphology and crystal quality. In addition, the incorporation ratio of P/As between vapor-liquid-solid NW growth and the vapor-solid thin film growth has been compared, and the difference between these two growth modes is explained through growth kinetics. The vapor-solid epitaxial growth of radial GaAsP shell on core GaAsP NWs is further demonstrated with room-temperature emission at ~710 nm. These results give valuable new information into the NW nucleation mechanisms and open up new perspectives for integrating III-V nanowire photovoltaics and visible light emitters on a silicon platform by using self-catalyzed GaAsP core-shell nanowires.

  1. Electrical and Optical Properties of Au-Catalyzed GaAs Nanowires Grown on Si (111) Substrate by Molecular Beam Epitaxy

    NASA Astrophysics Data System (ADS)

    Wang, Chiu-Yen; Hong, Yu-Chen; Ko, Zong-Jie; Su, Ya-Wen; Huang, Jin-Hua

    2017-04-01

    In this study, defect-free zinc blende GaAs nanowires on Si (111) by molecular beam epitaxy (MBE) growth are systematically studied through Au-assisted vapor-liquid-solid (VLS) method. The morphology, density, and crystal structure of GaAs nanowires were investigated as a function of substrate temperature, growth time, and As/Ga flux ratio during MBE growth, as well as the thickness, annealing time, and annealing temperature of Au film using scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), cathodoluminescence (CL), and Raman spectroscopy. When the As/Ga flux ratio is fixed at 25 and the growth temperature at 540 °C, the GaAs nanowires exhibit a defect-free zinc blende structure with uniform and straight morphology. According to the characteristics of GaAs nanowires grown under varied conditions, a growth mechanism for defect-free zinc blende GaAs nanowires via Au-assisted vapor-liquid-solid (VLS) method is proposed. Finally, doping by Si and Be of nanowires is investigated. The results of doping lead to GaAs nanowires processing n-type and p-type semiconductor properties and reduced electrical resistivity. This study of defect-free zinc blende GaAs nanowire growth should be of assistance in further growth and applications studies of complex III-V group nanostructures.

  2. Molecular gating of silicon nanowire field-effect transistors with nonpolar analytes.

    PubMed

    Paska, Yair; Stelzner, Thomas; Assad, Ossama; Tisch, Ulrike; Christiansen, Silke; Haick, Hossam

    2012-01-24

    Silicon nanowire field-effect transistors (Si NW FETs) have been used as powerful sensors for chemical and biological species. The detection of polar species has been attributed to variations in the electric field at the conduction channel due to molecular gating with polar molecules. However, the detection of nonpolar analytes with Si NW FETs has not been well understood to date. In this paper, we experimentally study the detection of nonpolar species and model the detection process based on changes in the carrier mobility, voltage threshold, off-current, off-voltage, and subthreshold swing of the Si NW FET. We attribute the detection of the nonpolar species to molecular gating, due to two indirect effects: (i) a change in the dielectric medium close to the Si NW surface and (ii) a change in the charged surface states at the functionality of the Si NW surface. The contribution of these two effects to the overall measured sensing signal is determined and discussed. The results provide a launching pad for real-world sensing applications, such as environmental monitoring, homeland security, food quality control, and medicine.

  3. Tuning the electrical properties of Si nanowire field-effect transistors by molecular engineering.

    PubMed

    Bashouti, Muhammad Y; Tung, Raymond T; Haick, Hossam

    2009-12-01

    Exposed facets of n-type silicon nanowires (Si NWs) fabricated by a top-down approach are successfully terminated with different organic functionalities, including 1,3-dioxan-2-ethyl, butyl, allyl, and propyl-alcohol, using a two-step chlorination/alkylation method. X-ray photoemission spectroscopy and spectroscopic ellipsometry establish the bonding and the coverage of these molecular layers. Field-effect transistors fabricated from these Si NWs displayed characteristics that depended critically on the type of molecular termination. Without molecules the source-drain conduction is unable to be turned off by negative gate voltages as large as -20 V. Upon adsorption of organic molecules there is an observed increase in the "on" current at large positive gate voltages and also a reduction, by several orders of magnitude, of the "off" current at large negative gate voltages. The zero-gate voltage transconductance of molecule-terminated Si NW correlates with the type of organic molecule. Adsorption of butyl and 1,3-dioxan-2-ethyl molecules improves the channel conductance over that of the original SiO(2)-Si NW, while adsorption of molecules with propyl-alcohol leads to a reduction. It is shown that a simple assumption based on the possible creation of surface states alongside the attachment of molecules may lead to a qualitative explanation of these electrical characteristics. The possibility and potential implications of modifying semiconductor devices by tuning the distribution of surface states via the functionality of attached molecules are discussed.

  4. Influence of Molecular Shape on Molecular Orientation and Stability of Vapor-Deposited Organic Semiconductors

    NASA Astrophysics Data System (ADS)

    Walters, Diane M.; Johnson, Noah D.; Ediger, M. D.

    Physical vapor deposition is commonly used to prepare active layers in organic electronics. Recently, it has been shown that molecular orientation and packing can be tuned by changing the substrate temperature during deposition, while still producing macroscopically homogeneous films. These amorphous materials can be highly anisotropic when prepared with low substrate temperatures, and they can exhibit exceptional kinetic stability; films retain their favorable packing when heated to high temperatures. Here, we study the influence of molecular shape on molecular orientation and stability. We investigate disc-shaped molecules, such as TCTA and m-MTDATA, nearly spherical molecules, such as Alq3, and linear molecules covering a broad range of aspect ratios, such as p-TTP and BSB-Cz. Disc-shaped molecules have preferential horizontal orientation when deposited at low substrate temperatures, and their orientation can be tuned by changing the substrate temperature. Alq3 forms stable, amorphous films that are optically isotropic when vapor deposited over a broad range of substrate temperatures. This work may guide the choice of material and deposition conditions for vapor-deposited films used in organic electronics and allow for more efficient devices to be fabricated.

  5. Molecular dynamics simulation of a solid platinum nanowire under uniaxial tensile strain: Temperature and strain-rate effects

    NASA Astrophysics Data System (ADS)

    Koh, S. J. A.; Lee, H. P.; Lu, C.; Cheng, Q. H.

    2005-08-01

    Nanoscale research has been an area of active research over the past fifteen years. This is due to the overall enhanced properties of nanomaterials due to size effects, surface effects, and interface effects, which typically showed up in materials with characteristic size smaller than 100nm . This study focuses on the molecular dynamics (MD) simulation of an infinitely long, cylindrical platinum nanowire, with an approximate diameter of 1.4nm . The nanowire was subjected to uniaxial tensile strain along the [001] axis. The changes in crystal structure during deformation were analyzed and its mechanical properties were deduced from the simulation. Classical MD simulation was employed in this study, with the empirical Sutton-Chen pair functional used to describe the interatomic potential between the platinum atoms. The Berendsen loose-coupling thermostat was selected for finite-temperature control of the simulated system, with a time constant of 25% of the total relaxation time during each strain increment. The nanowire was subjected to strain rates of 0.04%, 0.4%, and 4.0%ps-1 , at simulation temperatures of 50 and 300K , in order to study the effects of different strain rates and thermal conditions on the deformation characteristics and mechanical properties of the nanowire. It was found that the stress-strain response of the nanowire showed clear periodic, stepwise dislocation-relaxation-recrystallization behavior at low temperature and strain rate, where crystal order and stability were highly preserved. The onset of amorphous crystal deformation occurred at 0.4%ps-1 , and fully amorphous deformation took place at 4.0%ps-1 , with amorphous melting detected at 300K . Due to higher entropy of the nanowire at higher temperature and strain rate, periodic stress-strain behavior became less clearly defined, and superplasticity behavior was observed. This characteristic was significantly enhanced due to the development of a single-walled helical substructure at 300K

  6. Molecularly Oriented Polymeric Thin Films for Space Applications

    NASA Technical Reports Server (NTRS)

    Fay, Catharine C.; Stoakley, Diane M.; St.Clair, Anne K.

    1997-01-01

    The increased commitment from NASA and private industry to the exploration of outer space and the use of orbital instrumentation to monitor the earth has focused attention on organic polymeric materials for a variety of applications in space. Some polymeric materials have exhibited short-term (3-5 yr) space environmental durability; however, future spacecraft are being designed with lifetimes projected to be 10-30 years. This gives rise to concern that material property change brought about during operation may result in unpredicted spacecraft performance. Because of their inherent toughness and flexibility, low density, thermal stability, radiation resistance and mechanical strength, aromatic polyimides have excellent potential use as advanced materials on large space structures. Also, there exists a need for high temperature (200-300 C) stable, flexible polymeric films that have high optical transparency in the 300-600nm range of the electromagnetic spectrum. Polymers suitable for these space applications were fabricated and characterized. Additionally, these polymers were molecularly oriented to further enhance their dimensional stability, stiffness, elongation and strength. Both unoriented and oriented polymeric thin films were also cryogenically treated to temperatures below -184 C to show their stability in cold environments and determine any changes in material properties.

  7. Molecular dynamics simulation of joining process of Ag-Au nanowires and mechanical properties of the hybrid nanojoint

    SciTech Connect

    Ding, Su; Tian, Yanhong Jiang, Zhi; He, Xiaobin

    2015-05-15

    The nanojoining process of Ag-Au hybrid nanowires at 800K was comprehensively studied by virtue of molecular dynamics (MD) simulation. Three kinds of configurations including end-to-end, T-like and X-like were built in the simulation aiming to understand the nanojoining mechanism. The detailed dynamic evolution of atoms, crystal structure transformation and defects development during the nanojoining processes were performed. The results indicate that there are two stages in the nanojoining process of Ag-Au nanowires which are atom diffusion and new bonds formation. Temperature is a key parameter affecting both stages ascribed to the energy supply and the optimum temperature for Ag-Au nanojoint with diameter of 4.08 nm has been discussed. The mechanical properties of the nanojoint were examined with simulation of tensile test on the end-to-end joint. It was revealed that the nanojoint was strong enough to resist fracture at the joining area.

  8. Size effect on cold-welding of gold nanowires investigated using molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Wu, Cheng-Da; Fang, Te-Hua; Wu, Chung-Chin

    2016-03-01

    The size effect on the cold-welding mechanism and mechanical properties of Au nanowires (NWs) in head-to-head contact are studied using molecular dynamics simulations based on the second-moment approximation of the many-body tight-binding potential. The results are discussed in terms of atomic trajectories, slip vectors, stress, radial distribution function, and weld strength ratio. Simulation results show that during the cold-welding process, a few disordered atoms/defects in the jointing area rearrange themselves and transform into a face-centered cubic crystalline structure. With an increase in contact between the two NWs, dislocations gradually form on the (111) slip plane and then on a twin plane, leading to an increase in the lateral deformation of 4-nm-wide NWs. The effect of structural instability increases with decreasing NW width, making the alignment of the two NWs more difficult. The elongation ability of the welded NWs increases with increasing NW width. Smaller NWs have better weld strength.

  9. Growth mechanisms of GaAs nanowires by gas source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Plante, M. C.; LaPierre, R. R.

    2006-01-01

    GaAs nanowires were grown on GaAs (1 1 1)B substrates in a gas source molecular beam epitaxy system, using self-assembled Au particles with diameters between 20 and 800 nm as catalytic agents. The growth kinetics of the wires was investigated for substrate temperatures between 500 and 600 °C, and V/III flux ratios of 1.5 and 2.3. The broad distribution of Au particles enabled the first observation of two distinct growth regimes related to the size of the catalyst. The origins of this transition are discussed in terms of the various mass transport mechanisms that drive the wire growth. Diffusion of the growth species on the 2-D surface and up the wire sidewalls dominates for catalyst diameters smaller than ˜130 nm on average, while direct impingement on the catalyst followed by bulk diffusion through the Au particle appears to sustain the wire growth for larger catalyst diameters. A change in wire sidewall facets, indicating a probable transition in the crystal structure, is found to be primarily dependent on the V/III flux ratio.

  10. Graphitic platform for self-catalysed InAs nanowires growth by molecular beam epitaxy

    PubMed Central

    2014-01-01

    We report the self-catalysed growth of InAs nanowires (NWs) on graphite thin films using molecular beam epitaxy via a droplet-assisted technique. Through optimising metal droplets, we obtained vertically aligned InAs NWs with highly uniform diameter along their entire length. In comparison with conventional InAs NWs grown on Si (111), the graphite surface led to significant effects on the NWs geometry grown on it, i.e. larger diameter, shorter length with lower number density, which were ascribed to the absence of dangling bonds on the graphite surface. The axial growth rate of the NWs has a strong dependence on growth time, which increases quickly in the beginning then slows down after the NWs reach a length of approximately 0.8 μm. This is attributed to the combined axial growth contributions from the surface impingement and sidewall impingement together with the desorption of adatoms during the diffusion. The growth of InAs NWs on graphite was proposed following a vapour-solid mechanism. High-resolution transmission electron microscopy reveals that the NW has a mixture of pure zinc-blende and wurtzite insertions. PMID:25024683

  11. Graphitic platform for self-catalysed InAs nanowires growth by molecular beam epitaxy.

    PubMed

    Zhuang, Qian D; Anyebe, Ezekiel A; Sanchez, Ana M; Rajpalke, Mohana K; Veal, Tim D; Zhukov, Alexander; Robinson, Benjamin J; Anderson, Frazer; Kolosov, Oleg; Fal'ko, Vladimir

    2014-01-01

    We report the self-catalysed growth of InAs nanowires (NWs) on graphite thin films using molecular beam epitaxy via a droplet-assisted technique. Through optimising metal droplets, we obtained vertically aligned InAs NWs with highly uniform diameter along their entire length. In comparison with conventional InAs NWs grown on Si (111), the graphite surface led to significant effects on the NWs geometry grown on it, i.e. larger diameter, shorter length with lower number density, which were ascribed to the absence of dangling bonds on the graphite surface. The axial growth rate of the NWs has a strong dependence on growth time, which increases quickly in the beginning then slows down after the NWs reach a length of approximately 0.8 μm. This is attributed to the combined axial growth contributions from the surface impingement and sidewall impingement together with the desorption of adatoms during the diffusion. The growth of InAs NWs on graphite was proposed following a vapour-solid mechanism. High-resolution transmission electron microscopy reveals that the NW has a mixture of pure zinc-blende and wurtzite insertions.

  12. NMR Studies of Molecular Orientation and Dynamics in Spider silk

    NASA Astrophysics Data System (ADS)

    Michal, Carl; Eles, Philip

    2004-05-01

    Spider dragline silk has a unique combination of strength and extensibility that has been difficult to achieve in synthetic polymer fibres and has inspired industrial efforts to produce genetically engineered analogues. In light of these efforts elsewhere, we describe solid-state NMR experiments that elucidate the molecular structure and dynamics of this remarkable material. These experiments include the use of a 2-D exchange NMR experiment known as DECODER in which the sample is reoriented through a discrete angle during the mixing time. This experiment allows a reconstruction of the orientation distribution of the protein backbone. Our data is well described by a two-component distribution where the protein backbones of both components are preferentially aligned along the silk fibre. This experiment is also sensitive to molecular motion on a wide range of time-scales, and is employed to study changes in the silk as a function of fibre extension and hydration. Hydrated silk undergoes a remarkable phenomena known as supercontraction where fibres shrink by up to 50% in length while swelling in diameter. DECODER NMR of fully and partially supercontracted silk reveals that supercontraction occurs through a process of local phase transitions where water disrupts inter- and intra-chain hydrogen bonds.

  13. Steady-state and time-resolved photoluminescence from relaxed and strained GaN nanowires grown by catalyst-free molecular-beam epitaxy

    SciTech Connect

    Schlager, John B.; Bertness, Kris A.; Blanchard, Paul T.; Robins, Lawrence H.; Roshko, Alexana; Sanford, Norman A.

    2008-06-15

    We report steady-state and time-resolved photoluminescence (TRPL) measurements on individual GaN nanowires (6-20 {mu}m in length, 30-940 nm in diameter) grown by a nitrogen-plasma-assisted, catalyst-free molecular-beam epitaxy on Si(111) and dispersed onto fused quartz substrates. Induced tensile strain for nanowires bonded to fused silica and compressive strain for nanowires coated with atomic-layer-deposition alumina led to redshifts and blueshifts of the dominant steady-state PL emission peak, respectively. Unperturbed nanowires exhibited spectra associated with high-quality, strain-free material. The TRPL lifetimes, which were similar for both relaxed and strained nanowires of similar size, ranged from 200 ps to over 2 ns, compared well with those of low-defect bulk GaN, and depended linearly on nanowire diameter. The diameter-dependent lifetimes yielded a room-temperature surface recombination velocity S of 9x10{sup 3} cm/s for our silicon-doped GaN nanowires.

  14. Steady-state and time-resolved photoluminescence from relaxed and strained GaN nanowires grown by catalyst-free molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    Schlager, John B.; Bertness, Kris A.; Blanchard, Paul T.; Robins, Lawrence H.; Roshko, Alexana; Sanford, Norman A.

    2008-06-01

    We report steady-state and time-resolved photoluminescence (TRPL) measurements on individual GaN nanowires (6-20 μm in length, 30-940 nm in diameter) grown by a nitrogen-plasma-assisted, catalyst-free molecular-beam epitaxy on Si(111) and dispersed onto fused quartz substrates. Induced tensile strain for nanowires bonded to fused silica and compressive strain for nanowires coated with atomic-layer-deposition alumina led to redshifts and blueshifts of the dominant steady-state PL emission peak, respectively. Unperturbed nanowires exhibited spectra associated with high-quality, strain-free material. The TRPL lifetimes, which were similar for both relaxed and strained nanowires of similar size, ranged from 200 ps to over 2 ns, compared well with those of low-defect bulk GaN, and depended linearly on nanowire diameter. The diameter-dependent lifetimes yielded a room-temperature surface recombination velocity S of 9×103 cm/s for our silicon-doped GaN nanowires.

  15. Coherent Radiative Decay of Molecular Rotations: A Comparative Study of Terahertz-Oriented versus Optically Aligned Molecular Ensembles

    NASA Astrophysics Data System (ADS)

    Damari, Ran; Rosenberg, Dina; Fleischer, Sharly

    2017-07-01

    The decay of field-free rotational dynamics is experimentally studied by two complementary methods: laser-induced molecular alignment and terahertz-field-induced molecular orientation. A comparison between the decay rates of different molecular species at various gas pressures reveals that oriented molecular ensembles decay faster than aligned ensembles. The discrepancy in decay rates is attributed to the coherent radiation emitted by the transiently oriented ensembles and is absent from aligned molecules. The experimental results reveal the dramatic contribution of coherent radiative emission to the observed decay of rotational dynamics and underline a general phenomenon expected whenever field-free coherent dipole oscillations are induced.

  16. Coherent Radiative Decay of Molecular Rotations: A Comparative Study of Terahertz-Oriented versus Optically Aligned Molecular Ensembles.

    PubMed

    Damari, Ran; Rosenberg, Dina; Fleischer, Sharly

    2017-07-21

    The decay of field-free rotational dynamics is experimentally studied by two complementary methods: laser-induced molecular alignment and terahertz-field-induced molecular orientation. A comparison between the decay rates of different molecular species at various gas pressures reveals that oriented molecular ensembles decay faster than aligned ensembles. The discrepancy in decay rates is attributed to the coherent radiation emitted by the transiently oriented ensembles and is absent from aligned molecules. The experimental results reveal the dramatic contribution of coherent radiative emission to the observed decay of rotational dynamics and underline a general phenomenon expected whenever field-free coherent dipole oscillations are induced.

  17. Epitaxial self-assembly of binary molecular components into branched nanowire heterostructures for photonic applications.

    PubMed

    Kong, Qinghua; Liao, Qing; Xu, Zhenzhen; Wang, Xuedong; Yao, Jiannian; Fu, Hongbing

    2014-02-12

    We report a sequential epitaxial growth to prepare organic branched nanowire heterostructures (BNwHs) consisting of a microribbon trunk of 1,4-dimethoxy-2,5-di[4'-(cyano)styryl]benzene (COPV) with multiple nanowire branches of 2,4,5-triphenylimidazole (TPI) in a one-pot solution synthesis. The synthesis involves a seeded-growth process, where COPV microribbons are grown first as a trunk followed by a seeded-growth of TPI nanowire branches at the pregrown trunk surfaces. Selected area electron diffraction characterizations reveal that multiple hydrogen-bonding interactions between TPI and COPV components play an essential role in the epitaxial growth as a result of the structural matching between COPV and TPI crystals. A multichannel optical router was successfully realized on the basis of the passive waveguides of COPV green photoluminescence (PL) along TPI nanowire branches in a single organic BNwH.

  18. Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

    NASA Astrophysics Data System (ADS)

    Xia, Sihao; Liu, Lei; Kong, Yike; Wang, Honggang; Wang, Meishan

    2016-11-01

    Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is BN because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued -6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

  19. Molecular beam epitaxial growth and optical properties of red-emitting (λ = 650 nm) InGaN/GaN disks-in-nanowires on silicon

    NASA Astrophysics Data System (ADS)

    Jahangir, S.; Mandl, M.; Strassburg, M.; Bhattacharya, P.

    2013-02-01

    We have investigated the radiative properties of InGaN disks in GaN nanowires grown by plasma enhanced molecular beam epitaxy on (001) silicon substrates. The growth of the nanowire heterostructures has been optimized to maximize the radiative efficiency, or internal quantum efficiency (IQE), for photoluminescence emission at λ = 650 nm. It is found that the IQE increases significantly (by ˜10%) to 52%, when post-growth passivation of nanowire surface with silicon nitride or parylene is applied. The increase in efficiency is supported by radiative- and nonradiative lifetimes derived from data obtained from temperature dependent- and time-resolved photoluminescence measurements. Light emitting diodes with p-i-n disk-in-nanowire heterostructures passivated with parylene have been fabricated and characterized.

  20. Molecular beam epitaxy of InAs nanowires in SiO2 nanotube templates: challenges and prospects for integration of III-Vs on Si.

    PubMed

    Vukajlovic-Plestina, Jelena; Dubrovskii, Vladimir G; Tütüncuoǧlu, Gözde; Potts, Heidi; Ricca, Ruben; Meyer, Frank; Matteini, Federico; Leran, Jean-Baptiste; I Morral, Anna Fontcuberta

    2016-11-11

    Guided growth of semiconductor nanowires in nanotube templates has been considered as a potential platform for reproducible integration of III-Vs on silicon or other mismatched substrates. Herein, we report on the challenges and prospects of molecular beam epitaxy of InAs nanowires in SiO2/Si nanotube templates. We show how and under which conditions the nanowire growth is initiated by In-assisted vapor-liquid-solid growth enabled by the local conditions inside the nanotube template. The conditions for high yield of vertical nanowires are investigated in terms of the nanotube depth, diameter and V/III flux ratios. We present a model that further substantiates our findings. This work opens new perspectives for monolithic integration of III-Vs on the silicon platform enabling new applications in the electronics, optoelectronics and energy harvesting arena.

  1. Molecular beam epitaxial growth and optical properties of red-emitting ({lambda} = 650 nm) InGaN/GaN disks-in-nanowires on silicon

    SciTech Connect

    Jahangir, S.; Bhattacharya, P.; Mandl, M.; Strassburg, M.

    2013-02-18

    We have investigated the radiative properties of InGaN disks in GaN nanowires grown by plasma enhanced molecular beam epitaxy on (001) silicon substrates. The growth of the nanowire heterostructures has been optimized to maximize the radiative efficiency, or internal quantum efficiency (IQE), for photoluminescence emission at {lambda} = 650 nm. It is found that the IQE increases significantly (by {approx}10%) to 52%, when post-growth passivation of nanowire surface with silicon nitride or parylene is applied. The increase in efficiency is supported by radiative- and nonradiative lifetimes derived from data obtained from temperature dependent- and time-resolved photoluminescence measurements. Light emitting diodes with p-i-n disk-in-nanowire heterostructures passivated with parylene have been fabricated and characterized.

  2. Self-catalyzed, pure zincblende GaAs nanowires grown on Si(111) by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Cirlin, G. E.; Dubrovskii, V. G.; Samsonenko, Yu. B.; Bouravleuv, A. D.; Durose, K.; Proskuryakov, Y. Y.; Mendes, Budhikar; Bowen, L.; Kaliteevski, M. A.; Abram, R. A.; Zeze, Dagou

    2010-07-01

    We report on the Au-free molecular beam epitaxy growth of coherent GaAs nanowires directly on Si(111) substrates. The growth is catalyzed by liquid Ga droplets formed in the openings of a native oxide layer at the initial growth stage. Transmission electron microscopy studies demonstrate that the nanowires are single crystals having the zincblende structure along their length (apart from a thin wurtzite region directly below the Ga droplet), regardless of their diameter (70-80 nm) and the growth temperature range (560-630°C) . We attribute the observed phase purity to a much lower surface energy of liquid Ga than that of Au-Ga alloys, which makes triple line nucleation energetically unfavorable. The change in growth catalyst to a liquid metal with a lower energy suppresses the (more usual) formation of wurtzite nuclei on surface energetic grounds. These results can provide a distinct method for the fabrication of chemically pure and stacking-fault-free zincblende nanowires of III-V compounds on silicon.

  3. All-wurtzite (In,Ga)As-(Ga,Mn)As core-shell nanowires grown by molecular beam epitaxy.

    PubMed

    Siušys, Aloyzas; Sadowski, Janusz; Sawicki, Maciej; Kret, Sławomir; Wojciechowski, Tomasz; Gas, Katarzyna; Szuszkiewicz, Wojciech; Kaminska, Agnieszka; Story, Tomasz

    2014-08-13

    Structural and magnetic properties of (In,Ga)As-(Ga,Mn)As core-shell nanowires grown by molecular beam epitaxy on GaAs(111)B substrate with gold catalyst have been investigated. (In,Ga)As core nanowires were grown at high temperature (500 °C) whereas (Ga,Mn)As shells were deposited on the {11̅00} side facets of the cores at much lower temperature (220 °C). High-resolution transmission electron microscopy images and high spectral resolution Raman scattering data show that both the cores and the shells of the nanowires have wurtzite crystalline structure. Scanning and transmission electron microscopy observations show smooth (Ga,Mn)As shells containing 5% of Mn epitaxially deposited on (In,Ga)As cores containing about 10% of In without any misfit dislocations at the core-shell interface. With the In content in the (In,Ga)As cores larger than 5% the (In,Ga)As lattice parameter is higher than that of (Ga,Mn)As and the shell is in the tensile strain state. Elaborated magnetic studies indicate the presence of ferromagnetic coupling in (Ga,Mn)As shells at the temperatures in excess of 33 K. This coupling is maintained only in separated mesoscopic volumes resulting in an overall superparamagnetic behavior which gets blocked below ∼ 17 K.

  4. Molecularly oriented surface relief formation in polymethacrylates comprising N-benzylideneaniline derivative side groups

    NASA Astrophysics Data System (ADS)

    Kawatsuki, Nobuhiro; Hosoda, Risa; Kondo, Mizuho; Sasaki, Tomoyuki; Ono, Hiroshi

    2014-12-01

    Molecularly oriented surface relief (SR) formation in polymethacrylates with N-benzylideneaniline (NBA) derivative side groups is investigated by holographic exposure using a 325 nm He-Cd laser. Because the NBA moieties show a photoinduced orientation perpendicular to the polarization of light, polarization holography successfully forms a molecularly oriented SR structure in accordance with the polarization distribution that includes p-polarized components. Although intensity holography induces molecular orientation, it does not generate a satisfactory SR structure. In all the holographic modes, the SR depth depends on the direction of the C=N bonds in the NBA moieties and the photoproducts affect the SR formation ability.

  5. A Novel Method to Fabricate Silicon Nanowire p- n Junctions by a Combination of Ion Implantation and in-situ Doping

    NASA Astrophysics Data System (ADS)

    Kanungo, Pratyush Das; Kögler, Reinhard; Werner, Peter; Gösele, Ulrich; Skorupa, Wolfgang

    2010-01-01

    We demonstrate a novel method to fabricate an axial p- n junction inside <111> oriented short vertical silicon nanowires grown by molecular beam epitaxy by combining ion implantation with in-situ doping. The lower halves of the nanowires were doped in-situ with boron (concentration ~1018 cm-3), while the upper halves were doubly implanted with phosphorus to yield a uniform concentration of 2 × 1019 cm-3. Electrical measurements of individually contacted nanowires showed excellent diode characteristics and ideality factors close to 2. We think that this value of ideality factors arises out of a high rate of carrier recombination through surface states in the native oxide covering the nanowires.

  6. Effect of voids on the tensile properties of vanadium nanowires

    NASA Astrophysics Data System (ADS)

    Wang, Liang; Deng, Huiqiu; Xiao, Shifang; Hu, Wangyu

    2013-05-01

    Vanadium alloys are one of the candidates for first-wall materials. Due to the impact of high energy neutrons and transmutation helium during a fusion reaction, voids will be formed and the mechanical properties of the first-wall materials will be degraded. It is necessary to investigate the effect of voids on the mechanical behavior of the material. In the present paper, the tensile properties of vanadium nanowires with a void have been studied with molecular dynamics simulations. During a deformation process, the generation of <1 1 1>/{1 1 2} stacking faults to form twinnings in vanadium nanowires. The void facilitates the nanowire’s rupture and alters the deformation behavior of nanowires. For the nanowire with a void, the twin initiates near the vicinity of the void rather than a random location as in a nanowire without void. Twinning boundaries propagate towards the ends of nanowire until the whole wire transforms from the initial orientation (z-<0 0 1>) to a new configuration (z-<1 1 0>) with a rotation of 90° under a tensile stress. The nucleation and growth of the twin is inhibited as void size increases, and the nanowires crack is mainly induced by the disordering of vanadium atoms near the void rather than twinning deformation for large size void. A critical effective cross sectional width is determined for different deformation mechanisms. reserved

  7. Introducing and manipulating magnetic dopant exchange interactions in semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Hegde, Manu; Hosein, Ian D.; Sabergharesou, Tahereh; Farvid, Shokouh S.; Radovanovic, Pavle V.

    2013-09-01

    The ability to control both spin and charge degrees of freedom in semiconductor nanostructrures is at heart of spintronic and quantum information technologies. Magnetically-doped semiconductor nanowires have emerged as a promising platform for spintronics, which warrants the exploration of their synthesis, electronic structure, and magnetic properties. Here we demonstrate the preparation of manganese-doped GaN and SnO2 nanowires by chemical vapor deposition and solvothermal methods, respectively. The investigation of both systems by electron microscopy and x-ray absorption spectroscopy at ensemble and single nanowire levels indicates that manganese dopants exist in a dual oxidation state, Mn2+ and Mn3+, with Mn2+ being the majority species. X-ray magnetic circular dichroism studies of individual nanowires suggest ferromagnetic interactions of manganese dopants, and the nanowire orientation-dependent magnetization owing to the magnetocrystalline anisotropy. The results of these studies demonstrate quantitative determination of the dopant electronic structure at the molecular level, and allow for a prediction of the magnetic properties of diluted magnetic semiconductor nanowires based on their orientation and geometry.

  8. Effects of oxidation on tensile deformation of iron nanowires: Insights from reactive molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Aral, Gurcan; Wang, Yun-Jiang; Ogata, Shigenobu; van Duin, Adri C. T.

    2016-10-01

    The influence of oxidation on the mechanical properties of nanostructured metals is rarely explored and remains poorly understood. To address this knowledge gap, in this work, we systematically investigate the mechanical properties and changes in the metallic iron (Fe) nanowires (NWs) under various atmospheric conditions of ambient dry O2 and in a vacuum. More specifically, we focus on the effect of oxide shell layer thickness over Fe NW surfaces at room temperature. We use molecular dynamics (MD) simulations with the variable charge ReaxFF force field potential model that dynamically handles charge variation among atoms as well as breaking and forming of the chemical bonds associated with the oxidation reaction. The ReaxFF potential model allows us to study large length scale mechanical atomistic deformation processes under the tensile strain deformation process, coupled with quantum mechanically accurate descriptions of chemical reactions. To study the influence of an oxide layer, three oxide shell layer thicknesses of ˜4.81 Å, ˜5.33 Å, and ˜6.57 Å are formed on the pure Fe NW free surfaces. It is observed that the increase in the oxide layer thickness on the Fe NW surface reduces both the yield stress and the critical strain. We further note that the tensile mechanical deformation behaviors of Fe NWs are dependent on the presence of surface oxidation, which lowers the onset of plastic deformation. Our MD simulations show that twinning is of significant importance in the mechanical behavior of the pure and oxide-coated Fe NWs; however, twin nucleation occurs at a lower strain level when Fe NWs are coated with thicker oxide layers. The increase in the oxide shell layer thickness also reduces the external stress required to initiate plastic deformation.

  9. Steady-State and Transient Photoconductivity in c-Axis GaN Nanowires Grown by Nitrogen-Plasma-Assisted Molecular Beam Epitaxy

    DTIC Science & Technology

    2010-02-01

    Steady-state and transient photoconductivity in c-axis GaN nanowires grown by nitrogen-plasma-assisted molecular beam epitaxy N. A. Sanford,1,a P. T...assisted molecular beam epitaxy primarily from two separate growth runs were examined. The results revealed carrier concentration in the range of 3–61016...cm−3 for one growth run, roughly 51014–11015 cm−3 for the second, and drift mobility in the range of 500–700 cm2 / V s for both. Nanowires were

  10. The effect of rod orientation on electrical anisotropy in silver nanowire networks for ultra-transparent electrodes

    PubMed Central

    Ackermann, Thomas; Neuhaus, Raphael; Roth, Siegmar

    2016-01-01

    Two-dimensional networks made of metal nanowires are excellent paradigms for the experimental observation of electrical percolation caused by continuous jackstraw-like physical pathways. Such systems became very interesting as alternative material in transparent electrodes, which are fundamental components in display devices. This work presents the experimental characterization of low-haze and ultra-transparent electrodes based on silver nanowires. The films are created by dip-coating, a feasible and scalable liquid film coating technique. We have found dominant alignment of the silver nanowires in withdrawal direction. The impact of this structural anisotropy on electrical anisotropy becomes more pronounced for low area coverage. The rod alignment does not influence the technical usability of the films as significant electrical anisotropy occurs only at optical transmission higher than 99 %. For films with lower transmission, electrical anisotropy becomes negligible. In addition to the experimental work, we have carried out computational studies in order to explain our findings further and compare them to our experiments and previous literature. This paper presents the first experimental observation of electrical anisotropy in two-dimensional silver nanowire networks close at the percolation threshold. PMID:27677947

  11. Spontaneous core–shell elemental distribution in In-rich In(x)Ga1-xN nanowires grown by molecular beam epitaxy.

    PubMed

    Gómez-Gómez, M; Garro, N; Segura-Ruiz, J; Martinez-Criado, G; Cantarero, A; Mengistu, H T; García-Cristóbal, A; Murcia-Mascarós, S; Denker, C; Malindretos, J; Rizzi, A

    2014-02-21

    The elemental distribution of self-organized In-rich In(x)Ga1-xN nanowires grown by plasma-assisted molecular beam epitaxy has been investigated using three different techniques with spatial resolution on the nanoscale. Two-dimensional images and elemental profiles of single nanowires obtained by x-ray fluorescence and energy-dispersive x-ray spectroscopy, respectively, have revealed a radial gradient in the alloy composition of each individual nanowire. The spectral selectivity of resonant Raman scattering has been used to enhance the signal from very small volumes with different elemental composition within single nanowires. The combination of the three techniques has provided sufficient sensitivity and spatial resolution to prove the spontaneous formation of a core–shell nanowire and to quantify the thicknesses and alloy compositions of the core and shell regions. A theoretical model based on continuum elastic theory has been used to estimate the strain fields present in such inhomogeneous nanowires. These results suggest new strategies for achieving high quality nonpolar heterostructures.

  12. Structural and optical properties of self-catalytic GaAs:Mn nanowires grown by molecular beam epitaxy on silicon substrates.

    PubMed

    Gas, Katarzyna; Sadowski, Janusz; Kasama, Takeshi; Siusys, Aloyzas; Zaleszczyk, Wojciech; Wojciechowski, Tomasz; Morhange, Jean-François; Altintaş, Abdulmenaf; Xu, H Q; Szuszkiewicz, Wojciech

    2013-08-21

    Mn-doped GaAs nanowires were grown in the self-catalytic growth mode on the oxidized Si(100) surface by molecular beam epitaxy and characterized by scanning and transmission electron microscopy, Raman scattering, photoluminescence, cathodoluminescence, and electron transport measurements. The transmission electron microscopy studies evidenced the substantial accumulation of Mn inside the catalyzing Ga droplets on the top of the nanowires. Optical and transport measurements revealed that the limit of the Mn content for self-catalysed growth of GaAs nanowires corresponds to the doping level, i.e., it is much lower than the Mn/Ga flux ratio (about 3%) used during the MBE growth. The resistivity measurements of individual nanowires confirmed that they are conductive, in accordance with the photoluminescence measurements which showed the presence of Mn(2+) acceptors located at Ga sites of the GaAs host lattice of the nanowires. An anomalous temperature dependence of the photoluminescence related to excitons was demonstrated for Mn-doped GaAs nanowires.

  13. Spontaneous core-shell elemental distribution in In-rich InxGa1-xN nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Gómez-Gómez, M.; Garro, N.; Segura-Ruiz, J.; Martinez-Criado, G.; Cantarero, A.; Mengistu, H. T.; García-Cristóbal, A.; Murcia-Mascarós, S.; Denker, C.; Malindretos, J.; Rizzi, A.

    2014-02-01

    The elemental distribution of self-organized In-rich InxGa1-xN nanowires grown by plasma-assisted molecular beam epitaxy has been investigated using three different techniques with spatial resolution on the nanoscale. Two-dimensional images and elemental profiles of single nanowires obtained by x-ray fluorescence and energy-dispersive x-ray spectroscopy, respectively, have revealed a radial gradient in the alloy composition of each individual nanowire. The spectral selectivity of resonant Raman scattering has been used to enhance the signal from very small volumes with different elemental composition within single nanowires. The combination of the three techniques has provided sufficient sensitivity and spatial resolution to prove the spontaneous formation of a core-shell nanowire and to quantify the thicknesses and alloy compositions of the core and shell regions. A theoretical model based on continuum elastic theory has been used to estimate the strain fields present in such inhomogeneous nanowires. These results suggest new strategies for achieving high quality non-polar heterostructures.

  14. Boron doped graphene wrapped silver nanowires as an efficient electrocatalyst for molecular oxygen reduction

    PubMed Central

    Nair, Anju K.; Thazhe veettil, Vineesh; Kalarikkal, Nandakumar; Thomas, Sabu; Kala, M. S.; Sahajwalla, Veena; Joshi, Rakesh K.; Alwarappan, Subbiah

    2016-01-01

    Metal nanowires exhibit unusually high catalytic activity towards oxygen reduction reaction (ORR) due to their inherent electronic structures. However, controllable synthesis of stable nanowires still remains as a daunting challenge. Herein, we report the in situ synthesis of silver nanowires (AgNWs) over boron doped graphene sheets (BG) and demonstrated its efficient electrocatalytic activity towards ORR for the first time. The electrocatalytic ORR efficacy of BG-AgNW is studied using various voltammetric techniques. The BG wrapped AgNWs shows excellent ORR activity, with very high onset potential and current density and it followed four electron transfer mechanism with high methanol tolerance and stability towards ORR. The results are comparable to the commercially available 20% Pt/C in terms of performance. PMID:27941954

  15. Boron doped graphene wrapped silver nanowires as an efficient electrocatalyst for molecular oxygen reduction

    NASA Astrophysics Data System (ADS)

    Nair, Anju K.; Thazhe Veettil, Vineesh; Kalarikkal, Nandakumar; Thomas, Sabu; Kala, M. S.; Sahajwalla, Veena; Joshi, Rakesh K.; Alwarappan, Subbiah

    2016-12-01

    Metal nanowires exhibit unusually high catalytic activity towards oxygen reduction reaction (ORR) due to their inherent electronic structures. However, controllable synthesis of stable nanowires still remains as a daunting challenge. Herein, we report the in situ synthesis of silver nanowires (AgNWs) over boron doped graphene sheets (BG) and demonstrated its efficient electrocatalytic activity towards ORR for the first time. The electrocatalytic ORR efficacy of BG-AgNW is studied using various voltammetric techniques. The BG wrapped AgNWs shows excellent ORR activity, with very high onset potential and current density and it followed four electron transfer mechanism with high methanol tolerance and stability towards ORR. The results are comparable to the commercially available 20% Pt/C in terms of performance.

  16. Probing electronic properties of molecular engineered zinc oxide nanowires with photoelectron spectroscopy.

    PubMed

    Aguilar, Carlos A; Haight, Richard; Mavrokefalos, Anastassios; Korgel, Brian A; Chen, Shaochen

    2009-10-27

    ZnO nanowires (NWs) are emerging as key elements for new lasing, photovoltaic and sensing applications but elucidation of their fundamental electronic properties has been hampered by a dearth of characterization tools capable of probing single nanowires. Herein, ZnO NWs were synthesized in solution and integrated into a low energy photoelectron spectroscopy system, where quantitative optical measurements of the NW work function and Fermi level location within the band gap were collected. Next, the NWs were decorated with several dipolar self-assembled monolayers (SAMs) and control over the electronic properties is demonstrated, yielding a completely tunable hybrid electronic material. Using this new metrology approach, a host of other extraordinary interfacial phenomena could be explored on nanowires such as spatial dopant profiling or heterostructures.

  17. Liquid Crystalline Polymers and Networks -- orientation, molecular shape change, mechanics

    NASA Astrophysics Data System (ADS)

    Warner, Mark

    2008-03-01

    In a prescient paper of 1969, Pierre-Gilles de Gennes envisaged both liquid crystal polymers and elastomers. 10 years later, these systems were realised. After 25 years, monodomain elastomers were prepared and displayed phenomena he had predicted: rods incorporated into polymers induce liquid crystallinity in polymer melts and elastomers; orientational order causes shape changes in the back bones of such polymers; mechanical ramifications follow in networks, e.g. spontaneous elongations and contractions on changing order. The latter are proposed as the basis of micro-actuation and artificial muscles, both heat and light-driven. In 1969, de Gennes already described ideal networks heated through the nematic-isotropic transition losing all their order by mechanical relaxation. It is not obvious, but is true in theory and largely in experiment, even in highly non-ideal networks. He also envisaged that a cholesteric network, where there is a topological memory of chirality imprinted by crosslinking chains in a twisted state. Chirality cannot relax away on entering the isotropic phase, even in systems without molecular chirality (for instance those crosslinked in the presence of chiral solvent that is subsequently exchanged away). His chiral elastomers have found application as mechanically-tuneable, rubber lasers. De Gennes also constructed the first continuum elastic theories of nematic elastomers (1982), though distortions are generally very large. His elasticity has informed non-linear elasticity that works even at large amplitudes. I shall describe de Gennes' many contributions, and the current state of a field that has since yielded still more remarkable phenomena.

  18. Length-dependent mechanical properties of gold nanowires

    PubMed Central

    Han, Jing; Fang, Liang; Sun, Jiapeng; Han, Ying; Sun, Kun

    2012-01-01

    The well-known “size effect” is not only related to the diameter but also to the length of the small volume materials. It is unfortunate that the length effect on the mechanical behavior of nanowires is rarely explored in contrast to the intensive studies of the diameter effect. The present paper pays attention to the length-dependent mechanical properties of 〈111〉-oriented single crystal gold nanowires employing the large-scale molecular dynamics simulation. It is discovered that the ultrashort Au nanowires exhibit a new deformation and failure regime-high elongation and high strength. The constrained dislocation nucleation and transient dislocation slipping are observed as the dominant mechanism for such unique combination of high strength and high elongation. A mechanical model based on image force theory is developed to provide an insight to dislocation nucleation and capture the yield strength and nucleation site of first partial dislocation indicated by simulation results. Increasing the length of the nanowires, the ductile-to-brittle transition is confirmed. And the new explanation is suggested in the predict model of this transition. Inspired by the superior properties, a new approach to strengthen and toughen nanowires-hard/soft/hard sandwich structured nanowires is suggested. A preliminary evidence from the molecular dynamics simulation corroborates the present opinion. PMID:23284186

  19. Molecular relaxations, molecular orientation, and the friction characteristics of polyimide films. [wear characteristics of polymeric lubricant

    NASA Technical Reports Server (NTRS)

    Fusaro, R. L.

    1975-01-01

    The friction characteristics of polyimide films bonded to metallic substrates were studied from 25 to 500 C. These results were interpreted in terms of molecular orientation and thermomechanical data obtained by torsional braid analysis (TBA). A large friction transition was found to occur at 40 + or - 10 C in a dry argon atmosphere (10 ppm H2O). It was postulated that the mechanical stresses of sliding transform or reorder the molecules on the surface into a configuration conducive to easy shear, such as an extended chain. The molecular relaxation which occurs in this temperature region appears to give the molecules the necessary freedom for this reordering process to occur. The effects of velocity, reversibility, and thermal prehistory on the friction properties of polyimide were also studied.

  20. Nucleation and coalescence effects on the density of self-induced GaN nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Consonni, V.; Knelangen, M.; Trampert, A.; Geelhaar, L.; Riechert, H.

    2011-02-01

    The evolution of the density of self-induced GaN nanowires as a function of the growth time, gallium rate, and growth temperature has been investigated by scanning and transmission electron microscopy. Nucleation and coalescence effects have been disentangled and quantified by distinguishing between single nanowires and nanowire clusters. Owing to the very specific nanowire nucleation mechanism involving a shape transition from spherical-cap-shaped islands, the nanowire density does not follow the standard island nucleation theory. Furthermore, the detrimental nanowire coalescence process can be significantly reduced by raising the growth temperature.

  1. Influence of Molecular Shape on the Thermal Stability and Molecular Orientation of Vapor-Deposited Organic Semiconductors

    DOE Data Explorer

    Walters, Diane M [University of Wisconsin-Madison] (ORCID:0000000253706563); Antony, Lucas [University of Chicago] (ORCID:0000000319336500); de Pablo, Juan [University of Chicago] (ORCID:000000023526516X); Ediger, Mark [University of Wisconsin-Madison] (ORCID:0000000347158473)

    2017-07-25

    High thermal stability and anisotropic molecular orientation enhance the performance of vapor-deposited organic semiconductors, but controlling these properties is a challenge in amorphous materials. To understand the influence of molecular shape on these properties, vapor-deposited glasses of three disk-shaped molecules were prepared. For all three systems, enhanced thermal stability is observed for glasses prepared over a wide range of substrate temperatures and anisotropic molecular orientation is observed at lower substrate temperatures. For two of the disk-shaped molecules, atomistic simulations of thin films were also performed and anisotropic molecular orientation was observed at the equilibrium liquid surface. We find that the structure and thermal stability of these vapor-deposited glasses results from high surface mobility and partial equilibration toward the structure of the equilibrium liquid surface during the deposition process. For the three molecules studied, molecular shape is a dominant factor in determining the anisotropy of vapor-deposited glasses.

  2. Focused ion beam supported growth of monocrystalline wurtzite InAs nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Scholz, Sven; Schott, Rüdiger; Labud, Patrick A.; Somsen, Christoph; Reuter, Dirk; Ludwig, Arne; Wieck, Andreas D.

    2017-07-01

    We investigate monocrystalline InAs nanowires (NWs) which are grown catalyst assisted by molecular beam epitaxy (MBE) and create the catalyst by focused ion beam (FIB) implanted Au spots. With this combination of methods an aspect ratio, i.e. the length to width ratio, of the grown NWs up to 300 was achieved. To control the morphology and crystalline structure of the NWs, the growth parameters like temperature, flux ratios and implantation fluence are varied and optimized. Furthermore, the influence of the used molecular arsenic species, in particular the As2 to As4 ratio, is investigated and adjusted. In addition to the high aspect ratio, this optimization results in the growth of monocrystalline InAs NWs with a negligible number of stacking faults. Single NWs were placed site-controlled by FIB implantation, which supplements the working field of area growth.

  3. Etomica: an object-oriented framework for molecular simulation.

    PubMed

    Schultz, Andrew J; Kofke, David A

    2015-03-30

    We describe the design of an object-oriented library of software components that are suitable for constructing simulations of systems of interacting particles. The emphasis of the discussion is on the general design of the components and how they interact, and less on details of the programming interface or its implementation. Example code is provided as an aid to understanding object-oriented programming structures and to demonstrate how the framework is applied.

  4. Enhancing molecular orientation by combining electrostatic and four-color laser fields

    NASA Astrophysics Data System (ADS)

    Xu, Shuwu; Yao, Yunhua; Lu, Chenhui; Jia, Tianqing; Ding, Jingxin; Zhang, Shian; Sun, Zhenrong

    2014-09-01

    We propose a scheme to enhance molecular orientation by combing an intense electrostatic field and a four-color laser field. We show that molecular orientation by the combined field can be obtained under a laser-field-free condition, and the maximal orientation degree can be enhanced by comparing with the sum of that individually created by the electrostatic field and the four-color laser field. Our results show that the orientation enhancement results from the larger asymmetry of the four-color laser field because of the existence of the electrostatic field. Furthermore, we also discuss the dependence of the orientation enhancement on the carrier-envelope phase, laser intensity, and pulse duration of the four-color laser field and the molecular rotational temperature.

  5. Mechanisms of two-color laser-induced field-free molecular orientation.

    PubMed

    Spanner, Michael; Patchkovskii, Serguei; Frumker, Eugene; Corkum, Paul

    2012-09-14

    Two mechanisms of two-color (ω+2ω) laser-induced field-free molecular orientation, based on the hyperpolarizability and ionization depletion, are explored and compared. The CO molecule is used as a computational example. While the hyperpolarizability mechanism generates small amounts of orientation at intensities below the ionization threshold, ionization depletion quickly becomes the dominant mechanism as soon as ionizing intensities are reached. Only the ionization mechanism leads to substantial orientation (e.g., on the order of ≳0.1). For intensities typical of laser-induced molecular alignment and orientation experiments, the two mechanisms lead to robust, characteristic timings of the field-free orientation wave-packet revivals relative to the alignment revivals and the revival time. The revival timings can be used to detect the active orientation mechanism experimentally.

  6. In situ study of self-assembled GaN nanowires nucleation on Si(111) by plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Hestroffer, K.; Leclere, C.; Cantelli, V.; Bougerol, C.; Renevier, H.; Daudin, B.

    2012-05-01

    Nucleation of GaN nanowires grown by plasma-assisted molecular beam epitaxy is studied through a combination of two in situ tools: grazing incidence x-ray diffraction and reflection high energy electron diffraction. Growth on bare Si(111) and on AlN/Si(111) is compared. A significantly larger delay at nucleation is observed for nanowires grown on bare Si(111). The difference in the nucleation delay is correlated to a dissimilarity of chemical reactivity between Al and Ga with nitrided Si(111).

  7. In situ study of self-assembled GaN nanowires nucleation on Si(111) by plasma-assisted molecular beam epitaxy

    SciTech Connect

    Hestroffer, K.; Daudin, B.; Leclere, C.; Renevier, H.; Cantelli, V.; Bougerol, C.

    2012-05-21

    Nucleation of GaN nanowires grown by plasma-assisted molecular beam epitaxy is studied through a combination of two in situ tools: grazing incidence x-ray diffraction and reflection high energy electron diffraction. Growth on bare Si(111) and on AlN/Si(111) is compared. A significantly larger delay at nucleation is observed for nanowires grown on bare Si(111). The difference in the nucleation delay is correlated to a dissimilarity of chemical reactivity between Al and Ga with nitrided Si(111).

  8. Aluminum Nanowire Arrays via Directed Assembly.

    PubMed

    Nesbitt, Nathan T; Merlo, Juan M; Rose, Aaron H; Calm, Yitzi M; Kempa, Krzysztof; Burns, Michael J; Naughton, Michael J

    2015-11-11

    Freestanding and vertically-oriented metal nanowire arrays have potential utility in a number of applications, but presently lack a route to fabrication. Template-based techniques, such as electrodeposition into lithographically defined nanopore arrays, have produced well-ordered nanowire arrays with a maximum pitch of about 2 μm; such nanowires, however, tend to cluster due to local attractive forces. Here, we modify this template fabrication method to produce well-ordered, vertically-oriented, freestanding Al nanowire arrays, etched from an underlying Al substrate, with highly tunable pitch. In addition, optical measurements demonstrated that the nanowires support the propagation of surface plasmon polaritons.

  9. Donor/Acceptor Molecular Orientation-Dependent Photovoltaic Performance in All-Polymer Solar Cells.

    PubMed

    Zhou, Ke; Zhang, Rui; Liu, Jiangang; Li, Mingguang; Yu, Xinhong; Xing, Rubo; Han, Yanchun

    2015-11-18

    The correlated donor/acceptor (D/A) molecular orientation plays a crucial role in solution-processed all-polymer solar cells in term of photovoltaic performance. For the conjugated polymers PTB7-th and P(NDI2OD-T2), the preferential molecular orientation of neat PTB7-th films kept face-on regardless of the properties of processing solvents. However, an increasing content of face-on molecular orientation in the neat P(NDI2OD-T2) films could be found by changing processing solvents from chloronaphthalene (CN) and o-dichlorobenzene (oDCB) to chlorobenzene (CB). Besides, the neat P(NDI2OD-T2) films also exhibited a transformation of preferential molecular orientation from face-on to edge-on when extending film drying time by casting in the same solution. Consequently, a distribution diagram of molecular orientation for P(NDI2OD-T2) films was depicted and the same trend could be observed for the PTB7-th/P(NDI2OD-T2) blend films. By manufacture of photovoltaic devices with blend films, the relationship between the correlated D/A molecular orientation and device performance was established. The short-circuit current (Jsc) of devices processed by CN, oDCB, and CB enhanced gradually from 1.24 to 8.86 mA/cm(2) with the correlated D/A molecular orientation changing from face-on/edge-on to face-on/face-on, which could be attributed to facile exciton dissociation at D/A interface with the same molecular orientation. Therefore, the power conversion efficiency (PCE) of devices processed by CN, oDCB, and CB improved from 0.53% to 3.52% ultimately.

  10. Position-controlled growth of GaN nanowires and nanotubes on diamond by molecular beam epitaxy.

    PubMed

    Schuster, Fabian; Hetzl, Martin; Weiszer, Saskia; Garrido, Jose A; de la Mata, María; Magen, Cesar; Arbiol, Jordi; Stutzmann, Martin

    2015-03-11

    In this work the position-controlled growth of GaN nanowires (NWs) on diamond by means of molecular beam epitaxy is investigated. In terms of growth, diamond can be seen as a model substrate, providing information of systematic relevance also for other substrates. Thin Ti masks are structured by electron beam lithography which allows the fabrication of perfectly homogeneous GaN NW arrays with different diameters and distances. While the wurtzite NWs are found to be Ga-polar, N-polar nucleation leads to the formation of tripod structures with a zinc-blende core which can be efficiently suppressed above a substrate temperature of 870 °C. A variation of the III/V flux ratio reveals that both axial and radial growth rates are N-limited despite the globally N-rich growth conditions, which is explained by the different diffusion behavior of Ga and N atoms. Furthermore, it is shown that the hole arrangement has no effect on the selectivity but can be used to force a transition from nanowire to nanotube growth by employing a highly competitive growth regime.

  11. The influence of covering a germanium nanowire with a single wall carbon nanotube on mechanical properties: A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Abdollahi, M.; Davoodi, J.

    2017-07-01

    Semiconductor nanowires are potential candidates for applications in quantum information processing, Josephson junctions, and field-effect transistors. Therefore, this study focused on the effects of covering a germanium nanowire (GeNW) with a single wall carbon nanotube (CNT) on the stress-strain diagram, failure points, and Young's modulus using molecular dynamics simulations. To describe the interactions between atoms in the system, we used Tersoff potential. Also, a Nose-Hoover thermostat was employed to control temperature of the system. The stress-strain curves of GeNW and GeNW inside CNT (CNT-GeNW) were obtained at various temperatures, radii, and strain velocities. It was found that coverage of GeNW with CNT led to 2-6 fold improved Young's modulus. It was also determined that a significant part of the Young's modulus in CNT-GeNW is due to the presence of CNT. Moreover, we defined the behavior of Young's modulus of GeNW as well as CNT-GeNW in the [100], [110], and [111] crystallography direction and found that Young's modulus decreased with increasing temperature. In addition, by increasing strain velocity, Young's modulus decreased for GeNW but increased for CNT-GeNW. Finally, we observed that when a GeNW is covered by a CNT, its failure point increased as compared with GeNW.

  12. Antibody-Mediated Bacteriorhodopsin Orientation for Molecular Device Architectures

    NASA Astrophysics Data System (ADS)

    Koyama, Koichi; Yamaguchi, Naoto; Miyasaka, Tsutomu

    1994-08-01

    A rational method for constructing highly oriented films of purple membrane (PM) has been established by using two kinds of bispecific antibodies with different antigen-binding sites, one binding to a specific side of bacteriorhodopsin and the other to a phospholipid hapten. A hapten monolayer deposited on a metal electrode was treated with a bispecific antibody solution and incubated with a PM suspension to produce a highly oriented PM film, as confirmed by electron microscopy in which an immunogold labeling technique was used. This antibody-mediated PM monolayer was then used in the construction of a light-sensing photoelectric device. A comparison of the two incorporated PM monolayers showed that highly efficient photocurrents were produced by the PM monolayer whose unidirectionally oriented cytoplasmic surface faces the electrode.

  13. Phonon thermal transport outside of local equilibrium in nanowires via molecular dynamics

    SciTech Connect

    Zhou Ya; Strachan, Alejandro

    2013-03-28

    We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal transport occurs under conditions away from local equilibrium with low-frequency phonons experiencing a higher thermal gradient than high-frequency ones. This results in a size-dependent increase in the effective thermal conductivity of the wire with decreasing vibrational frequencies of the contacts. The interfacial resistivity when heat flows from the wire to the contact is also size-dependent and has the same physical origin in the lack of full equilibration in short nanowires. We develop a model based on a 1D atomic chain that captures the salient physics of the MD results.

  14. Phonon thermal transport outside of local equilibrium in nanowires via molecular dynamics.

    PubMed

    Zhou, Ya; Strachan, Alejandro

    2013-03-28

    We study thermal transport through Pt nanowires that bridge planar contacts as a function of wire length and vibrational frequency of the contacts. When phonons in the contacts have lower average frequencies than those in the wires thermal transport occurs under conditions away from local equilibrium with low-frequency phonons experiencing a higher thermal gradient than high-frequency ones. This results in a size-dependent increase in the effective thermal conductivity of the wire with decreasing vibrational frequencies of the contacts. The interfacial resistivity when heat flows from the wire to the contact is also size-dependent and has the same physical origin in the lack of full equilibration in short nanowires. We develop a model based on a 1D atomic chain that captures the salient physics of the MD results.

  15. Alloy formation during molecular beam epitaxy growth of Si-doped InAs nanowires on GaAs[111]B

    PubMed Central

    Davydok, Anton; Rieger, Torsten; Biermanns, Andreas; Saqib, Muhammad; Grap, Thomas; Lepsa, Mihail Ion; Pietsch, Ullrich

    2013-01-01

    Vertically aligned InAs nanowires (NWs) doped with Si were grown self-assisted by molecular beam epitaxy on GaAs[111]B substrates covered with a thin SiOx layer. Using out-of-plane X-ray diffraction, the influence of Si supply on the growth process and nanostructure formation was studied. It was found that the number of parasitic crystallites grown between the NWs increases with increasing Si flux. In addition, the formation of a Ga0.2In0.8As alloy was observed if the growth was performed on samples covered by a defective oxide layer. This alloy formation is observed within the crystallites and not within the nanowires. The Ga concentration is determined from the lattice mismatch of the crystallites relative to the InAs nanowires. No alloy formation is found for samples with faultless oxide layers. PMID:24046494

  16. Alloy formation during molecular beam epitaxy growth of Si-doped InAs nanowires on GaAs[111]B.

    PubMed

    Davydok, Anton; Rieger, Torsten; Biermanns, Andreas; Saqib, Muhammad; Grap, Thomas; Lepsa, Mihail Ion; Pietsch, Ullrich

    2013-08-01

    Vertically aligned InAs nanowires (NWs) doped with Si were grown self-assisted by molecular beam epitaxy on GaAs[111]B substrates covered with a thin SiO x layer. Using out-of-plane X-ray diffraction, the influence of Si supply on the growth process and nanostructure formation was studied. It was found that the number of parasitic crystallites grown between the NWs increases with increasing Si flux. In addition, the formation of a Ga0.2In0.8As alloy was observed if the growth was performed on samples covered by a defective oxide layer. This alloy formation is observed within the crystallites and not within the nanowires. The Ga concentration is determined from the lattice mismatch of the crystallites relative to the InAs nanowires. No alloy formation is found for samples with faultless oxide layers.

  17. Atomistic simulations of the mechanical properties of silicon carbide nanowires

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao T.; Gao, Fei; Weber, William J.

    2008-06-25

    Molecular dynamics methods using the Tersoff bond-order potential are performed to study the nanomechanical behavior of [111]-oriented β-SiC nanowires under tension, compression, torsion, combined tension-torsion and combined compression-torsion. Under axial tensile strain, the bonds of the nanowires are just stretched before the failure of nanowires by bond breakage. The failure behavior is found to depend on size and temperatures. Under axial compressive strain, the collapse of the SiC nanowires by yielding or column buckling mode depends on the length and diameters of the nanowires, and the latter is consistent with the analysis of equivalent continuum structures using Euler buckling theory. The nanowires collapse through a phase transformation from crystal to amorphous structure in several atomic layers under torsion strain. Under combined loading the failure and buckling modes are not affected by the torsion with a small torsion rate, but the critical stress decreases with increasing the torsion rate. Torsion buckling occurs before the failure and buckling with a big torsion rate. Plastic deformation appears in the buckling zone with further increasing the combined loading.

  18. Molecular tectonics: tubular crystals with controllable channel size and orientation.

    PubMed

    Lin, Mei-Jin; Jouaiti, Abdelaziz; Pocic, David; Kyritsakas, Nathalie; Planeix, Jean-Marc; Hosseini, Mir Wais

    2010-01-07

    The combination of flexible neutral organic tectons based on two pyridines interconnected by a thioether or thioester type spacer with an inorganic ZnSiF(6) pillar leads to the formation of 2-D coordination networks and the packing of the latter generates crystals offering controllable tubular channels with imposed orientation along the pillar axis.

  19. Variable-angle ellipsometry and molecular orientation in monoclinic organic semiconductors

    NASA Astrophysics Data System (ADS)

    Tavazzi, S.; Campione, M.

    2006-02-01

    Variable-angle ellipsometry has been used to characterize oligothiophene crystals with principal axes inclined at an angle to the surface normal. The results allow deducing with high sensitivity the orientation of the molecules in these anisotropic and absorbing organic solids, thus allowing one to follow the evolution of the molecular orientation after inducing the transition of the crystallographic structure between the two polymorphs of quaterthiophene. This material is representative of a large class of solids with technological applications in either crystal or thin-film form, where different structural properties and molecular orientation may arise from different preparation conditions.

  20. Molecular Water Lilies: Orienting Single Molecules in a Polymer Film by Solvent Vapor Annealing.

    PubMed

    Würsch, Dominik; Hofmann, Felix J; Eder, Theresa; Aggarwal, A Vikas; Idelson, Alissa; Höger, Sigurd; Lupton, John M; Vogelsang, Jan

    2016-11-17

    The microscopic orientation and position of photoactive molecules is crucial to the operation of optoelectronic devices such as OLEDs and solar cells. Here, we introduce a shape-persistent macrocyclic molecule as an excellent fluorescent probe to simply measure (i) its orientation by rotating the excitation polarization and recording the strength of modulation in photoluminescence (PL) and (ii) its position in a film by analyzing the overall PL brightness at the molecular level. The unique shape, the absorption and the fluorescence properties of this probe yield information on molecular orientation and position. We control orientation and positioning of the probe in a polymer film by solvent vapor annealing (SVA). During the SVA process the molecules accumulate at the polymer/air interface, where they adopt a flat orientation, much like water lilies on the surface of a pond. The results are potentially significant for OLED fabrication and single-molecule spectroscopy (SMS) in general.

  1. Ultrafast electron transfer at organic semiconductor interfaces: Importance of molecular orientation

    DOE PAGES

    Ayzner, Alexander L.; Nordlund, Dennis; Kim, Do -Hwan; ...

    2014-12-04

    Much is known about the rate of photoexcited charge generation in at organic donor/acceptor (D/A) heterojunctions overaged over all relative arrangements. However, there has been very little experimental work investigating how the photoexcited electron transfer (ET) rate depends on the precise relative molecular orientation between D and A in thin solid films. This is the question that we address in this work. We find that the ET rate depends strongly on the relative molecular arrangement: The interface where the model donor compound copper phthalocyanine is oriented face-on with respect to the fullerene C60 acceptor yields a rate that is approximatelymore » 4 times faster than that of the edge-on oriented interface. Our results suggest that the D/A electronic coupling is significantly enhanced in the face-on case, which agrees well with theoretical predictions, underscoring the importance of controlling the relative interfacial molecular orientation.« less

  2. Ultrafast electron transfer at organic semiconductor interfaces: Importance of molecular orientation

    SciTech Connect

    Ayzner, Alexander L.; Nordlund, Dennis; Kim, Do -Hwan; Bao, Zhenan; Toney, Michael F.

    2014-12-04

    Much is known about the rate of photoexcited charge generation in at organic donor/acceptor (D/A) heterojunctions overaged over all relative arrangements. However, there has been very little experimental work investigating how the photoexcited electron transfer (ET) rate depends on the precise relative molecular orientation between D and A in thin solid films. This is the question that we address in this work. We find that the ET rate depends strongly on the relative molecular arrangement: The interface where the model donor compound copper phthalocyanine is oriented face-on with respect to the fullerene C60 acceptor yields a rate that is approximately 4 times faster than that of the edge-on oriented interface. Our results suggest that the D/A electronic coupling is significantly enhanced in the face-on case, which agrees well with theoretical predictions, underscoring the importance of controlling the relative interfacial molecular orientation.

  3. Control of GaP nanowire morphology by group V flux in gas source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kuyanov, P.; Boulanger, J.; LaPierre, R. R.

    2017-03-01

    GaP nanowires (NWs) were grown on a Si substrate by gas source molecular beam epitaxy using self-assisted growth. Selective-area growth was achieved using a patterned oxide mask. Periodic GaAsP marker layers were introduced during growth to study the growth progression using transmission electron microscopy. We demonstrate control of the NW morphology via the V/III flux ratio, the pattern pitch, and the oxide hole diameter. As the V/III flux ratio was increased from 1 to 6, the NWs showed a reduced top diameter and increased height. Reduced oxide hole diameter and increased V/III flux ratio caused the Ga droplet to be consumed partway through the growth for some NWs, leading to a switch from VLS group V limited growth to diffusion limited growth.

  4. Growth of wurtzite InP/GaP core-shell nanowires by metal-organic molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Halder, Nripendra N.; Kelrich, Alexander; Kauffmann, Yaron; Cohen, Shimon; Ritter, Dan

    2017-04-01

    We report on the selective area vapor-liquid-solid (SA-VLS) growth of InP/GaP core shell nano-wires (NWs) by metal organic molecular beam epitaxy. Wurtzite crystal structure of the core InP was transferred to the GaP shell through layer by layer radial growth which eliminated bending of the NWs in random directions. Low growth temperature restricted surface segregation and kept the shell free from indium. Strain in the GaP shell was partially relaxed through formation of periodic misfit dislocations. From the periodicity of Moiré fringes and splitting of the fast-Fourier-transform of the transmission electron micrographs, the radial and axial strain were determined as 4.5% and 6.2%, respectively.

  5. Complementary Metal Oxide Semiconductor-Compatible, High-Mobility, ⟨111⟩-Oriented GaSb Nanowires Enabled by Vapor-Solid-Solid Chemical Vapor Deposition.

    PubMed

    Yang, Zai-Xing; Liu, Lizhe; Yip, SenPo; Li, Dapan; Shen, Lifan; Zhou, Ziyao; Han, Ning; Hung, Tak Fu; Pun, Edwin Yue-Bun; Wu, Xinglong; Song, Aimin; Ho, Johnny C

    2017-04-05

    Using CMOS-compatible Pd catalysts, we demonstrated the formation of high-mobility ⟨111⟩-oriented GaSb nanowires (NWs) via vapor-solid-solid (VSS) growth by surfactant-assisted chemical vapor deposition through a complementary experimental and theoretical approach. In contrast to NWs formed by the conventional vapor-liquid-solid (VLS) mechanism, cylindrical-shaped Pd5Ga4 catalytic seeds were present in our Pd-catalyzed VSS-NWs. As solid catalysts, stoichiometric Pd5Ga4 was found to have the lowest crystal surface energy and thus giving rise to a minimal surface diffusion as well as an optimal in-plane interface orientation at the seed/NW interface for efficient epitaxial NW nucleation. These VSS characteristics led to the growth of slender NWs with diameters down to 26.9 ± 3.5 nm. Over 95% high crystalline quality NWs were grown in ⟨111⟩ orientation for a wide diameter range of between 10 and 70 nm. Back-gated field-effect transistors (FETs) fabricated using the Pd-catalyzed GaSb NWs exhibit a superior peak hole mobility of ∼330 cm(2) V(-1) s(-1), close to the mobility limit for a NW channel diameter of ∼30 nm with a free carrier concentration of ∼10(18) cm(-3). This suggests that the NWs have excellent homogeneity in phase purity, growth orientation, surface morphology and electrical characteristics. Contact printing process was also used to fabricate large-scale assembly of Pd-catalyzed GaSb NW parallel arrays, confirming the potential constructions and applications of these high-performance electronic devices.

  6. Reversible cyclic deformation mechanism of gold nanowires by twinning-detwinning transition evidenced from in situ TEM

    NASA Astrophysics Data System (ADS)

    Lee, Subin; Im, Jiseong; Yoo, Youngdong; Bitzek, Erik; Kiener, Daniel; Richter, Gunther; Kim, Bongsoo; Oh, Sang Ho

    2014-01-01

    Mechanical response of metal nanowires has recently attracted a lot of interest due to their ultra-high strengths and unique deformation behaviours. Atomistic simulations have predicted that face-centered cubic metal nanowires deform in different modes depending on the orientation between wire axis and loading direction. Here we report, by combination of in situ transmission electron microscopy and molecular dynamic simulation, the conditions under which particular deformation mechanisms take place during the uniaxial loading of [110]-oriented Au nanowires. Furthermore, by performing cyclic uniaxial loading, we show reversible plastic deformation by twinning and consecutive detwinning in tension and compression, respectively. Molecular dynamics simulations rationalize the observed behaviours in terms of the orientation-dependent resolved shear stress on the leading and trailing partial dislocations, their potential nucleation sites and energy barriers. This reversible twinning-detwinning process accommodates large strains that can be beneficially utilized in applications requiring high ductility in addition to ultra-high strength.

  7. Orientational order parameter estimated from molecular polarizabilities - an optical study

    NASA Astrophysics Data System (ADS)

    Lalitha Kumari, J.; Datta Prasad, P. V.; Madhavi Latha, D.; Pisipati, V. G. K. M.

    2012-01-01

    An optical study of N-(p-n-alkyloxybenzylidene)-p-n-butyloxyanilines, nO.O4 compounds with the alkoxy chain number n = 1, 3, 6, 7, and 10 has been carried out by measuring the refractive indices using modified spectrometer and direct measurement of birefringence employing the Newton's rings method. Further, the molecular polarizability anisotropies are evaluated using Lippincott δ-function model, the molecular vibration method, Haller's extrapolation method, and scaling factor method. The molecular polarizabilities α e and α 0 are calculated using Vuk's isotropic and Neugebauer anisotropic local field models. The order parameter S is estimated by employing the molecular polarizability values determined from experimental refractive indices and density data and the polarizability anisotropy values. Further, the order parameter S is also obtained directly from the birefringence data. A comparison has been carried out among the order parameter obtained from different ways and the results are compared with the body of the data available in the literature.

  8. Quantitative Sum-Frequency Generation Vibrational Spectroscopy of Molecular Surfaces and Interfaces: Lineshape, Polarization and Orientation

    SciTech Connect

    Wang, Hongfei; Velarde, Luis; Gan, Wei; Fu, Li

    2015-04-01

    Sum-frequency generation vibrational spectroscopy (SFG) can provide detailed information and understanding of molecular vibrational spectroscopy, orientational and conformational structure, and interactions of molecular surfaces and interfaces, through quantitative measurement and analysis. In this review, we present the current status and discuss the main developments on the measurement of intrinsic SFG spectral lineshape, formulations for polarization measurement and orientation analysis of the SFG-VS spectra. The main focus is to present a coherent formulation and discuss the main concepts or issues that can help to make SFG-VS a quantitative analytical and research tool in revealing the chemistry and physics of complex molecular surface and interface.

  9. Precursor Powders-to-CsPbX3 Perovksite Nanowires: One-pot Synthesis, Growth Mechanism and Oriented Self-assemblies.

    PubMed

    Polavarapu, Lakshminarayana; Tong, Yu; Bohn, Bernhard J; Bladt, Eva; Wang, Kun; Müller-Buschbaum, Peter; Bals, Sara; Urban, Alexander S; Feldmann, Jochen

    2017-08-21

    Colloidal synthesis and assembly of semiconductor nanowires continue to attract a great deal of research attention. Here, we demonstrate a single-step ligand-mediated synthesis of single-crystalline CsPbBr3 perovskite NWs directly from precursor powders. Shedding light on the reaction process and morphological evolution reveals that the initially formed CsPbBr3 nanocubes transform into NWs through an oriented attachment mechanism. The optical properties of the NWs can be tuned across the entire visible range by varying the halide (Cl, Br and I) composition through a subsequent halide ion exchange. Single particle studies show that these NWs exhibit strong polarized emission with a polarization anisotropy of 0.36. More importantly, we show that the NWs can self-assemble in a quasi-oriented fashion at an air/liquid interface. This process should also be easily applicable to perovskite nanocrystals of varying morphology for their integration into future nanoscale optoelectronic devices. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Far field emission profile of pure wurtzite InP nanowires

    SciTech Connect

    Bulgarini, Gabriele Reimer, Michael E.; Zwiller, Val; Dalacu, Dan; Poole, Philip J.; Lapointe, Jean

    2014-11-10

    We report on the far field emission profile of pure wurtzite InP nanowires in comparison to InP nanowires with predominantly zincblende crystal structure. The emission profile is measured on individual nanowires using Fourier microscopy. The most intense photoluminescence of wurtzite nanowires is collected at small angles with respect to the nanowire growth axis. In contrast, zincblende nanowires present a minimum of the collected light intensity in the direction of the nanowire growth. Results are explained by the orientation of electric dipoles responsible for the photoluminescence, which is different from wurtzite to zincblende. Wurtzite nanowires have dipoles oriented perpendicular to the nanowire growth direction, whereas zincblende nanowires have dipoles oriented along the nanowire axis. This interpretation is confirmed by both numerical simulations and polarization dependent photoluminescence spectroscopy. Knowledge of the dipole orientation in nanostructures is crucial for developing a wide range of photonic devices such as light-emitting diodes, photodetectors, and solar cells.

  11. Selective-area growth of GaN nanowires on SiO{sub 2}-masked Si (111) substrates by molecular beam epitaxy

    SciTech Connect

    Kruse, J. E.; Doundoulakis, G.; Lymperakis, L.; Eftychis, S.; Georgakilas, A.; Adikimenakis, A.; Tsagaraki, K.; Androulidaki, M.; Konstantinidis, G.; Olziersky, A.; Dimitrakis, P.; Ioannou-Sougleridis, V.; Normand, P.; Koukoula, T.; Kehagias, Th.; Komninou, Ph.

    2016-06-14

    We analyze a method to selectively grow straight, vertical gallium nitride nanowires by plasma-assisted molecular beam epitaxy (MBE) at sites specified by a silicon oxide mask, which is thermally grown on silicon (111) substrates and patterned by electron-beam lithography and reactive-ion etching. The investigated method requires only one single molecular beam epitaxy MBE growth process, i.e., the SiO{sub 2} mask is formed on silicon instead of on a previously grown GaN or AlN buffer layer. We present a systematic and analytical study involving various mask patterns, characterization by scanning electron microscopy, transmission electron microscopy, and photoluminescence spectroscopy, as well as numerical simulations, to evaluate how the dimensions (window diameter and spacing) of the mask affect the distribution of the nanowires, their morphology, and alignment, as well as their photonic properties. Capabilities and limitations for this method of selective-area growth of nanowires have been identified. A window diameter less than 50 nm and a window spacing larger than 500 nm can provide single nanowire nucleation in nearly all mask windows. The results are consistent with a Ga diffusion length on the silicon dioxide surface in the order of approximately 1 μm.

  12. Single crystalline La0.7Sr0.3MnO3 molecular sieve nanowires with high temperature ferromagnetism.

    PubMed

    Carretero-Genevrier, Adrián; Gázquez, Jaume; Idrobo, Juan Carlos; Oró, Judith; Arbiol, Jordi; Varela, María; Ferain, Etienne; Rodríguez-Carvajal, Juan; Puig, Teresa; Mestres, Narcís; Obradors, Xavier

    2011-03-23

    Porous mixed-valent manganese oxides are a group of multifunctional materials that can be used as molecular sieves, catalysts, battery materials, and gas sensors. However, material properties and thus activity can vary significantly with different synthesis methods or process conditions, such as temperature and time. Here, we report on a new synthesis route for MnO(2) and LaSr-doped molecular sieve single crystalline nanowires based on a solution chemistry methodology combined with the use of nanoporous polymer templates supported on top of single crystalline substrates. Because of the confined nucleation in high aspect ratio nanopores and of the high temperatures attained, new structures with novel physical properties have been produced. During the calcination process, the nucleation and crystallization of ε-MnO(2) nanoparticles with a new hexagonal structure is promoted. These nanoparticles generated up to 30 μm long and flexible hexagonal nanowires at mild growth temperatures (T(g) = 700 °C) as a consequence of the large crystallographic anisotropy of ε-MnO(2). The nanocrystallites of MnO(2) formed at low temperatures serve as seeds for the growth of La(0.7)Sr(0.3)MnO(3) nanowires at growth temperatures above 800 °C, through the diffusion of La and Sr into the empty 1D-channels of ε-MnO(2). Our particular growth method has allowed the synthesis of single crystalline molecular sieve (LaSr-2 × 4) monoclinic nanowires with composition La(0.7)Sr(0.3)MnO(3) and with ordered arrangement of La(3+) and Sr(2+) cations inside the 1D-channels. These nanowires exhibit ferromagnetic ordering with strongly enhanced Curie temperature (T(c) > 500 K) that probably results from the new crystallographic order and from the mixed valence of manganese.

  13. BALLView: An object-oriented molecular visualization and modeling framework

    NASA Astrophysics Data System (ADS)

    Moll, Andreas; Hildebrandt, Andreas; Lenhof, Hans-Peter; Kohlbacher, Oliver

    2005-11-01

    We present BALLView, an extensible tool for visualizing and modeling bio-molecular structures. It provides a variety of different models for bio-molecular visualization, e.g. ball-and-stick models, molecular surfaces, or ribbon models. In contrast to most existing visualization tools, BALLView also offers rich functionality for molecular modeling and simulation, including molecular mechanics methods (AMBER and CHARMM force fields), continuum electrostatics methods employing a Finite-Difference Poisson Boltzmann solver, and secondary structure calculation. Results of these computations can be exported as publication quality images or as movies. Even unexperienced users have direct access to this functionality through an intuitive graphical user interface, which makes BALLView particularly useful for teaching. For more advanced users, BALLView is extensible in different ways. Owing to its framework design, extension on the level of C‰+‰‰+ code is very convenient. In addition, an interface to the scripting language Python allows the interactive rapid prototyping of new methods. BALLView is portable and runs on all major platforms (Windows, MacOS X, Linux, most Unix flavors). It is available free of charge under the GNU Public License (GPL) from our website http://www.ballview.org.

  14. Universality and specificity in molecular orientation in anisotropic gels prepared by diffusion method.

    PubMed

    Maki, Yasuyuki; Furusawa, Kazuya; Yasuraoka, Sho; Okamura, Hideki; Hosoya, Natsuki; Sunaga, Mari; Dobashi, Toshiaki; Sugimoto, Yasunobu; Wakabayashi, Katsuzo

    2014-08-08

    Molecular orientation in anisotropic gels of chitosan, Curdlan and DNA obtained by dialysis of those aqueous solutions in gelation-inducing solutions was investigated. In this diffusion method (or dialysis method), the gel formation was induced by letting small molecules diffuse in or out of the polymer solutions through the surface. For the gels of DNA and chitosan, the polymer chains aligned perpendicular to the diffusion direction. The same direction of molecular orientation was observed for the Curdlan gel prepared in the dialysis cell. On the other hand, a peculiar nature was observed for the Curdlan gel prepared in the dialysis tube: the molecular orientation was perpendicular to the diffusion direction in the outermost layer of the gel, while the orientation was parallel to the diffusion direction in the inner translucent layer. The orientation parallel to the diffusion direction is attributed to a small deformation of the inner translucent layer caused by a slight shrinkage of the central region after the gel formation. At least near the surface of the gel, the molecular orientation perpendicular to the diffusion direction is a universal characteristic for the gels prepared by the diffusion method. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Bulk and Surface Molecular Orientation Distribution in Injection-molded Liquid Crystalline Polymers: Experiment and Simulation

    SciTech Connect

    Fang, J.; Burghardt, W; Bubeck, R; Burgard, S; Fischer, D

    2010-01-01

    Bulk and surface distributions of molecular orientation in injection-molded plaques of thermotropic liquid crystalline polymers (TLCPs) have been studied using a combination of techniques, coordinated with process simulations using the Larson-Doi 'polydomain' model. Wide-angle X-ray scattering was used to map out the bulk orientation distribution. Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR) and Near-Edge X-ray Absorption Fine Structure (NEXAFS) were utilized to probe the molecular orientation states to within about {approx}5 {micro}m and {approx}2 nm, respectively, of the sample surface. These noninvasive, surface-sensitive techniques yield reasonable self-consistency, providing complementary validation of the robustness of these methods. An analogy between Larson-Doi and fiber orientation models has allowed the first simulations of TLCP injection molding. The simulations capture many fine details in the bulk orientation distribution across the sample plaque. Direct simulation of surface orientation at the level probed by FTIR-ATR and NEXAFS was not possible due to the limited spatial resolution of the simulations. However, simulation results extracted from the shear-dominant skin region are found to provide a qualitatively accurate indicator of surface orientation. Finally, simulations capture the relation between bulk and surface orientation states across the different regions of the sample plaque.

  16. The molecular mechanisms of sexual orientation and gender identity.

    PubMed

    Fisher, Alessandra D; Ristori, Jiska; Morelli, Girolamo; Maggi, Mario

    2017-08-25

    Differences between males and females are widely represented in nature. There are gender differences in phenotypes, personality traits, behaviors and interests, cognitive performance, and proneness to specific diseases. The most marked difference in humans is represented by sexual orientation and core gender identity, the origins of which are still controversial and far from being understood. Debates continue on whether sexual behavior and gender identity are a result of biological (nature) or cultural (nurture) factors, with biology possibly playing a major role. The main goal of this review is to summarize the studies available to date on the biological factors involved in the development of both sexual orientation and gender identity. A systematic search of published evidence was performed using Medline (from January 1948 to June 2017). Review of the relevant literature was based on authors' expertise. Indeed, different studies have documented the possible role and interaction of neuroanatomic, hormonal and genetic factors. The sexual dimorphic brain is considered the anatomical substrate of psychosexual development, on which genes and gonadal hormones may have a shaping effect. In particular, growing evidence shows that prenatal and pubertal sex hormones permanently affect human behavior. In addition, heritability studies have demonstrated a role of genetic components. However, a convincing candidate gene has not been identified. Future studies (e.i. genome wide studies) are needed to better clarify the complex interaction between genes, anatomy and hormonal influences on psychosexual development. Copyright © 2017. Published by Elsevier B.V.

  17. Computational Study of Orientation-dependent Molecular High Harmonic Spectra

    NASA Astrophysics Data System (ADS)

    Dutoi, Anthony; Seideman, Tamar

    2007-03-01

    Recently, there has been much interest in high harmonic generation (HHG) by aligned molecules [Phys. Rev. A 67 023819, Nature 432 867, Nature 435 470]. During HHG, an electron is ionized and driven back to the cation by a strong, low-frequency field, and radiation is emitted at harmonics of this driving pulse. Because this process is sensitive to the orientation of a molecule, rotational dynamics can be probed on very short time scales. We are working to predict the time-dependent HHG spectra for aligned rotational wavepackets. In conjunction with experiment, these simulations should be valuable for studying the loss of rotational coherence in media such as dense gases. Within the presented formalism, Born-Oppenheimer rotational dynamics are handled exactly, while HHG at any given orientation is estimated by numerical time integration of a one-electron Schr"odinger equation. Propagation outside of the integration grid can be handled using an analytical Volkov propagator at the expense of ignoring the cation field at this distance.

  18. Sb-induced phase control of InAsSb nanowires grown by molecular beam epitaxy.

    PubMed

    Zhuang, Q D; Anyebe, Ezekiel A; Chen, R; Liu, H; Sanchez, Ana M; Rajpalke, Mohana K; Veal, Tim D; Wang, Z M; Huang, Y Z; Sun, H D

    2015-02-11

    For the first time, we report a complete control of crystal structure in InAs(1-x)Sb(x) NWs by tuning the antimony (Sb) composition. This claim is substantiated by high-resolution transmission electron microscopy combined with photoluminescence spectroscopy. The pure InAs nanowires generally show a mixture of wurtzite (WZ) and zinc-blende (ZB) phases, where addition of a small amount of Sb (∼2-4%) led to quasi-pure WZ InAsSb NWs, while further increase of Sb (∼10%) resulted in quasi-pure ZB InAsSb NWs. This phase transition is further evidenced by photoluminescence (PL) studies, where a dominant emission associated with the coexistence of WZ and ZB phases is present in the pure InAs NWs but absent in the PL spectrum of InAs0.96Sb0.04 NWs that instead shows a band-to-band emission. We also demonstrate that the Sb addition significantly reduces the stacking fault density in the NWs. This study provides new insights on the role of Sb addition for effective control of nanowire crystal structure.

  19. Electronic polymers and DNA self-assembled in nanowire transistors.

    PubMed

    Hamedi, Mahiar; Elfwing, Anders; Gabrielsson, Roger; Inganäs, Olle

    2013-02-11

    Aqueous self-assembly of DNA and molecular electronic materials can lead to the creation of innumerable copies of identical devices, and inherently programmed complex nanocircuits. Here self-assembly of a water soluble and highly conducting polymer PEDOT-S with DNA in aqueous conditions is shown. Orientation and assembly of the conducting DNA/PEDOT-S complex into electrochemical DNA nanowire transistors is demonstrated.

  20. The role of the crystal orientation (c-axis) on switching field distribution and the magnetic domain configuration in electrodeposited hcp Co-Pt nanowires

    NASA Astrophysics Data System (ADS)

    Shahid Arshad, Muhammad; Proenca, Mariana P.; Trafela, Spela; Neu, Volker; Wolff, Ulrike; Stienen, Sven; Vazquez, Manuel; Kobe, Spomenka; Žužek Rožman, Kristina

    2016-05-01

    In this report, Co-Pt nanowires (NWs) were produced via potentiostatic electrodeposition into commonly used commercial ordered-alumina and disordered-polycarbonate membranes with similar pore diameters (≈200 nm). The pore diameter of the membranes and the deposition conditions were chosen such that the Co-Pt NWs fabricated into both membranes had a hexagonal close packed (hcp) crystal structure with a crystallographic texturing of the c-axis in the direction perpendicular to the NWs’ long axis; this effect was more pronounced in the alumina membranes. Due to the local fluctuation in electrodeposition conditions (pore diameter, pore shape), we have found a small variation in the c-axis orientations in the plane perpendicular to the NWs’ long axis. Magnetic characterizations suggested that there is uniaxial anisotropy perpendicular to the Co-Pt NWs’ long axis and the small variation in the orientation of the hcp c-axis plays an important role in the switching-field distribution and the magnetic domain structure of the Co-Pt NWs. First order reversal curves (FORCs) revealed week magnetostatic interactions between Co-Pt NWs, thus suggesting that the different pore alignments are not influencing much the magnetic properties in both membranes. The micromagnetic simulation revealed that the transverse-stripe (TS) and longitudinal stripe (LS) domains are energetically most favorable structures in such NWs. This study accentuates the influence of the crystal orientation (c-axis) of the high-anisotropy materials on their functional magnetic properties and thus is of great importance for the fabrication of nanodevices based on such NWs.

  1. Micro Photoluminescence Study of Axial GaAsSb Nanowires by Molecular Beam Epitaxy for Wide Array of Information

    NASA Astrophysics Data System (ADS)

    Harrington, Jordan A.

    Nanowires (NWs) have gained significant attention due to their potential for enhanced performance in optoelectronic devices and optical telecommunication applications. III-V NWs, in particular, are very attractive for these applications due to their high intrinsic mobility, tunable bandgap, high absorption coefficient and strain tolerance. In this thesis, use of micro photoluminescence (mu-PL) spectroscopy on axial GaAsSb NWs grown by molecular beam epitaxy (MBE) has been demonstrated to obtain a wide array of information. Effect of Sb composition was studied for bandgap tuning in which bandgap of 1.13 eV has been demonstrated for 16 at. % Sb. Effect of AlGaAs passivation layer was investigated by PL and shown to improve optical quality of NWs. Single nanowire PL measurement confirmed compositional homogeneity in the ensemble NWs. Patterned NWs with increasing pitch length were analyzed for band gap tuning by PL spectra. Laser excitation dependent PL of the NWs revealed a change in the nature of the optical transitions from type II to type I with increase in Sb composition. Temperature dependent PL analysis in the temperature range from 4 K to 293 K provided explanation on the nature of recombination mechanisms and defects. Finally, tellurium (Te) incorporation in GaAsSb NWs was investigated by mu-PL spectroscopy to study the effect of doping. Narrow PL peak with high PL emission and room temperature PL of good intensity were indicative of growth of good quality NWs by MBE. Thus, (mu-PL) spectroscopy has been shown to be a powerful contactless tool for the investigation of opto-electronic properties of the NWs.

  2. Structural characterization of nanowires and nanowire arrays

    NASA Astrophysics Data System (ADS)

    Becker, Catherine Rose

    Nanowires, which have diameter less than a few hundred nanometers and high aspect ratios, may have the same properties as their corresponding bulk materials, or may exhibit unique properties due to their confined dimensions and increased surface to volume ratios. They are a popular field of technological investigation in applications that depend on the transport of charge carriers, because of expectations that microcircuit miniaturization will lead to the next boom in the electronics industry. In this work, the high spatial resolution afforded by transmission electron microscopy (TEM) is used to study nanowires formed by electrochemical deposition into porous alumina templates. The goal is to determine the effect of the synthesis and subsequent processing on the microstructure and crystallinity of the wires. A thorough understanding of the microstructural features of a material is vital for optimizing its performance in a desired application. Two material systems were studied in this work. The first is bismuth telluride (Bi 2Te3), which is used in thermoelectric applications. The second is metallic copper, the electrochemical deposition of which is of interest for interconnects in semiconductor devices. The first part of this work utilized TEM to obtain a thorough characterization of the microstructural features of individual Bi2Te3 nanowires following release from the templates. As deposited, the nanowires are fine grained and exhibit significant lattice strain. Annealing increases the grain size and dislocations are created to accommodate the lattice strain. The degree of these microstructural changes depends on the thermal treatment. However, no differences were seen in the nanowire microstructure as a function of the synthetic parameters. The second part of this work utilized a modified dark field TEM technique in order to obtain a spatially resolved, semi-quantitative understanding of the evolution of preferred orientation as a function of the electrochemical

  3. Crystal orientation mechanism of ZnTe epilayers formed on different orientations of sapphire substrates by molecular beam epitaxy

    SciTech Connect

    Nakasu, T. Yamashita, S.; Aiba, T.; Hattori, S.; Sun, W.; Taguri, K.; Kazami, F.; Kobayashi, M.

    2014-10-28

    The electrooptic effect in ZnTe has recently attracted research attention, and various device structures using ZnTe have been explored. For application to practical terahertz wave detector devices based on ZnTe thin films, sapphire substrates are preferred because they enable the optical path alignment to be simplified. ZnTe/sapphire heterostructures were focused upon, and ZnTe epilayers were prepared on highly mismatched sapphire substrates by molecular beam epitaxy. Epitaxial relationships between the ZnTe thin films and the sapphire substrates with their various orientations were investigated using an X-ray diffraction pole figure method. (0001) c-plane, (1-102) r-plane, (1-100) m-plane, and (11-20) a-plane oriented sapphire substrates were used in this study. The epitaxial relationship between ZnTe and c-plane sapphire was found to be (111) ZnTe//(0001) sapphire with an in-plane orientation relationship of [−211] ZnTe//[1-100] sapphire. It was found that the (211)-plane ZnTe layer was grown on the m-plane of the sapphire substrates, and the (100)-plane ZnTe layer was grown on the r-plane sapphire. When the sapphire substrates were inclined from the c-plane towards the m-axis direction, the orientation of the ZnTe thin films was then tilted from the (111)-plane to the (211)-plane. The c-plane of the sapphire substrates governs the formation of the (111) ZnTe domain and the ZnTe epilayer orientation. These crystallographic features were also related to the atom arrangements of ZnTe and sapphire.

  4. The use of photolithography on molecular orientation of the liquid crystals

    NASA Astrophysics Data System (ADS)

    Yilmaz, Suleyman

    2017-02-01

    The photolithography was used on molecular orientation of liquid crystals as an alternative to other conventional methods. Either planar or homeotropic orientation were provided with surface anchoring energy for the molecular alignment. The photolithography were applied to provide micro-grooving on the film surface, which is including polyimide coatings, UV exposure, chemical etching and thermal curing process, respectively. Three type liquid crystal cells were made by provided rubbing and photolithography for planar alignment and also homeotropic alignment. Electro-optical properties of the liquid crystals were examined under the electric field at phase transition region for three type liquid crystal cells. It was observed that the photolithographic method was the more effective and acceptable results than the other conventional methods on the molecular orientations.

  5. Effects of substrate orientation on the growth of InSb nanostructures by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Chou, C. Y.; Torfi, A.; Pei, C.; Wang, W. I.

    2016-05-01

    In this work, the effects of substrate orientation on InSb quantum structure growth by molecular beam epitaxy (MBE) are presented. Motivated by the observation that (411) evolves naturally as a stable facet during MBE crystal growth, comparison studies have been carried out to investigate the effects of the crystal orientation of the underlying GaSb substrate on the growth of InSb by MBE. By depositing InSb on a number of different substrate orientations, namely: (100), (311), (411), and (511), a higher nanostructure density was observed on the (411) surface compared with the other orientations. This result suggests that the (411) orientation presents a superior surface in MBE growth to develop a super-flat GaSb buffer surface, naturally favorable for nanostructure growth.

  6. Tuning Open-Circuit Voltage in Organic Solar Cells with Molecular Orientation.

    PubMed

    Kitchen, Brent; Awartani, Omar; Kline, R Joseph; McAfee, Terry; Ade, Harald; O'Connor, Brendan T

    2015-06-24

    The role of molecular orientation of a polar conjugated polymer in polymer-fullerene organic photovoltaic (OPV) cells is investigated. A planar heterojunction (PHJ) OPV cell composed of poly(3-hexylthiophene) (P3HT) and [6,6]-phenyl C61-butyric acid methyl ester (PCBM) is used as a model system to isolate the effect of the interfacial orientation on the photovoltaic properties. The molecular orientation of the aggregate P3HT relative to the PCBM layer is varied from highly edge-on (conjugated ring plane perpendicular to the interface plane) to appreciably face-on (ring plane parallel to the interface). It is found that as the P3HT stacking becomes more face-on there is a positive correlation to the OPV open-circuit voltage (V(OC)), attributed to a shift in the highest occupied molecular orbital (HOMO) energy level of P3HT. In addition, the PHJ OPV cell with a broad P3HT stacking orientation distribution has a V(OC) comparable to an archetypal bulk heterojunction (BHJ) device. These results suggest that, in the BHJ OPV cell, the hole energy level in the charge transfer state is defined in part by the orientation distribution of the P3HT at the interface with PCBM. Finally, the photoresponses of the devices are also shown to have a dependence on P3HT stacking orientation.

  7. Effect of horizontal molecular orientation on triplet-exciton diffusion in amorphous organic films

    NASA Astrophysics Data System (ADS)

    Sawabe, T.; Takasu, I.; Yonehara, T.; Ono, T.; Yoshida, J.; Enomoto, S.; Amemiya, I.; Adachi, C.

    2012-09-01

    Triplet harvesting is a candidate technology for highly efficient and long-life white OLEDs, where green or red phosphorescent emitters are activated by the triplet-excitons diffused from blue fluorescent emitters. We examined two oxadiazole-based electron transport materials with different horizontal molecular orientation as a triplet-exciton diffusion layer (TDL) in triplet-harvesting OLEDs. The device characteristics and the transient electroluminescent analyses of the red phosphorescent emitter showed that the triplet-exciton diffusion was more effective in the highly oriented TDL. The results are ascribed to the strong orbital overlap between the oriented molecules, which provides rapid electron exchange (Dexter energy transfer) in the TDL.

  8. Molecular nitrogen acceptors in ZnO nanowires induced by nitrogen plasma annealing

    NASA Astrophysics Data System (ADS)

    Ton-That, C.; Zhu, L.; Lockrey, M. N.; Phillips, M. R.; Cowie, B. C. C.; Tadich, A.; Thomsen, L.; Khachadorian, S.; Schlichting, S.; Jankowski, N.; Hoffmann, A.

    2015-07-01

    X-ray absorption near-edge spectroscopy, photoluminescence, cathodoluminescence, and Raman spectroscopy have been used to investigate the chemical states of nitrogen dopants in ZnO nanowires. It is found that nitrogen exists in multiple states: NO,NZn, and loosely bound N2 molecule. The results establish a direct link between a donor-acceptor pair emission at 3.232 eV and the concentration of loosely bound N2. This work confirms that N2 at Zn site is a potential candidate for producing a shallow acceptor state in N-doped ZnO as theoretically predicted by Lambrecht and Boonchun [Phys. Rev. B 87, 195207 (2013), 10.1103/PhysRevB.87.195207]. Additionally, shallow acceptor states arising from NO complexes have been ruled out in this paper.

  9. Cellular automata with object-oriented features for parallel molecular network modeling.

    PubMed

    Zhu, Hao; Wu, Yinghui; Huang, Sui; Sun, Yan; Dhar, Pawan

    2005-06-01

    Cellular automata are an important modeling paradigm for studying the dynamics of large, parallel systems composed of multiple, interacting components. However, to model biological systems, cellular automata need to be extended beyond the large-scale parallelism and intensive communication in order to capture two fundamental properties characteristic of complex biological systems: hierarchy and heterogeneity. This paper proposes extensions to a cellular automata language, Cellang, to meet this purpose. The extended language, with object-oriented features, can be used to describe the structure and activity of parallel molecular networks within cells. Capabilities of this new programming language include object structure to define molecular programs within a cell, floating-point data type and mathematical functions to perform quantitative computation, message passing capability to describe molecular interactions, as well as new operators, statements, and built-in functions. We discuss relevant programming issues of these features, including the object-oriented description of molecular interactions with molecule encapsulation, message passing, and the description of heterogeneity and anisotropy at the cell and molecule levels. By enabling the integration of modeling at the molecular level with system behavior at cell, tissue, organ, or even organism levels, the program will help improve our understanding of how complex and dynamic biological activities are generated and controlled by parallel functioning of molecular networks. Index Terms-Cellular automata, modeling, molecular network, object-oriented.

  10. Vertically aligned GaAs nanowires on graphite and few-layer graphene: generic model and epitaxial growth.

    PubMed

    Munshi, A Mazid; Dheeraj, Dasa L; Fauske, Vidar T; Kim, Dong-Chul; van Helvoort, Antonius T J; Fimland, Bjørn-Ove; Weman, Helge

    2012-09-12

    By utilizing the reduced contact area of nanowires, we show that epitaxial growth of a broad range of semiconductors on graphene can in principle be achieved. A generic atomic model is presented which describes the epitaxial growth configurations applicable to all conventional semiconductor materials. The model is experimentally verified by demonstrating the growth of vertically aligned GaAs nanowires on graphite and few-layer graphene by the self-catalyzed vapor-liquid-solid technique using molecular beam epitaxy. A two-temperature growth strategy was used to increase the nanowire density. Due to the self-catalyzed growth technique used, the nanowires were found to have a regular hexagonal cross-sectional shape, and are uniform in length and diameter. Electron microscopy studies reveal an epitaxial relationship of the grown nanowires with the underlying graphitic substrates. Two relative orientations of the nanowire side-facets were observed, which is well explained by the proposed atomic model. A prototype of a single GaAs nanowire photodetector demonstrates a high-quality material. With GaAs being a model system, as well as a very useful material for various optoelectronic applications, we anticipate this particular GaAs nanowire/graphene hybrid to be promising for flexible and low-cost solar cells.

  11. Silicon nanowire-based molecular beacons for high-sensitivity and sequence-specific DNA multiplexed analysis.

    PubMed

    Su, Shao; Wei, Xinpan; Zhong, Yiling; Guo, Yuanyuan; Su, Yuanyuan; Huang, Qing; Lee, Shuit-Tong; Fan, Chunhai; He, Yao

    2012-03-27

    Nanomaterial-based molecular beacons (nanoMBs) have been extensively explored due to unique merits of nanostructures, including gold nanoparticle (AuNP)-, carbon nanotube (CNT)-, and graphene-based nanoMBs. Those nanoMBs are well-studied; however, they possess relatively poor salt stability or low specificity, limiting their wide applications. Here, we present a novel kind of multicolor silicon-based nanoMBs by using AuNP-decorated silicon nanowires as high-performance quenchers. Significantly, the nanoMBs feature robust stability in high-concentration (0.1 M) salt solution and wide-ranging temperature (10-80 °C), high quenching efficiency (>90%) for various fluorophores (e.g., FAM, Cy5, and ROX), and large surfaces for simultaneous assembly of different DNA strands. We further show that silicon-based nanoMBs are highly effective for sensitive and specific multidetection of DNA targets. The unprecedented advantages of silicon-based multicolor nanoMBs would bring new opportunities for challenging bioapplications, such as allele discrimination, early cancer diagnosis, and molecular engineering, etc.

  12. Single-Crystalline Gold Nanowires Synthesized from Light-Driven Oriented Attachment and Plasmon-Mediated Self-Assembly of Gold Nanorods or Nanoparticles.

    PubMed

    Yu, Shang-Yang; Gunawan, Hariyanto; Tsai, Shiao-Wen; Chen, Yun-Ju; Yen, Tzu-Chen; Liaw, Jiunn-Woei

    2017-03-16

    Through the light-driven geometrically oriented attachment (OA) and self-assembly of Au nanorods (NRs) or nanoparticles (NPs), single-crystalline Au nanowires (NWs) were synthesized by the irradiation of a linearly-polarized (LP) laser. The process was conducted in a droplet of Au colloid on a glass irradiated by LP near-infrared (e.g. 1064 nm and 785 nm) laser beam of low power at room temperature and atmospheric pressure, without any additive. The FE-SEM images show that the cross sections of NWs are various: tetragonal, pentagonal or hexagonal. The EDS spectrum verifies the composition is Au, and the pattern of X-ray diffraction identifies the crystallinity of NWs with the facets of {111}, {200}, {220} and {311}. We proposed a hypothesis for the mechanism that the primary building units are aligned and coalesced by the plasmon-mediated optical torque and force to form the secondary building units. Subsequently, the secondary building units undergo the next self-assembly, and so forth the tertiary ones. The LP light guides the translational and rotational motions of these building units to perform geometrically OA in the side-by-side, end-to-end and T-shaped manners. Consequently, micron-sized ordered mesocrystals are produced. Additionally, the concomitant plasmonic heating causes the annealing for recrystallizing the mesocrystals in water.

  13. Single-Crystalline Gold Nanowires Synthesized from Light-Driven Oriented Attachment and Plasmon-Mediated Self-Assembly of Gold Nanorods or Nanoparticles

    NASA Astrophysics Data System (ADS)

    Yu, Shang-Yang; Gunawan, Hariyanto; Tsai, Shiao-Wen; Chen, Yun-Ju; Yen, Tzu-Chen; Liaw, Jiunn-Woei

    2017-03-01

    Through the light-driven geometrically oriented attachment (OA) and self-assembly of Au nanorods (NRs) or nanoparticles (NPs), single-crystalline Au nanowires (NWs) were synthesized by the irradiation of a linearly-polarized (LP) laser. The process was conducted in a droplet of Au colloid on a glass irradiated by LP near-infrared (e.g. 1064 nm and 785 nm) laser beam of low power at room temperature and atmospheric pressure, without any additive. The FE-SEM images show that the cross sections of NWs are various: tetragonal, pentagonal or hexagonal. The EDS spectrum verifies the composition is Au, and the pattern of X-ray diffraction identifies the crystallinity of NWs with the facets of {111}, {200}, {220} and {311}. We proposed a hypothesis for the mechanism that the primary building units are aligned and coalesced by the plasmon-mediated optical torque and force to form the secondary building units. Subsequently, the secondary building units undergo the next self-assembly, and so forth the tertiary ones. The LP light guides the translational and rotational motions of these building units to perform geometrically OA in the side-by-side, end-to-end and T-shaped manners. Consequently, micron-sized ordered mesocrystals are produced. Additionally, the concomitant plasmonic heating causes the annealing for recrystallizing the mesocrystals in water.

  14. Single-Crystalline Gold Nanowires Synthesized from Light-Driven Oriented Attachment and Plasmon-Mediated Self-Assembly of Gold Nanorods or Nanoparticles

    PubMed Central

    Yu, Shang-Yang; Gunawan, Hariyanto; Tsai, Shiao-Wen; Chen, Yun-Ju; Yen, Tzu-Chen; Liaw, Jiunn-Woei

    2017-01-01

    Through the light-driven geometrically oriented attachment (OA) and self-assembly of Au nanorods (NRs) or nanoparticles (NPs), single-crystalline Au nanowires (NWs) were synthesized by the irradiation of a linearly-polarized (LP) laser. The process was conducted in a droplet of Au colloid on a glass irradiated by LP near-infrared (e.g. 1064 nm and 785 nm) laser beam of low power at room temperature and atmospheric pressure, without any additive. The FE-SEM images show that the cross sections of NWs are various: tetragonal, pentagonal or hexagonal. The EDS spectrum verifies the composition is Au, and the pattern of X-ray diffraction identifies the crystallinity of NWs with the facets of {111}, {200}, {220} and {311}. We proposed a hypothesis for the mechanism that the primary building units are aligned and coalesced by the plasmon-mediated optical torque and force to form the secondary building units. Subsequently, the secondary building units undergo the next self-assembly, and so forth the tertiary ones. The LP light guides the translational and rotational motions of these building units to perform geometrically OA in the side-by-side, end-to-end and T-shaped manners. Consequently, micron-sized ordered mesocrystals are produced. Additionally, the concomitant plasmonic heating causes the annealing for recrystallizing the mesocrystals in water. PMID:28300218

  15. Novel mechanical behaviors of wurtzite CdSe nanowires

    NASA Astrophysics Data System (ADS)

    Fu, Bing; Chen, Li; Xie, Yiqun; Feng, Jie; Ye, Xiang

    2015-09-01

    As an important semiconducting nanomaterial, CdSe nanowires have attracted much attention. Although many studies have been conducted in the electronic and optical properties of CdSe NWs, the mechanical properties of Wurtzite (WZ) CdSe nanowires remain unclear. Using molecular dynamics simulations, we have studied the tensile mechanical properties and behaviors of [0001]-oriented Wurtzite CdSe nanowires. By monitoring the stretching processes of CdSe nanowires, three distinct structures are found: the WZ wire, a body-centered tetragonal structure with four-atom rings (denoted as BCT-4), and a structure that consists of ten-atom rings with two four-atom rings (denoted as TAR-4) which is observed for the first time. Not only the elastic tensile characteristics are highly reversible under unloading, but a reverse transition between TAR-4 and BCT-4 is also observed. The stretching processes also have a strong dependence on temperature. A tubular structure similar to carbon nanotubes is observed at 150 K, a single-atom chain is formed at 300, 350 and 450 K, and a double-atom chain is found at 600 K. Our findings on tensile mechanical properties of WZ CdSe nanowires does not only provide inspiration to future study on other properties of CdSe nanomaterials but also help design and build efficient nanoscale devices.

  16. Bandgap tuning in GaAs1‑xSbx axial nanowires grown by Ga-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Ahmad, Estiak; Ojha, S. K.; Kasanaboina, P. K.; Reynolds, C. L., Jr.; Liu, Y.; Iyer, S.

    2017-03-01

    In this work we present a comprehensive study on the effects of Sb incorporation on the composition modulation, structural and optical properties of self-assisted axial GaAs1‑xSbx nanowires of 2–6 μm in length grown on (111) Si substrate by molecular beam epitaxy. The Sb composition in the GaAs1‑xSbx axial nanowire (NW) was varied from 2.8–16 at.%, as determined from energy dispersive x-ray spectroscopy. Lower Sb composition leads to thinner nanowires and inhomogeneous Sb composition distribution radially with a depleted Sb surface region inducing weak type-II optical emission, the presence of an additional peak at higher Bragg angle in the x-ray diffraction spectra and an electric-field-induced strong Raman LO mode. Higher Sb composition of 16 at.% leads to a more uniform Sb compositional distribution radially leading to type-I optical transitions exhibiting the lowest PL peak energy occurring at 1.13 eV. In addition, the high quality of these nanowires exhibiting pure zinc blende crystal structure, largely free of any planar defects, is borne out by high resolution transmission electron microscopy and selected area diffraction patterns. The shift and broadening of the Raman LO and TO modes reveal evidence of increased Sb incorporation in the nanowires. Significant improvement in optical characteristics was achieved by the incorporation of a Al0.2Ga0.8As passivating shell. The results are very promising and reveal the potential to further red shift the optical emission wavelength by fine tuning of the fluxes during growth.

  17. Observation of self-assisted GaAs nanowire growth by molecular beam epitaxy on GaAs (1 1 1)B without SiO2 layer

    NASA Astrophysics Data System (ADS)

    Vorathamrong, Samatcha; Panyakeow, Somsak; Ratanathammaphan, Somchai; Praserthdam, Piyasan; Tongyam, Chiraporn

    2017-09-01

    GaAs nanowire growth was performed on bare GaAs (1 1 1)B substrates by molecular beam epitaxy technique. A small adjustment was made to the conventional self-assisted VLS growth by removing covered SiO2 layer and growing nanowires directly on the substrate surface in order to eliminate some issues that occur in the conventional self-assisted VLS growth. To study the growth mechanism, growth time was varied as a growth parameter. Nanowire crystal structure was investigated by XRD analysis. Evolution of surface morphology along with RHEED patterns were utilized to determine characteristics of the growth.

  18. Growth of large-scale vertically aligned GaN nanowires and their heterostructures with high uniformity on SiO(x) by catalyst-free molecular beam epitaxy.

    PubMed

    Zhao, S; Kibria, M G; Wang, Q; Nguyen, H P T; Mi, Z

    2013-06-21

    The catalyst-free molecular beam epitaxial growth of GaN nanowires and their heterostructures on a SiOx template is studied in detail. It was found that by optimizing the growth temperature, highly uniform and vertically aligned GaN nanowires and InGaN/GaN heterostructures with excellent optical properties can be obtained on a SiOx template in a large-scale. This work provides an entirely new avenue for GaN nanowire based optoelectronic devices.

  19. Substrate temperature controls molecular orientation in two-component vapor-deposited glasses

    DOE PAGES

    Jiang, J.; Walters, D. M.; Zhou, D.; ...

    2016-02-22

    Vapor-deposited glasses can be anisotropic and molecular orientation is important for organic electronics applications. In organic light emitting diodes (OLEDs), for example, the orientation of dye molecules in two-component emitting layers significantly influences emission efficiency. Here we investigate how substrate temperature during vapor deposition influences the orientation of dye molecules in a model two-component system. We determine the average orientation of a linear blue light emitter 1,4-di-[4-(N,N-diphenyl)amino]styrylbenzene (DSA-Ph) in mixtures with aluminum-tris(8-hydroxyquinoline) (Alq3) by spectroscopic ellipsometry and IR dichroism. We find that molecular orientation is controlled by the ratio of the substrate temperature during deposition and the glass transition temperaturemore » of the mixture. Furthermore, these findings extend recent results for single component vapor-deposited glasses and suggest that, during vapor deposition, surface mobility allows partial equilibration towards orientations preferred at the free surface of the equilibrium liquid.« less

  20. Substrate temperature controls molecular orientation in two-component vapor-deposited glasses

    SciTech Connect

    Jiang, J.; Walters, D. M.; Zhou, D.; Ediger, M. D.

    2016-02-22

    Vapor-deposited glasses can be anisotropic and molecular orientation is important for organic electronics applications. In organic light emitting diodes (OLEDs), for example, the orientation of dye molecules in two-component emitting layers significantly influences emission efficiency. Here we investigate how substrate temperature during vapor deposition influences the orientation of dye molecules in a model two-component system. We determine the average orientation of a linear blue light emitter 1,4-di-[4-(N,N-diphenyl)amino]styrylbenzene (DSA-Ph) in mixtures with aluminum-tris(8-hydroxyquinoline) (Alq3) by spectroscopic ellipsometry and IR dichroism. We find that molecular orientation is controlled by the ratio of the substrate temperature during deposition and the glass transition temperature of the mixture. Furthermore, these findings extend recent results for single component vapor-deposited glasses and suggest that, during vapor deposition, surface mobility allows partial equilibration towards orientations preferred at the free surface of the equilibrium liquid.

  1. Enhancing Organic Semiconductor-Surface Plasmon Polariton Coupling with Molecular Orientation.

    PubMed

    Brown, Steven J; DeCrescent, Ryan A; Nakazono, David M; Willenson, Samuel H; Ran, Niva A; Liu, Xiaofeng; Bazan, Guillermo C; Nguyen, Thuc-Quyen; Schuller, Jon A

    2017-10-11

    Due to strong electric field enhancements, surface plasmon polaritons (SPPs) are capable of drastically increasing light-molecule coupling in organic optoelectronic devices. The electric field enhancement, however, is anisotropic, offering maximal functional benefits if molecules are oriented perpendicular to the interface. To provide a clear demonstration of this orientation dependence, we study SPP dispersion and SPP-mediated photoluminescence at a model Au/small-molecule interface where identical molecules can be deposited with two very different molecular backbone orientations depending on processing conditions. First, we demonstrate that thin films of p-SIDT(FBTTh2)2 can be deposited with either all "in-plane" (parallel to substrate) or a 50/50 mix of in-plane/"out-of-plane" (perpendicular to substrate) optical transition dipoles by the absence or presence, respectively, of diiodooctane during spin-coating. In contrast to typical orientation control observed in organic thin films, for this particular molecule, this corresponds to films with conjugated backbones purely in-plane, or with a 50/50 mix of in-plane/out-of-plane backbones. Then, using momentum-resolved reflectometry and momentum-resolved photoluminescence, we study and quantify changes in SPP dispersion and photoluminescence intensity arising solely from changes in molecular orientation. We demonstrate increased SPP momentum and a 2-fold enhancement in photoluminescence for systems with out-of-plane oriented transition dipoles. These results agree well with theory and have direct implications for the design and analysis of organic optoelectronic devices.

  2. Following the nanostructural molecular orientation guidelines for sulfur versus thiophene units in small molecule photovoltaic cells

    NASA Astrophysics Data System (ADS)

    Kim, Yu Jin; Park, Chan Eon

    2016-03-01

    In bulk heterojunction (BHJ) organic photovoltaics, particularly those using small molecules, electron donor and/or electron acceptor materials form a distributed network in the photoactive layer where critical photo-physical processes occur. Extensive research has recently focused on the importance of sulfur atoms in the small molecules. Little is known about the three-dimensional orientation of these sulfur atom-containing molecules. Herein, we report on our research concerning the heterojunction textures of the crystalline molecular orientation of small compounds having sulfur-containing units in the side chains, specifically, compounds known as DR3TSBDT that contain the alkylthio group and DR3TBDTT that does not. The improved performance of the DR3TBDTT-based devices, particularly in the photocurrent and the fill factor, was attributed to the large population of donor compound crystallites with a favorable face-on orientation along the perpendicular direction. This orientation resulted in efficient charge transport and a reduction in charge recombination. These findings underscore the great potential of small-molecule solar cells and suggest that even higher efficiencies can be achieved through materials development and molecular orientation control.In bulk heterojunction (BHJ) organic photovoltaics, particularly those using small molecules, electron donor and/or electron acceptor materials form a distributed network in the photoactive layer where critical photo-physical processes occur. Extensive research has recently focused on the importance of sulfur atoms in the small molecules. Little is known about the three-dimensional orientation of these sulfur atom-containing molecules. Herein, we report on our research concerning the heterojunction textures of the crystalline molecular orientation of small compounds having sulfur-containing units in the side chains, specifically, compounds known as DR3TSBDT that contain the alkylthio group and DR3TBDTT that does not

  3. Ordering Ag nanowire arrays by spontaneous spreading of volatile droplet on solid surface

    PubMed Central

    Dai, Han; Ding, Ruiqiang; Li, Meicheng; Huang, Jinjer; Li, Yingfeng; Trevor, Mwenya

    2014-01-01

    Large-area Ag nanowires are ordered by spontaneous spreading of volatile droplet on a wettable solid surface. Compared with other nanowires orientation methods, radial shaped oriented Ag nanowires in a large ring region are obtained in an extremely short time. Furthermore, the radial shaped oriented Ag nanowires are transferred and aligned into one direction. Based on the hydrodynamics, the coactions among the microfluid, gravity effect and the adhesion of substrate on the orientation of the Ag nanowires are clearly revealed. This spreading method opens an efficient way for extreme economic, efficient and “green” way for commercial producing ordered nanowire arrays. PMID:25339118

  4. Phylogeny of Oriental voles (Rodentia: Muridae: Arvicolinae): molecular and morphological evidence.

    PubMed

    Liu, Shaoying; Liu, Yang; Guo, Peng; Sun, Zhiyu; Murphy, Robert W; Fan, Zhenxin; Fu, Jianrong; Zhang, Yaping

    2012-09-01

    The systematics of Oriental voles remains controversial despite numerous previous studies. In this study, we explore the systematics of all species of Oriental voles, except Eothenomys wardi, using a combination of DNA sequences and morphological data. Our molecular phylogeny, based on two mitochondrial genes (COI and cyt b), resolves the Oriental voles as a monophyletic group with strong support. Four distinct lineages are resolved: Eothenomys, Anteliomys, Caryomys, and the new subgenus Ermites. Based on morphology, we consider Caryomys and Eothenomys to be valid genera. Eothenomys, Anteliomys, and Ermites are subgenera of Eothenomys. The molecular phylogeny resolves subgenera Anteliomys and Ermites as sister taxa. Subgenus Eothenomys is sister to the clade Anteliomys + Ermites. Caryomys is the sister group to genus Eothenomys. Further, the subspecies E. custos hintoni and E. chinensis tarquinius do not cluster with E. custos custos and E. chinensis chinensis, respectively, and the former two taxa are elevated to species level and assigned to the new subgenus Ermites.

  5. Molecular orientation in soft matter thin films studied by resonant soft X-ray reflectivity

    SciTech Connect

    Mezger, Markus; Jerome, Blandine; Kortright, Jeffrey B.; Valvidares, Manuel; Gullikson, Eric; Giglia, Angelo; Mahne, Nicola; Nannarone, Stefano

    2011-01-12

    We present a technique to study depth profiles of molecular orientation in soft matter thin films with nanometer resolution. The method is based on dichroism in resonant soft X-ray reflectivity using linear s- and p-polarization. It combines the chemical sensitivity of Near-Edge X-ray Absorption Fine Structure spectroscopy to specific molecular bonds and their orientation relative to the polarization of the incident beam with the precise depth profiling capability of X-ray reflectivity. We demonstrate these capabilities on side chain liquid crystalline polymer thin films with soft X-ray reflectivity data at the carbon K edge. Optical constants of the anisotropic refractive index ellipsoid were obtained from a quantitative analysis using the Berreman formalism. For films up to 50 nm thickness we find that the degree of orientation of the long axis exhibits no depth variation and isindependent of the film thickness.

  6. High degree of molecular orientation by a combination of THz and femtosecond laser pulses

    SciTech Connect

    Kitano, Kenta; Ishii, Nobuhisa; Itatani, Jiro

    2011-11-15

    We propose a method for achieving molecular orientation by two-step excitation with intense femtosecond laser and terahertz (THz) pulses. First, the femtosecond laser pulse induces off-resonant impulsive Raman excitation to create rotational wave packets. Next, a delayed intense THz pulse effectively induces resonant dipole transition between neighboring rotational states. By controlling the intensities of both the pulses and the time delay, we can create rotational wave packets consisting of states with different parities in order to achieve a high degree of molecular orientation under a field-free condition. We numerically demonstrate that the highest degree of orientation of >0.8 in HBr molecules is feasible under experimentally available conditions.

  7. Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors

    PubMed Central

    Walters, Diane M.; Lyubimov, Ivan; de Pablo, Juan J.; Ediger, M. D.

    2015-01-01

    Physical vapor deposition is commonly used to prepare organic glasses that serve as the active layers in light-emitting diodes, photovoltaics, and other devices. Recent work has shown that orienting the molecules in such organic semiconductors can significantly enhance device performance. We apply a high-throughput characterization scheme to investigate the effect of the substrate temperature (Tsubstrate) on glasses of three organic molecules used as semiconductors. The optical and material properties are evaluated with spectroscopic ellipsometry. We find that molecular orientation in these glasses is continuously tunable and controlled by Tsubstrate/Tg, where Tg is the glass transition temperature. All three molecules can produce highly anisotropic glasses; the dependence of molecular orientation upon substrate temperature is remarkably similar and nearly independent of molecular length. All three compounds form “stable glasses” with high density and thermal stability, and have properties similar to stable glasses prepared from model glass formers. Simulations reproduce the experimental trends and explain molecular orientation in the deposited glasses in terms of the surface properties of the equilibrium liquid. By showing that organic semiconductors form stable glasses, these results provide an avenue for systematic performance optimization of active layers in organic electronics. PMID:25831545

  8. Tunable molecular orientation and elevated thermal stability of vapor-deposited organic semiconductors

    DOE PAGES

    Dalal, Shakeel S.; Walters, Diane M.; Lyubimov, Ivan; ...

    2015-03-23

    Physical vapor deposition is commonly used to prepare organic glasses that serve as the active layers in light-emitting diodes, photovoltaics, and other devices. Recent work has shown that orienting the molecules in such organic semiconductors can significantly enhance device performance. In this paper, we apply a high-throughput characterization scheme to investigate the effect of the substrate temperature (Tsubstrate) on glasses of three organic molecules used as semiconductors. The optical and material properties are evaluated with spectroscopic ellipsometry. We find that molecular orientation in these glasses is continuously tunable and controlled by Tsubstrate/Tg, where Tg is the glass transition temperature. Allmore » three molecules can produce highly anisotropic glasses; the dependence of molecular orientation upon substrate temperature is remarkably similar and nearly independent of molecular length. All three compounds form “stable glasses” with high density and thermal stability, and have properties similar to stable glasses prepared from model glass formers. Simulations reproduce the experimental trends and explain molecular orientation in the deposited glasses in terms of the surface properties of the equilibrium liquid. Finally, by showing that organic semiconductors form stable glasses, these results provide an avenue for systematic performance optimization of active layers in organic electronics.« less

  9. Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers

    NASA Astrophysics Data System (ADS)

    Watson, Max C.; Penev, Evgeni S.; Welch, Paul M.; Brown, Frank L. H.

    2011-12-01

    We present a unified continuum-level model for bilayer energetics that includes the effects of bending, compression, lipid orientation (tilting relative to the monolayer surface normal), and microscopic noise (protrusions). Expressions for thermal fluctuation amplitudes of several physical quantities are derived. These predictions are shown to be in good agreement with molecular simulations.

  10. J-selective Stark orientation of molecular rotation in a beam

    NASA Astrophysics Data System (ADS)

    Auzinsh, Marcis P.; Ferber, Ruvin S.

    1992-12-01

    We propose a facile method to transform alignment of molecular rotation in a beam into transverse orientation with high efficiency via the second-order Stark effect in a homogeneous electric field scrE. The calculated J-orientation magnitude for a specific rotational level J exhibits a regular structure of equidistant dispersion-form signals in scrE2 coordinates. Estimates performed for the NaK molecule show the possibility to produce rotational and isotopic selective J orientation for a fixed beam velocity v. The orientation appears in the direction perpendicular to the (v,scrE) plane, and the optimal angle between v and scrE is 45°.

  11. Do Twin Boundaries Always Strengthen Metal Nanowires?

    PubMed

    Zhang, Yongfeng; Huang, Hanchen

    2009-01-01

    It has been widely reported that twin boundaries strengthen nanowires regardless of their morphology-that is, the strength of nanowires goes up as twin spacing goes down. This article shows that twin boundaries do not always strengthen nanowires. Using classical molecular dynamics simulations, the authors show that whether twin boundaries strengthen nanowires depends on the necessary stress for dislocation nucleation, which in turn depends on surface morphologies. When nanowires are circular cylindrical, the necessary stress of dislocation nucleation is high and the presence of twin boundaries lowers this stress; twin boundaries soften nanowires. In contrast, when nanowires are square cylindrical, the necessary stress of dislocation nucleation is low, and a higher stress is required for dislocations to penetrate twin boundaries; they strengthen nanowires.

  12. Fullerene nanowires: self-assembled structures of a low-molecular-weight organogelator fabricated by the Langmuir-Blodgett method.

    PubMed

    Tsunashima, Ryo; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi; Kawakami, Hiroko; Toma, Kazunori

    2008-01-01

    Fullerene derivative C60TT, which is substituted with the low-molecular-weight organogelator tris(dodecyloxy)benzamide, formed nanowire structures on application of the Langmuir-Blodgett (LB) method. The surface morphology of the C60TT LB film was dependent on the holding time before deposition at a surface pressure of 5 mN m(-1); it changed from a homogeneous monolayer to a bilayer fibrous structure via a fibrous monolayer structure, which was estimated to have dimensions of 1.2 nm in height, 8 nm in width, and 5-10 microm in length. From the structural and spectroscopic data, it is inferred that close packing of the fullerene moiety occurs along with intermolecular hydrogen bonding within the monolayer fibrous structure. The morphological changes in the LB film are explained kinetically by the Avrami theory, based on the decrease in the surface area of the monolayer at the air/water interface. The growth of the quasi-one-dimensional fibrous monolayer structures at holding times from 0 to 0.2 h is considered to be an interface-controlled process, whereas the growth of the quasi-one-dimensional bilayer fibrous structures from 0.2 to 18 h is thought to be a diffusion-controlled process.

  13. Structural, electrical, and optical characterization of coalescent p-n GaN nanowires grown by molecular beam epitaxy

    SciTech Connect

    Kolkovsky, Vl.; Zytkiewicz, Z. R.; Sobanska, M.; Klosek, K.; Korona, K. P.

    2015-12-14

    The electrical, structural, and optical properties of coalescent p-n GaN nanowires (NWs) grown by molecular beam epitaxy on Si (111) substrate are investigated. From photoluminescence measurements the full width at half maximum of bound exciton peaks AX and DA is found as 1.3 and 1.2 meV, respectively. These values are lower than those reported previously in the literature. The current-voltage characteristics show the rectification ratio of about 10{sup 2} and the leakage current of about 10{sup −4} A/cm{sup 2} at room temperature. We demonstrate that the thermionic mechanism is not dominant in these samples and spatial inhomogeneties and tunneling processes through a ∼2 nm thick SiN{sub x} layer between GaN and Si could be responsible for deviation from the ideal diode behavior. The free carrier concentration in GaN NWs determined by capacitance-voltage measurements is about 4 × 10{sup 15 }cm{sup −3}. Two deep levels (H190 and E250) are found in the structures. We attribute H190 to an extended defect located at the interface between the substrate and the SiN{sub x} interlayer or near the sidewalls at the bottom of the NWs, whereas E250 is tentatively assigned to a gallium-vacancy- or nitrogen interstitials-related defect.

  14. Structural, electrical, and optical characterization of coalescent p-n GaN nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kolkovsky, Vl.; Zytkiewicz, Z. R.; Korona, K. P.; Sobanska, M.; Klosek, K.

    2015-12-01

    The electrical, structural, and optical properties of coalescent p-n GaN nanowires (NWs) grown by molecular beam epitaxy on Si (111) substrate are investigated. From photoluminescence measurements the full width at half maximum of bound exciton peaks AX and DA is found as 1.3 and 1.2 meV, respectively. These values are lower than those reported previously in the literature. The current-voltage characteristics show the rectification ratio of about 102 and the leakage current of about 10-4 A/cm2 at room temperature. We demonstrate that the thermionic mechanism is not dominant in these samples and spatial inhomogeneties and tunneling processes through a ˜2 nm thick SiNx layer between GaN and Si could be responsible for deviation from the ideal diode behavior. The free carrier concentration in GaN NWs determined by capacitance-voltage measurements is about 4 × 1015 cm-3. Two deep levels (H190 and E250) are found in the structures. We attribute H190 to an extended defect located at the interface between the substrate and the SiNx interlayer or near the sidewalls at the bottom of the NWs, whereas E250 is tentatively assigned to a gallium-vacancy- or nitrogen interstitials-related defect.

  15. Effect of Interfacial Molecular Orientation on Power Conversion Efficiency of Perovskite Solar Cells.

    PubMed

    Xiao, Minyu; Joglekar, Suneel; Zhang, Xiaoxian; Jasensky, Joshua; Ma, Jialiu; Cui, Qingyu; Guo, L Jay; Chen, Zhan

    2017-03-08

    A wide variety of charge carrier dynamics, such as transport, separation, and extraction, occur at the interfaces of planar heterojunction solar cells. Such factors can affect the overall device performance. Therefore, understanding the buried interfacial molecular structure in various devices and the correlation between interfacial structure and function has become increasingly important. Current characterization techniques for thin films such as X-ray diffraction, cross section scanning electronmicroscopy, and UV-visible absorption spectroscopy are unable to provide the needed molecular structural information at buried interfaces. In this study, by controlling the structure of the hole transport layer (HTL) in a perovskite solar cell and applying a surface/interface-sensitive nonlinear vibrational spectroscopic technique (sum frequency generation vibrational spectroscopy (SFG)), we successfully probed the molecular structure at the buried interface and correlated its structural characteristics to solar cell performance. Here, an edge-on (normal to the interface) polythiophene (PT) interfacial molecular orientation at the buried perovskite (photoactive layer)/PT (HTL) interface showed more than two times the power conversion efficiency (PCE) of a lying down (tangential) PT interfacial orientation. The difference in interfacial molecular structure was achieved by altering the alkyl side chain length of the PT derivatives, where PT with a shorter alkyl side chain showed an edge-on interfacial orientation with a higher PCE than that of PT with a longer alkyl side chain. With similar band gap alignment and bulk structure within the PT layer, it is believed that the interfacial molecular structural variation (i.e., the orientation difference) of the various PT derivatives is the underlying cause of the difference in perovskite solar cell PCE.

  16. Nanowire Electron Scattering Spectroscopy

    NASA Technical Reports Server (NTRS)

    Hunt, Brian; Bronikowsky, Michael; Wong, Eric; VonAllmen, Paul; Oyafuso, Fablano

    2009-01-01

    Nanowire electron scattering spectroscopy (NESS) has been proposed as the basis of a class of ultra-small, ultralow-power sensors that could be used to detect and identify chemical compounds present in extremely small quantities. State-of-the-art nanowire chemical sensors have already been demonstrated to be capable of detecting a variety of compounds in femtomolar quantities. However, to date, chemically specific sensing of molecules using these sensors has required the use of chemically functionalized nanowires with receptors tailored to individual molecules of interest. While potentially effective, this functionalization requires labor-intensive treatment of many nanowires to sense a broad spectrum of molecules. In contrast, NESS would eliminate the need for chemical functionalization of nanowires and would enable the use of the same sensor to detect and identify multiple compounds. NESS is analogous to Raman spectroscopy, the main difference being that in NESS, one would utilize inelastic scattering of electrons instead of photons to determine molecular vibrational energy levels. More specifically, in NESS, one would exploit inelastic scattering of electrons by low-lying vibrational quantum states of molecules attached to a nanowire or nanotube.

  17. Following the nanostructural molecular orientation guidelines for sulfur versus thiophene units in small molecule photovoltaic cells.

    PubMed

    Kim, Yu Jin; Park, Chan Eon

    2016-04-14

    In bulk heterojunction (BHJ) organic photovoltaics, particularly those using small molecules, electron donor and/or electron acceptor materials form a distributed network in the photoactive layer where critical photo-physical processes occur. Extensive research has recently focused on the importance of sulfur atoms in the small molecules. Little is known about the three-dimensional orientation of these sulfur atom-containing molecules. Herein, we report on our research concerning the heterojunction textures of the crystalline molecular orientation of small compounds having sulfur-containing units in the side chains, specifically, compounds known as DR3TSBDT that contain the alkylthio group and DR3TBDTT that does not. The improved performance of the DR3TBDTT-based devices, particularly in the photocurrent and the fill factor, was attributed to the large population of donor compound crystallites with a favorable face-on orientation along the perpendicular direction. This orientation resulted in efficient charge transport and a reduction in charge recombination. These findings underscore the great potential of small-molecule solar cells and suggest that even higher efficiencies can be achieved through materials development and molecular orientation control.

  18. Sulfur Nanowires

    NASA Astrophysics Data System (ADS)

    Carvajal, Eliel; Santiago, Patricia; Escudero, Roberto; Mendoza, Doroteo

    2000-03-01

    We have synthetized sulfur nanowires by a template approach using nanoporous anodic alumina. High resolution electron microscopy shows that isolated sulfur nanowires (15 nanometers of diameter) present crystalline structure different to that observed in the stable bulk allotrope (orthorhombic alfa-sulfur). Melting behavior of the sulfur nanowires embedded into the nanoporous alumina matrix was studied by differential scanning calorimetry, showing again very different behavior of the nanowires compared to that of the bulk sulfur. On the other hand, in order to study the bonding configuration of the sulfur atoms in the nanowires, we will present infrared spectroscopy characterization of the nanowires confined into the nanoporous alumina. Finally, on the base of the experimental observations, we will present a structural model for the sulfur nanowires.

  19. 3-D matrix template-assisted growth of oriented oxide nanowire arrays using glancing angle pulsed laser deposition

    NASA Astrophysics Data System (ADS)

    Wright, N.; Mateo-Feliciano, D.; Ostoski, A.; Mukherjee, P.; Witanachchi, S.

    Nanosphere lithography is a combination of different methods to nanofabrication. In this work nanosphere lithography is used to study the growth of Zinc Oxide Nano-columns (ZnO NCs) on different diameter Silica Nanosphere (SNS) self-assembled templates. ZnO NCs are promising building blocks for many existing and emerging optical, electrical, and piezoelectric devices, specifically, the seeded growth of other oxide materials. Recently, reports have shown a ferroelectric phase of zinc stannate (ZnSnO3) and while lead zirconium titanate oxide (PZT) has been the main material of interest in ferroelectric and piezoelectric applications, the toxicity of lead has been of great concern. The possibility of developing lead free piezoelectric materials is of great interest in the ferroelectric community. Langmuir-Blodgett method was used to construct a self-assembled monolayer of SNSs on silicon substrates. Oriented ZnO NCs were grown on top of the spheres using the glancing angle pulsed laser deposition technique. Columns were formed in a spatially ordered closed-packed hexagonal configuration. Growth of ZnO NCs was studied as function of ambient Oxygen pressure with SNS size ranging from 250-1000 nm. Cross-sectional Scanning Electron Microscopy and X-ray diffraction (XRD) were used to study the template structure. Relative aspect ratios were studied and showed tunability of column dimensions with sphere size. XRD revealed ZnO NC arrays were c-axis oriented with hexagonal wurtzite structure.

  20. OOPSE: an object-oriented parallel simulation engine for molecular dynamics.

    PubMed

    Meineke, Matthew A; Vardeman, Charles F; Lin, Teng; Fennell, Christopher J; Gezelter, J Daniel

    2005-02-01

    OOPSE is a new molecular dynamics simulation program that is capable of efficiently integrating equations of motion for atom types with orientational degrees of freedom (e.g. "sticky" atoms and point dipoles). Transition metals can also be simulated using the embedded atom method (EAM) potential included in the code. Parallel simulations are carried out using the force-based decomposition method. Simulations are specified using a very simple C-based meta-data language. A number of advanced integrators are included, and the basic integrator for orientational dynamics provides substantial improvements over older quaternion-based schemes. (c) 2004 Wiley Periodicals, Inc.

  1. Molecular Orientation and Photocurrent of Alkyl-Aromatic Polyimide Films Prepared by Vapor Deposition Polymerization

    NASA Astrophysics Data System (ADS)

    Iida, Kazuo; Nohara, Tsukasa; Totani, Kazuyuki; Nakamura, Shuhei; Sawa, Goro

    1989-12-01

    Vapor deposition polymerization by a coevaporation of pyromellitic dianhydride and decamethylenediamine monomers has been employed for the preparation of polyamic acid as a precursor for polyimide films. By curing at temperatures of 200-250°C the polyamic acid became the polyimide with directional arrangement of the molecular chain in the normal to the substrate observed by wide-angle X-ray diffraction. The sample containing a large amount of oriented crystals showed a small photocurrent. It was concluded that the oriented chain containing a decamethylene moiety hinders the carrier transfer between pyromellitimide moieties, resulting in a decrease of current.

  2. Single crystalline mesoporous silicon nanowires

    SciTech Connect

    Hochbaum, A.I.; Gargas, Daniel; Jeong Hwang, Yun; Yang, Peidong

    2009-08-04

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. These porous nanowires also retain the crystallographic orientation of the wafer from which they are etched. Electron microscopy and diffraction confirm their single-crystallinity and reveal the silicon surrounding the pores is as thin as several nanometers. Confocal fluorescence microscopy showed that the photoluminescence (PL) of these arrays emanate from the nanowires themselves, and their PL spectrum suggests that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices.

  3. Single crystalline mesoporous silicon nanowires.

    PubMed

    Hochbaum, Allon I; Gargas, Daniel; Hwang, Yun Jeong; Yang, Peidong

    2009-10-01

    Herein we demonstrate a novel electroless etching synthesis of monolithic, single-crystalline, mesoporous silicon nanowire arrays with a high surface area and luminescent properties consistent with conventional porous silicon materials. These porous nanowires also retain the crystallographic orientation of the wafer from which they are etched. Electron microscopy and diffraction confirm their single-crystallinity and reveal the silicon surrounding the pores is as thin as several nanometers. Confocal fluorescence microscopy showed that the photoluminescence (PL) of these arrays emanate from the nanowires themselves, and their PL spectrum suggests that these arrays may be useful as photocatalytic substrates or active components of nanoscale optoelectronic devices.

  4. Precise Characterisation of Molecular Orientation in a Single Crystal Field-Effect Transistor Using Polarised Raman Spectroscopy

    PubMed Central

    Wood, Sebastian; Rigas, Grigorios-Panagiotis; Zoladek-Lemanczyk, Alina; Blakesley, James C.; Georgakopoulos, Stamatis; Mas-Torrent, Marta; Shkunov, Maxim; Castro, Fernando A.

    2016-01-01

    Charge transport in organic semiconductors is strongly dependent on the molecular orientation and packing, such that manipulation of this molecular packing is a proven technique for enhancing the charge mobility in organic transistors. However, quantitative measurements of molecular orientation in micrometre-scale structures are experimentally challenging. Several research groups have suggested polarised Raman spectroscopy as a suitable technique for these measurements and have been able to partially characterise molecular orientations using one or two orientation parameters. Here we demonstrate a new approach that allows quantitative measurements of molecular orientations in terms of three parameters, offering the complete characterisation of a three-dimensional orientation. We apply this new method to organic semiconductor molecules in a single crystal field-effect transistor in order to correlate the measured orientation with charge carrier mobility measurements. This approach offers the opportunity for micrometre resolution (diffraction limited) spatial mapping of molecular orientation using bench-top apparatus, enabling a rational approach towards controlling this orientation to achieve optimum device performance. PMID:27619423

  5. Molecular-orientation-induced rapid roughening and morphology transition in organic semiconductor thin-film growth.

    PubMed

    Yang, Junliang; Yim, Sanggyu; Jones, Tim S

    2015-03-24

    We study the roughening process and morphology transition of organic semiconductor thin film induced by molecular orientation in the model of molecular semiconductor copper hexadecafluorophthalocyanine (F16CuPc) using both experiment and simulation. The growth behaviour of F16CuPc thin film with the thickness, D, on SiO2 substrate takes on two processes divided by a critical thickness: (1) D ≤ 40 nm, F16CuPc thin films are composed of uniform caterpillar-like crystals. The kinetic roughening is confirmed during this growth, which is successfully analyzed by Kardar-Parisi-Zhang (KPZ) model with scaling exponents α = 0.71 ± 0.12, β = 0.36 ± 0.03, and 1/z = 0.39 ± 0.12; (2) D > 40 nm, nanobelt crystals are formed gradually on the caterpillar-like crystal surface and the film growth shows anomalous growth behaviour. These new growth behaviours with two processes result from the gradual change of molecular orientation and the formation of grain boundaries, which conversely induce new molecular orientation, rapid roughening process, and the formation of nanobelt crystals.

  6. Molecular-Orientation-Induced Rapid Roughening and Morphology Transition in Organic Semiconductor Thin-Film Growth

    PubMed Central

    Yang, Junliang; Yim, Sanggyu; Jones, Tim S.

    2015-01-01

    We study the roughening process and morphology transition of organic semiconductor thin film induced by molecular orientation in the model of molecular semiconductor copper hexadecafluorophthalocyanine (F16CuPc) using both experiment and simulation. The growth behaviour of F16CuPc thin film with the thickness, D, on SiO2 substrate takes on two processes divided by a critical thickness: (1) D ≤ 40 nm, F16CuPc thin films are composed of uniform caterpillar-like crystals. The kinetic roughening is confirmed during this growth, which is successfully analyzed by Kardar-Parisi-Zhang (KPZ) model with scaling exponents α = 0.71 ± 0.12, β = 0.36 ± 0.03, and 1/z = 0.39 ± 0.12; (2) D > 40 nm, nanobelt crystals are formed gradually on the caterpillar-like crystal surface and the film growth shows anomalous growth behaviour. These new growth behaviours with two processes result from the gradual change of molecular orientation and the formation of grain boundaries, which conversely induce new molecular orientation, rapid roughening process, and the formation of nanobelt crystals. PMID:25801646

  7. Direct laser fabrication of nanowires on semiconductor surfaces

    NASA Astrophysics Data System (ADS)

    Haghizadeh, Anahita; Yang, Haeyeon

    2016-03-01

    Periodic nanowires are observed from (001) orientation of Si and GaAs when the surfaces are irradiated interferentially by high power laser pulses. These nanowires are self-assembled and can be strain-free while their period is consistent with interference period. The nanowire morphologies are studied by atomic force microscopy. The observed period between nanowires depends on the wavelengths used and interference angle. The nanowire width increases with laser intensity. The narrowest nanowires observed have the width smaller than 20 nm, which is more than 10 times smaller than the interference period.

  8. Tensile and compressive mechanical behavior of twinned silicon carbide nanowires

    SciTech Connect

    Wang, Zhiguo; Li, Jingbo; Gao, Fei; Weber, William J.

    2010-04-01

    Molecular dynamics simulations with the Tersoff potential were used to study the response of twinned SiC nanowires under tensile and compressive strains. The critical strain of the twinned nanowires can be enhanced by twin-stacking faults, and their critical strains are larger than those of perfect nanowires with the same diameters. Under axial tensile strain, the bonds of the nanowires are just stretched before failure. The failure behavior is found to depend on the twin segment thickness and the diameter of the nanowires. An atomic chain is observed for the thin nanowires with small twin segment thickness under tension strain. Under axial compressive strain, the collapse of the twinned SiC nanowires exhibits two differently failure modes, depending on the length and diameter of the nanowires, i.e. shell buckling for short length nanowires and columnar buckling for longer length nanowires.

  9. Nanoscale manipulation of Ge nanowires by ion hammering

    SciTech Connect

    Picraux, Samuel T; Romano, Lucia; Rudawski, Nicholas G; Holzworth, Monta R; Jones, Kevin S; Choi, S G

    2009-01-01

    Nanowires generated considerable interest as nanoscale interconnects and as active components of both electronic and electromechanical devices. However, in many cases, manipulation and modification of nanowires are required to realize their full potential. It is essential, for instance, to control the orientation and positioning of nanowires in some specific applications. This work demonstrates a simple method to reversibly control the shape and the orientation of Ge nanowires by using ion beams. Initially, crystalline nanowires were partially amorphized by 30 keY Ga+-implantation. After amorphization, viscous flow and plastic deformation occurred due to the ion hammering effect, causing the nanowires to bend toward the beam direction. The bending was reversed multiple times by ion-implanting the opposite side of the nanowires, resulting in straightening of the nanowires and subsequent bending in the opposite direction. This ion hammering effect demonstrates the detailed manipulation of nanoscale structures is possible through the use of ion irradiation.

  10. Critical CuI buffer layer surface density for organic molecular crystal orientation change

    SciTech Connect

    Ahn, Kwangseok; Kim, Jong Beom; Lee, Dong Ryeol; Kim, Hyo Jung; Lee, Hyun Hwi

    2015-01-21

    We have determined the critical surface density of the CuI buffer layer inserted to change the preferred orientation of copper phthalocyanine (CuPc) crystals grown on the buffer layer. X-ray reflectivity measurements were performed to obtain the density profiles of the buffer layers and out-of-plane and 2D grazing-incidence X-ray diffraction measurements were performed to determine the preferred orientations of the molecular crystals. Remarkably, it was found that the preferred orientation of the CuPc film is completely changed from edge-on (1 0 0) to face-on (1 1 −2) by a CuI buffer layer with a very low surface density, so low that a large proportion of the substrate surface is bare.

  11. Exploration of molecular orientation in polymers using novel vibrational spectroscopy methods

    NASA Astrophysics Data System (ADS)

    Frisk, Simon

    The knowledge of the structure-processing-property relationships is critical to any application in materials science. This project proposes a multidimensional approach to study the structure of polymer fibers as a function of different processing parameters. The tremendous potential of polarized Raman spectroscopy for the study of oriented polymers was demonstrated using quantitative and spectral analyses. A comparison of three methods to determine the first two coefficients of the orientation distribution function is presented. Based on these results, a graphical representation of the distribution of molecular orientations and its evolution in a series of poly(propylene terephthalate) fibers melt-spun under different processing conditions was attempted. A new method to determine an orientation independent Raman scattered intensity based on various polarized Raman measurements was developed and is introduced. The equivalent term in infrared spectroscopy is the structural absorbance. As with the structural absorbance, the calculated Raman intensity allows one to observe spectral changes that are due uniquely to morphological changes in a set of different samples in the presence of orientation differences. The correlation of the quantitative and spectral analyses yielded valuable information regarding the evolution of the molecular orientation and the structure as a function of spinning speed in the series of melt-spun PPT fibers. A monotonic increase in molecular orientation was observed through the entire spin speed range. Initially, this increase was accompanied by a large increase in density. Due to the absence of a significant increase in crystallinity, it was concluded that an oriented non-crystalline phase was formed. The onset of significant crystallinity was observed for the higher spin speeds. A second objective of this work was to gain a better understanding of the deformation mechanisms in the fibers when subjected to both permanent and reversible

  12. Self-catalyzed core-shell GaAs/GaNAs nanowires grown on patterned Si (111) by gas-source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    La, Rui; Liu, Ren; Yao, Weichuan; Chen, Renjie; Jansson, Mattias; Pan, Janet L.; Buyanova, Irina A.; Xiang, Jie; Dayeh, Shadi A.; Tu, Charles W.

    2017-08-01

    We report structural studies on the epitaxial growth of GaAs/GaNAs core-shell nanowires (NWs) on patterned Si (111) substrates by self-catalyzed selective area growth using Gas-Source Molecular Beam Epitaxy. Epitaxial growth conditions were obtained using a combination of dry and time-sensitive wet etching of the SiO2 growth mask and native SiO2 layer, respectively. We found that higher growth temperatures resulted in a higher yield for the epitaxial growth of patterned self-catalyzed GaAs NWs on Si with an optimal temperature of 690 °C. The GaNAs shell growth at 500 °C was found to be conformal and maintained an epitaxial and dislocation-free interface with both the Si substrate and the GaAs nanowire. The micro-photoluminescence (μ-PL) measurement at 6 K revealed two bands peaking at 1.45 and 1.17 eV, which could be emission from the GaAs core and GaNAs shell. Transmission electron microscopy showed the zincblende crystal structure of GaAs and GaAs/GaNAs core-shell NWs with minimal twinning near the base of the GaAs nanowires and at the tips of the GaAs/GaNAs core/shell nanowires. This study illustrates the feasibility of the epitaxial growth of patterned GaAs with dilute nitride shells on Si substrates, which would have potential for Si-friendly intermediate band solar cells and telecom emitters.

  13. Control of colloidal placement by modulated molecular orientation in nematic cells

    PubMed Central

    Peng, Chenhui; Turiv, Taras; Guo, Yubing; Shiyanovskii, Sergij V.; Wei, Qi-Huo; Lavrentovich, Oleg D.

    2016-01-01

    Colloids self-assemble into various organized superstructures determined by particle interactions. There is tremendous progress in both the scientific understanding and the applications of self-assemblies of single-type identical particles. Forming superstructures in which the colloidal particles occupy predesigned sites and remain in these sites despite thermal fluctuations represents a major challenge of the current state of the art. We propose a versatile approach to directing placement of colloids using nematic liquid crystals with spatially varying molecular orientation preimposed by substrate photoalignment. Colloidal particles in a nematic environment are subject to the long-range elastic forces originating in the orientational order of the nematic. Gradients of the orientational order create an elastic energy landscape that drives the colloids into locations with preferred type of deformations. As an example, we demonstrate that colloidal spheres with perpendicular surface anchoring are driven into the regions of maximum splay, whereas spheres with tangential surface anchoring settle into the regions of bend. Elastic forces responsible for preferential placement are measured by exploring overdamped dynamics of the colloids. Control of colloidal self-assembly through patterned molecular orientation opens new opportunities for designing materials and devices in which particles should be placed in predesigned locations. PMID:27652343

  14. Orientation and conformation of a lipase at an interface studied by molecular dynamics simulations.

    PubMed Central

    Jensen, Morten Ø; Jensen, Torben R; Kjaer, Kristian; Bjørnholm, Thomas; Mouritsen, Ole G; Peters, Günther H

    2002-01-01

    Electron density profiles calculated from molecular dynamics trajectories are used to deduce the orientation and conformation of Thermomyces lanuginosa lipase and a mutant adsorbed at an air-water interface. It is demonstrated that the profiles display distinct fine structures, which uniquely characterize enzyme orientation and conformation. The density profiles are, on the nanosecond timescale, determined by the average enzyme conformation. We outline a computational scheme that from a single molecular dynamics trajectory allows for extraction of electron density profiles referring to different orientations of the lipase relative to an implicit interface. Profiles calculated for the inactive and active conformations of the lipase are compared with experimental electron density profiles measured by x-ray reflectivity for the lipase adsorbed at an air-water interface. The experimental profiles contain less fine structural information than the calculated profiles because the resolution of the experiment is limited by the intrinsic surface roughness of water. Least squares fits of the calculated profiles to the experimental profiles provide areas per adsorbed enzyme and suggest that Thermomyces lanuginosa lipase adsorbs to the air-water interface in a semiopen conformation with the lid oriented away from the interface. PMID:12080103

  15. Photodissociation of laboratory oriented molecules: Revealing molecular frame properties of nonaxial recoil

    SciTech Connect

    Brom, Alrik J. van den; Rakitzis, T. Peter; Janssen, Maurice H.M.

    2004-12-15

    We report the photodissociation of laboratory oriented OCS molecules. A molecular beam of OCS molecules is hexapole state-selected and spatially oriented in the electric field of a velocity map imaging lens. The oriented OCS molecules are dissociated at 230 nm with the linear polarization set at 45 deg. to the orientation direction of the OCS molecules. The CO({nu}=0,J) photofragments are quantum state-selectively ionized by the same 230 nm pulse and the angular distribution is measured using the velocity map imaging technique. The observed CO({nu}=0,J) images are strongly asymmetric and the degree of asymmetry varies with the CO rotational state J. From the observed asymmetry in the laboratory frame we can directly extract the molecular frame angles between the final photofragment recoil velocity and the permanent dipole moment and the transition dipole moment. The data for CO fragments with high rotational excitation reveal that the dissociation dynamics is highly nonaxial, even though conventional wisdom suggests that the nearly limiting {beta} parameter results from fast axial recoil dynamics. From our data we can extract the relative contribution of parallel and perpendicular transitions at 230 nm excitation.

  16. Embedded Nanowire Network Growth and Node Device Fabrication for GaAs-Based High-Density Hexagonal Binary Decision Diagram Quantum Circuits

    NASA Astrophysics Data System (ADS)

    Tamura, Takahiro; Tamai, Isao; Kasai, Seiya; Sato, Taketomo; Hasegawa, Hideki; Hashizume, Tamotsu

    2006-04-01

    The basic feasibility of constructing hexagonal binary decision diagram (BDD) quantum circuits on GaAs-based selectively grown (SG) nanowires was investigated from viewpoints of electrical connections through embedded nanowires and electrical uniformity of devices formed on nanowires. For this, <\\bar{1}10>- and < 510>-oriented nanowires and hexagonal network structures combining these nanowires were formed on (001) GaAs substrates by selective molecular beam epitaxy (MBE) growth. The width and vertical position of the nanowires could be controlled by growth conditions for both <\\bar{1}10>- and < 510>-directions. By current-voltage (I-V) measurements, good electrical connection was confirmed at the node point where vertical alignment of embedded GaAs nanowire pieces was found to be important. SG quantum wire (QWR) switches formed on the nanowires showed good gate control over a wide temperature range with clear conductance quantization at low temperatures. Good device uniformities were obtained on the test chips, providing a good prospect for future integration. BDD node devices using SG QWR switches showed clear path switching characteristics. Estimated power-delay product values were very small, confirming the feasibility of ultra low-power operation of future circuits.

  17. Synthesis and characterization of single crystalline selenium nanowire arrays

    SciTech Connect

    Zhang, X.Y. . E-mail: apzhxy@polyu.edu.hk; Xu, L.H.; Dai, J.Y.; Cai, Y.; Wang, N.

    2006-09-14

    Ordered selenium nanowire arrays with diameters about 40 nm have been fabricated by electrodeposition using anodic porous alumina templates. As determined by X-ray diffraction, Raman spectra, electron diffraction and high-resolution transmission electron microscopy, selenium nanowires have uniform diameters, which are fully controllable. Single crystalline trigonal selenium nanowires have been obtained after postannealing at 180 deg. C. These nanowires are perfect with a c-axis growth orientation. The optical absorption spectra reveal two types of electron transition activity.

  18. Mapping molecular orientational distributions for biological sample in 3D (Conference Presentation)

    NASA Astrophysics Data System (ADS)

    HE, Wei; Ferrand, Patrick; Richter, Benjamin; Bastmeyer, Martin; Brasselet, Sophie

    2016-04-01

    Measuring molecular orientation properties is very appealing for scientists in molecular and cell biology, as well as biomedical research. Orientational organization at the molecular scale is indeed an important brick to cells and tissues morphology, mechanics, functions and pathologies. Recent work has shown that polarized fluorescence imaging, based on excitation polarization tuning in the sample plane, is able to probe molecular orientational order in biological samples; however this applies only to information in 2D, projected in the sample plane. To surpass this limitation, we extended this approach to excitation polarization tuning in 3D. The principle is based on the decomposition of any arbitrary 3D linear excitation in a polarization along the longitudinal z-axis, and a polarization in the transverse xy-sample plane. We designed an interferometer with one arm generating radial polarization light (thus producing longitudinal polarization under high numerical aperture focusing), the other arm controlling a linear polarization in the transverse plane. The amplitude ratio between the two arms can vary so as to get any linear polarized excitation in 3D at the focus of a high NA objective. This technique has been characterized by polarimetry imaging at the back focal plane of the focusing objective, and modeled theoretically. 3D polarized fluorescence microscopy is demonstrated on actin stress fibers in non-flat cells suspended on synthetic polymer structures forming supporting pillars, for which heterogeneous actin orientational order could be identified. This technique shows a great potential in structural investigations in 3D biological systems, such as cell spheroids and tissues.

  19. Molecular Beam Epitaxial Growth of GaAs on (631) Oriented Substrates

    SciTech Connect

    Cruz Hernandez, Esteban; Rojas Ramirez, Juan-Salvador; Contreras Hernandez, Rocio; Lopez Lopez, Maximo; Pulzara Mora, Alvaro; Mendez Garcia, Victor H.

    2007-02-09

    In this work, we report the study of the homoepitaxial growth of GaAs on (631) oriented substrates by molecular beam epitaxy (MBE). We observed the spontaneous formation of a high density of large scale features on the surface. The hilly like features are elongated towards the [-5, 9, 3] direction. We show the dependence of these structures with the growth conditions and we present the possibility of to create quantum wires structures on this surface.

  20. Manganese oxide nanowires, films, and membranes and methods of making

    DOEpatents

    Suib, Steven Lawrence [Storrs, CT; Yuan, Jikang [Storrs, CT

    2011-02-15

    Nanowires, films, and membranes comprising ordered porous manganese oxide-based octahedral molecular sieves and methods of making the same are disclosed. A method for forming nanowires includes hydrothermally treating a chemical precursor composition in a hydrothermal treating solvent to form the nanowires, wherein the chemical precursor composition comprises a source of manganese cations and a source of counter cations, and wherein the nanowires comprise ordered porous manganese oxide-based octahedral molecular sieves.

  1. Stress effects on the initial lithiation of crystalline silicon nanowires: Reactive molecular dynamics simulations using ReaxFF

    DOE PAGES

    Ostadhossein, Alireza; Cubuk, Ekin D.; Tritsaris, Georgios A.; ...

    2014-12-18

    Silicon (Si) has been recognized as a promising anode material for the next-generation high-capacity lithium (Li)-ion batteries because of its high theoretical energy density. Recent in situ transmission electron microscopy (TEM) revealed that the electrochemical lithiation of crystalline Si nanowires (c-SiNWs) proceeds by the migration of the interface between the lithiated Si (LixSi) shell and the pristine unlithiated core, accompanied by solid-state amorphization. The underlying atomic mechanisms of Li insertion into c-Si remain poorly understood. In this research, we perform molecular dynamics (MD) simulations using the reactive force field (ReaxFF) to characterize the lithiation process of c-SiNWs. Our calculations showmore » that ReaxFF can accurately reproduce the energy barriers of Li migration from DFT calculations in both crystalline (c-Si) and amorphous Si (a-Si). The ReaxFF-based MD simulations reveal that Li insertion into interlayer spacing between two adjacent (111) planes results in the peeling-off of the (111) facets and subsequent amorphization, in agreement with experimental observations. We find that breaking of the Si–Si bonds between (111)-bilayers requires a rather high local Li concentration, which explains the atomically sharp amorphous–crystalline interface (ACI). Our stress analysis shows that lithiation induces compressive stress at the ACI layer, causing retardation or even the stagnation of the reaction front, also in good agreement with TEM observations. Lithiation at high temperatures (e.g. 1200 K) shows that Li insertion into c-SiNW results in an amorphous to crystalline phase transformation at Li : Si composition of ~4.2:1. In conclusion, our modeling results provide a comprehensive picture of the effects of reaction and diffusion-induced stress on the interfacial dynamics and mechanical degradation of SiNW anodes under chemo-mechanical lithiation.« less

  2. Structural and optical properties of InGaN-GaN nanowire heterostructures grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Limbach, F.; Gotschke, T.; Stoica, T.; Calarco, R.; Sutter, E.; Ciston, J.; Cusco, R.; Artus, L.; Kremling, S.; Höfling, S.; Worschech, L.; Grützmacher, D.

    2011-01-01

    InGaN/GaN nanowire (NW) heterostructures grown by plasma assisted molecular beam epitaxy were studied in comparison to their GaN and InGaN counterparts. The InGaN/GaN heterostructure NWs are composed of a GaN NW, a thin InGaN shell, and a multifaceted InGaN cap wrapping the top part of the GaN NW. High-resolution transmission electron microscopy (HRTEM) images taken from different parts of a InGaN/GaN NW show a wurtzite structure of the GaN core and the epitaxial InGaN shell around it, while additional crystallographic domains are observed whithin the InGaN cap region. Large changes in the lattice parameter along the wire, from pure GaN to higher In concentration demonstrate the successful growth of a complex InGaN/GaN NW heterostructure. Photoluminescence (PL) spectra of these heterostructure NW ensembles show rather broad and intense emission peak at 2.1 eV. However, μ-PL spectra measured on single NWs reveal a reduced broadening of the visible luminescence. The analysis of the longitudinal optical phonon Raman peak position and its shape reveal a variation in the In content between 20% and 30%, in agreement with the values estimated by PL and HRTEM investigations. The reported studies are important for understanding of the growth and properties of NW heterostructures suitable for applications in optoelectronics and photovoltaics.

  3. Stress effects on the initial lithiation of crystalline silicon nanowires: Reactive molecular dynamics simulations using ReaxFF

    SciTech Connect

    Ostadhossein, Alireza; Cubuk, Ekin D.; Tritsaris, Georgios A.; Kaxiras, Efthimios; Zhang, Sulin; Adri C. T. van Duin

    2014-12-18

    Silicon (Si) has been recognized as a promising anode material for the next-generation high-capacity lithium (Li)-ion batteries because of its high theoretical energy density. Recent in situ transmission electron microscopy (TEM) revealed that the electrochemical lithiation of crystalline Si nanowires (c-SiNWs) proceeds by the migration of the interface between the lithiated Si (LixSi) shell and the pristine unlithiated core, accompanied by solid-state amorphization. The underlying atomic mechanisms of Li insertion into c-Si remain poorly understood. In this research, we perform molecular dynamics (MD) simulations using the reactive force field (ReaxFF) to characterize the lithiation process of c-SiNWs. Our calculations show that ReaxFF can accurately reproduce the energy barriers of Li migration from DFT calculations in both crystalline (c-Si) and amorphous Si (a-Si). The ReaxFF-based MD simulations reveal that Li insertion into interlayer spacing between two adjacent (111) planes results in the peeling-off of the (111) facets and subsequent amorphization, in agreement with experimental observations. We find that breaking of the Si–Si bonds between (111)-bilayers requires a rather high local Li concentration, which explains the atomically sharp amorphous–crystalline interface (ACI). Our stress analysis shows that lithiation induces compressive stress at the ACI layer, causing retardation or even the stagnation of the reaction front, also in good agreement with TEM observations. Lithiation at high temperatures (e.g. 1200 K) shows that Li insertion into c-SiNW results in an amorphous to crystalline phase transformation at Li : Si composition of ~4.2:1. In conclusion, our modeling results provide a comprehensive picture of the effects of reaction and diffusion-induced stress on the interfacial dynamics and mechanical degradation of SiNW anodes under chemo-mechanical lithiation.

  4. Two-step fabrication of self-catalyzed Ga-based semiconductor nanowires on Si by molecular-beam epitaxy.

    PubMed

    Yu, Xuezhe; Li, Lixia; Wang, Hailong; Xiao, Jiaxing; Shen, Chao; Pan, Dong; Zhao, Jianhua

    2016-05-19

    For the epitaxial growth of Ga-based III-V semiconductor nanowires (NWs) on Si, Ga droplets could provide a clean and compatible solution in contrast to the common Au catalyst. However, the use of Ga droplets is rather limited except for that in Ga-catalyzed GaAs NW studies in a relatively narrow growth temperature (Ts) window around 620 °C on Si. In this paper, we have investigated the two-step growth of Ga-catalyzed III-V NWs on Si (111) substrates by molecular-beam epitaxy. First, by optimizing the surface oxide, vertically aligned GaAs NWs with a high yield are obtained at Ts = 620 °C. Then a two-temperature procedure is adopted to preserve Ga droplets at lower Ts, which leads to an extension of Ts down to 500 °C for GaAs NWs. Based on this procedure, systematic morphological and structural studies for Ga-catalyzed GaAs NWs in the largest Ts range could be presented. Then within the same growth scheme, for the first time, we demonstrate Ga-catalyzed GaAs/GaSb heterostructure NWs. These GaSb NWs are axially grown on the GaAs NW sections and are pure zinc-blende single crystals. Compositional measurements confirm that the catalyst particles indeed mainly consist of Ga and GaSb sections are of high purity but with a minor composition of As. In the end, we present GaAsSb NW growth with a tunable Sb composition. Our results provide useful information for the controllable synthesis of multi-compositional Ga-catalyzed III-V semiconductor NWs on Si for heterogeneous integration.

  5. Structural and optical properties of InGaN--GaN nanowire heterostructures grown by molecular beam epitaxy

    DOE PAGES

    Limbach, F.; Gotschke, T.; Stoica, T.; ...

    2011-01-01

    InGaN/GaN nanowire (NW) heterostructures grown by plasma assisted molecular beam epitaxy were studied in comparison to their GaN and InGaN counterparts. The InGaN/GaN heterostructure NWs are composed of a GaN NW, a thin InGaN shell, and a multifaceted InGaN cap wrapping the top part of the GaN NW. High-resolution transmission electron microscopy (HRTEM) images taken from different parts of a InGaN/GaN NW show a wurtzite structure of the GaN core and the epitaxial InGaN shell around it, while additional crystallographic domains are observed whithin the InGaN cap region. Large changes in the lattice parameter along the wire, from pure GaNmore » to higher In concentration demonstrate the successful growth of a complex InGaN/GaN NW heterostructure. Photoluminescence (PL) spectra of these heterostructure NW ensembles show rather broad and intense emission peak at 2.1 eV. However, μ-PL spectra measured on single NWs reveal a reduced broadening of the visible luminescence. The analysis of the longitudinal optical phonon Raman peak position and its shape reveal a variation in the In content between 20% and 30%, in agreement with the values estimated by PL and HRTEM investigations. The reported studies are important for understanding of the growth and properties of NW heterostructures suitable for applications in optoelectronics and photovoltaics.« less

  6. Structural and optical properties of InGaN--GaN nanowire heterostructures grown by molecular beam epitaxy

    SciTech Connect

    Limbach, F.; Gotschke, T.; Stoica, T.; Calarco, R.; Sutter, E.; Ciston, J.; Cusco, R.; Artus, L.; Kremling, S.; Hofling, S.; Worschech, L.; Grutzmacher, D.

    2011-01-01

    InGaN/GaN nanowire (NW) heterostructures grown by plasma assisted molecular beam epitaxy were studied in comparison to their GaN and InGaN counterparts. The InGaN/GaN heterostructure NWs are composed of a GaN NW, a thin InGaN shell, and a multifaceted InGaN cap wrapping the top part of the GaN NW. High-resolution transmission electron microscopy (HRTEM) images taken from different parts of a InGaN/GaN NW show a wurtzite structure of the GaN core and the epitaxial InGaN shell around it, while additional crystallographic domains are observed whithin the InGaN cap region. Large changes in the lattice parameter along the wire, from pure GaN to higher In concentration demonstrate the successful growth of a complex InGaN/GaN NW heterostructure. Photoluminescence (PL) spectra of these heterostructure NW ensembles show rather broad and intense emission peak at 2.1 eV. However, μ-PL spectra measured on single NWs reveal a reduced broadening of the visible luminescence. The analysis of the longitudinal optical phonon Raman peak position and its shape reveal a variation in the In content between 20% and 30%, in agreement with the values estimated by PL and HRTEM investigations. The reported studies are important for understanding of the growth and properties of NW heterostructures suitable for applications in optoelectronics and photovoltaics.

  7. In situ real-time spectroscopic ellipsometry measurement for the investigation of molecular orientation in organic amorphous multilayer structures

    NASA Astrophysics Data System (ADS)

    Yokoyama, Daisuke; Adachi, Chihaya

    2010-06-01

    To investigate molecular orientation in organic amorphous films, in situ real-time spectroscopic ellipsometry measurements were performed during vacuum deposition. Three materials with different molecular shapes were adopted to confirm the generality of the molecular orientation. In all three cases, more than 200 000 values for the ellipsometric parameters measured during deposition were well simulated simultaneously over the entire spectral range and measurement period using a simple model where the films possessed homogeneous optical anisotropy. This demonstrated the homogeneity of the molecular orientation in the direction of film thickness. The molecular orientation can be controlled by the substrate temperature even in multilayer structures. It is also demonstrated that a "multilayer structure" can be fabricated using only one material, where each layer has different optical and electrical properties.

  8. Nanowire Thermoelectric Devices

    NASA Technical Reports Server (NTRS)

    Borshchevsky, Alexander; Fleurial, Jean-Pierre; Herman, Jennifer; Ryan, Margaret

    2005-01-01

    Nanowire thermoelectric devices, now under development, are intended to take miniaturization a step beyond the prior state of the art to exploit the potential advantages afforded by shrinking some device features to approximately molecular dimensions (of the order of 10 nm). The development of nanowire-based thermoelectric devices could lead to novel power-generating, cooling, and sensing devices that operate at relatively low currents and high voltages. Recent work on the theory of thermoelectric devices has led to the expectation that the performance of such a device could be enhanced if the diameter of the wires could be reduced to a point where quantum confinement effects increase charge-carrier mobility (thereby increasing the Seebeck coefficient) and reduce thermal conductivity. In addition, even in the absence of these effects, the large aspect ratios (length of the order of tens of microns diameter of the order of tens of nanometers) of nanowires would be conducive to the maintenance of large temperature differences at small heat fluxes. The predicted net effect of reducing diameters to the order of tens of nanometers would be to increase its efficiency by a factor of .3. Nanowires made of thermoelectric materials and devices that comprise arrays of such nanowires can be fabricated by electrochemical growth of the thermoelectric materials in templates that contain suitably dimensioned pores (10 to 100 nm in diameter and 1 to 100 microns long). The nanowires can then be contacted in bundles to form devices that look similar to conventional thermoelectric devices, except that a production version may contain nearly a billion elements (wires) per square centimeter, instead of fewer than a hundred as in a conventional bulk thermoelectric device or fewer than 100,000 as in a microdevice. It is not yet possible to form contacts with individual nanowires. Therefore, in fabricating a nanowire thermoelectric device, one forms contacts on nanowires in bundles of the

  9. Superconducting tunneling studies on thin film gold nanowires coupled to a BCS superconductor

    NASA Astrophysics Data System (ADS)

    Wei, Peng; Katmis, Ferhat; Chang, Cui-Zu; Lee, Patrick; Moodera, Jagadeesh

    2015-03-01

    The nanowire patterned out of (111)-oriented gold thin film is an excellent candidate for hosting Majorana bound states (MBS) when it is coupled to an s-wave superconductor. The robust MBS is guaranteed by the large Rashba spin-orbit coupling (SOC) of gold surface state, as well as by large spatial separations between the two MBS in fabricated micrometer size long nanowires. In addition, being able to produce complex nanowire circuit, our approach is better streamlined for achieving the braiding circuit of Majorana fermions. We present our experimental approach of growing high quality hetero-layers consisting of epitaxial (111)-oriented gold thin film on vanadium using molecular beam epitaxy (MBE). Unique lithography processes are developed to pattern the top gold thin film into nanowires with a width around 100nm without damaging the hetero-layers such as its topography or superconducting behavior. Superconductive tunneling studies are performed over the gold nanowire using lithographically fabricated planar tunnel junctions. These tunneling characteristics will be discussed. We acknowledge support from John Templeton Foundation, NSF DMR-1207469 and ONR N00014-13-1-0301.

  10. Rational defect introduction in silicon nanowires.

    PubMed

    Shin, Naechul; Chi, Miaofang; Howe, Jane Y; Filler, Michael A

    2013-05-08

    The controlled introduction of planar defects, particularly twin boundaries and stacking faults, in group IV nanowires remains challenging despite the prevalence of these structural features in other nanowire systems (e.g., II-VI and III-V). Here we demonstrate how user-programmable changes to precursor pressure and growth temperature can rationally generate both transverse twin boundaries and angled stacking faults during the growth of <111> oriented Si nanowires. We leverage this new capability to demonstrate prototype defect superstructures. These findings yield important insight into the mechanism of defect generation in semiconductor nanowires and suggest new routes to engineer the properties of this ubiquitous semiconductor.

  11. The influence of molecular pre-orientation on the resonance-enhanced multi-photon ionization dynamics

    NASA Astrophysics Data System (ADS)

    Zhang, Xiao-Miao; Li, Jing-Lun; Yu, Jie; Cong, Shu-Lin

    2017-03-01

    We investigate theoretically the influence of molecular pre-orientation on the resonance-enhanced multi-photon ionization (REMPI) dynamics, taking the LiH molecule for example. The LiH molecule is first pre-oriented by a single-cycle pulse (SCP) in terahertz (THz) region, and then excited by the femtosecond pump pulse, and finally ionized by the femtosecond probe pulse. We focus on the impact of the pre-orientation on the ionization probability, energy- and angle-resolved photoelectron spectra and photoelectron angular distribution (PAD). It is found that the ionization probability and peak intensity of energy-resolved photoelectron spectra are significantly affected by molecular orientation. The angle-resolved photoelectron spectra are related to the molecular orientation. The PAD can be changed by varying the delay time between the THz SCP and pump pulse. We also investigate the effect of temperature on excitation and ionization dynamics.

  12. Parity-selective enhancement of field-free molecular orientation in an intense two-color laser field

    SciTech Connect

    Yun, Hyeok; Nam, Chang Hee; Kim, Hyung Taek; Kim, Chul Min; Lee, Jongmin

    2011-12-15

    We investigated the characteristics of molecular orientation induced by a nonresonant two-color femtosecond laser field. By analyzing the rotational dynamics of asymmetric linear molecules, we revealed that the critical parameter in characterizing the molecular orientation was the hyperpolarizability of molecules that selected the excitation paths of rotational states between parity-changing and parity-conserving transitions. Especially, in the case of molecules with small hyperpolarizability, a significant enhancement of orientation was achieved at the half-rotational period, instead of the full-rotational period. This deeper understanding of the hyperpolarizability-dependent characteristics of molecular orientation in a two-color scheme can provide an effective method to achieve significantly enhanced field-free orientation for various polar molecules.

  13. Raman spectroscopy based measurements of carrier concentration in n-type GaN nanowires grown by plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Robins, L. H.; Horneber, E.; Sanford, N. A.; Bertness, K. A.; Brubaker, M. D.; Schlager, J. B.

    2016-09-01

    The carrier concentration in as-grown ensembles of n-type GaN nanowires was determined by Raman spectroscopy of the coupled longitudinal phonon-plasmon (LPP+) mode and modeling of the carrier concentration dependence of the LPP+ frequency. The Raman measurements and analyses enabled estimation of the carrier concentration in single-nanowire devices fabricated from the as-grown ensembles. The nanowires were grown by plasma-assisted molecular beam epitaxy in either of the two growth systems. Twelve samples were examined, of which 11 samples were Si-doped and one was undoped. The Raman-measured carrier concentrations in the Si-doped samples ranged from (5.28 ± 1.19) × 1016 cm-3 to (6.16 ± 0.35) × 1017 cm-3. For a subset of samples grown with varying Si cell temperature, from 1125 °C to 1175 °C, the carrier concentration was found to be an Arrhenius function of Si cell temperature, with activation energy of 6.281 ± 0.011 eV . Co-illumination by an above band gap UV laser (325 nm, excitation intensity = 0.7 W/cm2 or 4.5 W/cm2) induced small increases in carrier concentration, relative to illumination by the Raman excitation laser alone (633 nm, excitation intensity ≈100 kW/cm2). The lowest Si-doped sample showed the largest increase in carrier concentration, (6.3 ± 4.8) × 1015 cm-3 with UV excitation intensity of 0.7 W/cm2. These results imply that, even in the absence of UV illumination, surface depletion does not have a significant effect on the Raman carrier concentration measurements. Immersion in a high-dielectric-constant oil (ɛ = 2.24) caused downshifts of similar magnitude in the LPP+ frequencies of undoped and doped nanowires. This result implies that the LPP+ mode has bulk plasmon rather than surface plasmon character, because immersion in a high-dielectric-constant medium is predicted to cause a large decrease in the surface plasmon frequency, which would induce a larger LPP+ downshift in doped than undoped nanowires. A surface optical (SO) phonon

  14. Monitoring molecular orientational order in NLO push-pull based polymeric films via photoacoustic measurements

    NASA Astrophysics Data System (ADS)

    Torres-Zúñiga, V.; Castañeda-Guzmán, R.; Morales-Saavedra, O. G.; Pérez-Martínez, A. L.; Ogawa, T.

    2011-12-01

    The pulsed-laser photoacoustic-technique (PLPA) was implemented to characterize molecular orientational order and anisotropy in push-pull poled polymeric films as function of temperature and laser polarization. Traditionally, photoacoustic signals are considered to be directly proportional to the linear optical absorption in amorphous media. In this work, however, it is shown that photoacoustic signals can also be highly sensitive to the material anisotropy when convenient polarization dependent photoacoustic analyses are performed. Thus, variation of the molecular orientation in organic films, comprising rod-like polar chromophores, can be unambiguously monitored via rms-analyses performed on the amplitude of the generated opto-acoustical PLPA-signals as function of the incident laser polarization. This result can be useful for the characterization of organic-based nonlinear optical (NLO) poled films and, in general, in studies of anisotropic materials. In fact, in this work we were able to accurately determine the molecular order parameter ( ϕ) of a NLO-active spin-coated polymeric film containing optically active push-pull chromophores. These molecules, previously oriented via an electrical-poling procedure, are capable to exhibit strong second harmonic generation (SHG) effects. The PLPA-measurements were systematically compared to the linear UV-vis optical absorbance spectra while heating the poled film sample in order to monitor the thermally induced molecular disorder, so that the order parameter may be photo-acoustically evaluated via the PLPA-signals generated from the poled to the unpoled film phase. These PLPA-experiments were performed taking into account the UV-vis reference spectra for calibration and comparison purposes in the evaluation of the order parameter. A significant advantage of the PLPA-technique over commonly used optical spectral methodologies is its convenient applicability in samples exhibiting poor or null optical transmission.

  15. Polarization-Dependent Measurements of Molecular Super Rotors with Oriented Angular Momenta

    NASA Astrophysics Data System (ADS)

    Murray, Matthew J.; Toro, Carlos; Liu, Qingnan; Mullin, Amy S.

    2014-05-01

    Controlling molecular motion would enable manipulation of energy flow between molecules. Here we have used an optical centrifuge to investigate energy transfer between molecular super rotors with oriented angular momenta. The polarizable electron cloud of the molecules interacts with the electric field of linearly polarized light that angularly accelerates over the time of the optical pulse. This process drives molecules into high angular momentum states that are oriented with the optical field and have energies far from equilibrium. High resolution transient IR spectroscopy reveals the dynamics of collisional energy transfer for these super excited rotors. The results of this study leads to a more fundamental understanding of energy balance in non-equilibrium environments and the physical and chemical properties of gases in a new regime of energy states. Results will be presented for several super rotor species including carbon monoxide, carbon dioxide, and acetylene. Polarization-dependent measurements reveal the extent to which the super rotors maintain spatial orientation of high angular momentum states.

  16. Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization

    DOE PAGES

    Cassidy, Andrew; Jørgensen, Mads R. V.; Rosu-Finsen, Alexander; ...

    2016-10-02

    It has recently been demonstrated that nanoscale molecular films can spontaneously assemble to self-generate intrinsic electric fields that can exceed 108 V/m. These electric fields originate from polarization charges in the material that arise because the films self-assemble to orient molecular dipole moments. This has been called the spontelectric effect. Such growth of spontaneously polarized layers of molecular solids has implications for our understanding of how intermolecular interactions dictate the structure of molecular materials used in a range of applications, for example, molecular semiconductors, sensors, and catalysts. In this paper, we present the first in situ structural characterization of amore » representative spontelectric solid, nitrous oxide. Infrared spectroscopy, temperature-programmed desorption, and neutron reflectivity measurements demonstrate that polarized films of nitrous oxide undergo a structural phase transformation upon heating above 48 K. A mean-field model can be used to describe quantitatively the magnitude of the spontaneously generated field as a function of film-growth temperature, and this model also recreates the phase change. Finally, this reinforces the spontelectric model as a means of describing long-range dipole–dipole interactions and points to a new type of ordering in molecular thin films.« less

  17. Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization

    SciTech Connect

    Cassidy, Andrew; Jørgensen, Mads R. V.; Rosu-Finsen, Alexander; Lasne, Jérôme; Jørgensen, Jakob H.; Glavic, Artur; Lauter, Valeria; Iversen, Bo B.; McCoustra, Martin R. S.; Field, David

    2016-10-02

    It has recently been demonstrated that nanoscale molecular films can spontaneously assemble to self-generate intrinsic electric fields that can exceed 108 V/m. These electric fields originate from polarization charges in the material that arise because the films self-assemble to orient molecular dipole moments. This has been called the spontelectric effect. Such growth of spontaneously polarized layers of molecular solids has implications for our understanding of how intermolecular interactions dictate the structure of molecular materials used in a range of applications, for example, molecular semiconductors, sensors, and catalysts. In this paper, we present the first in situ structural characterization of a representative spontelectric solid, nitrous oxide. Infrared spectroscopy, temperature-programmed desorption, and neutron reflectivity measurements demonstrate that polarized films of nitrous oxide undergo a structural phase transformation upon heating above 48 K. A mean-field model can be used to describe quantitatively the magnitude of the spontaneously generated field as a function of film-growth temperature, and this model also recreates the phase change. Finally, this reinforces the spontelectric model as a means of describing long-range dipole–dipole interactions and points to a new type of ordering in molecular thin films.

  18. Dipole-Oriented Molecular Solids Can Undergo a Phase Change and Still Maintain Electrical Polarization

    SciTech Connect

    Cassidy, Andrew; Jørgensen, Mads R. V.; Rosu-Finsen, Alexander; Lasne, Jérôme; Jørgensen, Jakob H.; Glavic, Artur; Lauter, Valeria; Iversen, Bo B.; McCoustra, Martin R. S.; Field, David

    2016-10-02

    It has recently been demonstrated that nanoscale molecular films can spontaneously assemble to self-generate intrinsic electric fields that can exceed 108 V/m. These electric fields originate from polarization charges in the material that arise because the films self-assemble to orient molecular dipole moments. This has been called the spontelectric effect. Such growth of spontaneously polarized layers of molecular solids has implications for our understanding of how intermolecular interactions dictate the structure of molecular materials used in a range of applications, for example, molecular semiconductors, sensors, and catalysts. In this paper, we present the first in situ structural characterization of a representative spontelectric solid, nitrous oxide. Infrared spectroscopy, temperature-programmed desorption, and neutron reflectivity measurements demonstrate that polarized films of nitrous oxide undergo a structural phase transformation upon heating above 48 K. A mean-field model can be used to describe quantitatively the magnitude of the spontaneously generated field as a function of film-growth temperature, and this model also recreates the phase change. Finally, this reinforces the spontelectric model as a means of describing long-range dipole–dipole interactions and points to a new type of ordering in molecular thin films.

  19. Exploiting orientation-selective DEER: determining molecular structure in systems containing Cu(ii) centres.

    PubMed

    Bowen, Alice M; Jones, Michael W; Lovett, Janet E; Gaule, Thembanikosi G; McPherson, Michael J; Dilworth, Jonathan R; Timmel, Christiane R; Harmer, Jeffrey R

    2016-02-17

    Orientation-selective DEER (Double Electron-Electron Resonance) measurements were conducted on a series of rigid and flexible molecules containing Cu(ii) ions. A system with two rigidly held Cu(ii) ions was afforded by the protein homo-dimer of copper amine oxidase from Arthrobacter globiformis. This system provided experimental DEER data between two Cu(ii) ions with a well-defined distance and relative orientation to assess the accuracy of the methodology. Evaluation of orientation-selective DEER (os DEER) on systems with limited flexibility was probed using a series of porphyrin-based Cu(ii)-nitroxide and Cu(ii)-Cu(ii) model systems of well-defined lengths synthesized for this project. Density functional theory was employed to generate molecular models of the conformers for each porphyrin-based Cu(ii) dimer studied. Excellent agreement was found between DEER traces simulated using these computed conformers and the experimental data. The performance of different parameterised structural models in simulating the experimental DEER data was also investigated. The results of this analysis demonstrate the degree to which the DEER data define the relative orientation of the two Cu(ii) ions and highlight the need to choose a parameterised model that captures the essential features of the flexibility (rotational freedom) of the system being studied.

  20. Nanowire-based All Oxide Solar Cells

    SciTech Connect

    Yang*, Benjamin D. Yuhas and Peidong; Yang, Peidong

    2008-12-07

    We present an all-oxide solar cell fabricated from vertically oriented zinc oxide nanowires and cuprous oxide nanoparticles. Our solar cell consists of vertically oriented n-type zinc oxide nanowires, surrounded by a film constructed from p-type cuprous oxide nanoparticles. Our solution-based synthesis of inexpensive and environmentally benign oxide materials in a solar cell would allow for the facile production of large-scale photovoltaic devices. We found that the solar cell performance is enhanced with the addition of an intermediate oxide insulating layer between the nanowires and the nanoparticles. This observation of the important dependence of the shunt resistance on the photovoltaic performance is widely applicable to any nanowire solar cell constructed with the nanowire array in direct contact with one electrode.

  1. MBE growth of self-assisted InAs nanowires on graphene

    NASA Astrophysics Data System (ADS)

    Kang, Jung-Hyun; Ronen, Yuval; Cohen, Yonatan; Convertino, Domenica; Rossi, Antonio; Coletti, Camilla; Heun, Stefan; Sorba, Lucia; Kacman, Perla; Shtrikman, Hadas

    2016-11-01

    Self-assisted growth of InAs nanowires on graphene by molecular beam epitaxy is reported. Nanowires with diameter of ∼50 nm and aspect ratio of up to 100 were achieved. The morphological and structural properties of the nanowires were carefully studied by changing the substrate from bilayer graphene through buffer layer to quasi-free-standing monolayer graphene. The positional relation of the InAs NWs with the graphene substrate was determined. A 30° orientation configuration of some of the InAs NWs is shown to be related to the surface corrugation of the graphene substrate. InAs NW-based devices for transport measurements were fabricated, and the conductance measurements showed a semi-ballistic behavior. In Josephson junction measurements in the non-linear regime, multiple Andreev reflections were observed, and an inelastic scattering length of about 900 nm was derived.

  2. Mapping molecular orientation in dry and wet Nephila clavipes dragline spider silk

    NASA Astrophysics Data System (ADS)

    Lefèvre, Thierry; Pézolet, Michel; Cooper, Glyn; Hernández Cruz, Daniel; West, Marcia M.; Obst, Martin; Hitchcock, Adam P.; Karunakaran, Chithra; Kaznatcheev, Konstantine

    2009-09-01

    The alignment of β-sheets within spider dragline silk fibers is an important factor in their tensile strength and extensibility. We are using linear dichroism of the C 1s → π*amide transition measured using scanning transmission X-ray microscopy (STXM) to generate quantitative maps of the orientation parameters with 30 nm spatial resolution. Here we have extended these measurements from dry samples to samples with partial or full hydration. A device for monitoring and controlling the humidity of a sample in the STXM is described and used to measure the effect of saturated humidity on a section of N. clavipes dragline spider silk. The microstructure and distributions of molecular orientation change considerably with hydration in ways consistent with the supercontraction observed in free standing dragline spider silk. The STXM results are compared to infrared and Raman microscopy results.

  3. Quantitative analysis of molecular orientation in chlorophyll a Langmuir monolayer: a polarized visible reflection spectroscopic study.

    PubMed Central

    Okamura, E; Hasegawa, T; Umemura, J

    1995-01-01

    Polarized visible reflection spectra of a chlorophyll a (Chl.a) Langmuir monolayer have been measured in situ at various surface pressures. By applying Hansen's optics to the three-phase plane-bounded system (air/Chl.a monolayer/water), the negative reflection absorbances observed were reproduced satisfactorily by the theoretical calculation. Molecular orientation of Chl.a in the monolayer was evaluated quantitatively as a function of surface pressure, from the reflection absorbance of p- and s-polarized spectra of the red (Qy) band. It has been proven that Chl.a molecules in the monolayer form aggregates (islands) even in the low surface pressure region and that during the monolayer compression the molecules are gradually reorganized from inhomogeneous islands to ordered structures, with the chromophores oriented on the average vertically to the water surface. Images FIGURE 1 PMID:8519968

  4. Mapping molecular conformation and orientation of polyimide surfaces for homeotropicliquid crystal alignment by nonlinear optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Oh-E, Masahito; Yokoyama, Hiroshi; Kim, Doseok

    2004-05-01

    Surface-specific sum-frequency vibrational spectroscopy and second-harmonic generation were used to study the structures of polyimide (PI) surfaces for homeotropic liquid crystal (LC) alignment and the molecular orientation of LC adsobates on these surfaces. The imide ring was perpendicular to the surface with one of CO bonds protruding out of the surface and the other pointing into the bulk rather than flat on the surface. The ester CO bond in the side chain was sticking out of the surface with a tilt angle of about 45° 55° from the surface normal, indicating that the rigid side chain core was, more or less, along the surface normal. The part of alkyl chain on the top of the side chain followed the orientation of the side chain core and protruded out of the surface with some gauche defects. The cyano biphenyl LC molecules were adsorbed on the PI preferentially with the terminal cyano group facing the PI surface.

  5. Molecular orientation and anisotropic carrier mobility in poorly soluble polythiophene thin films

    NASA Astrophysics Data System (ADS)

    Hosokawa, Yuki; Misaki, Masahiro; Yamamoto, Satoshi; Torii, Masafumi; Ishida, Kenji; Ueda, Yasukiyo

    2012-05-01

    Oriented thin films of a poorly soluble polythiophene, poly[benzo[1,2-d:4,5-d']bisthiazole-2,6-diyl(3',4,4″,4″'-tetradodecyl[2,2':5',2″:5″,2″'-quaterthiophene]-5,5″'-diyl)], were fabricated using the friction-transfer technique. The detail of the film structure was investigated using polarized UV-vis spectroscopy, transmission electron microscopy, and grazing-incidence x-ray diffraction observations. The friction-transfer technique enables control of the anisotropic carrier transport according to the face-on and/or edge-on molecular orientations in films with one-directionally aligned polymer backbones.

  6. Synthesis and manipulation of metallic nanowires

    NASA Astrophysics Data System (ADS)

    Bentley, Anne K.

    Metallic nanowires (200 nm in diameter and of varying lengths) were fabricated by electrodeposition into the pores of alumina and polycarbonate templates. Cu-Sn alloy nanowires were electrodeposited from a single electrolyte containing Cu2+ and Sn2+ ions using both constant-potential and pulsed-potential techniques. The composition of the Cu-Sn alloys was characterized by powder X-ray diffraction, and the effect of the electrodeposition conditions on the alloy composition was determined. To manipulate and position the bronze alloy nanowires, nickel caps were grown on each end by sequential electrodeposition of nickel, delta-CuSn, and nickel. The segmented nanowires were ferromagnetic and responded to magnetic fields. In suspensions, the nanowires could be oriented in any direction by applying a magnetic field. The nanowires were dispersed on pairs of nickel stripes photolithographically defined on silicon substrates while an applied magnetic field encouraged the alignment of the nanowires between the stripes. Improved alignment was achieved compared to non-magnetic nanowires. The behavior of suspensions of nickel nanowires in a variety of solvents was examined. The nanowires settle in response to gravity at velocities that fall within the range of velocities predicted by Stokes theory. Nanowires settled more slowly in more viscous solvents. When magnetic fields are applied to the suspensions of nanowires, they scatter light in the plane perpendicular to the nanowire axis and containing the incident light beam. This light scattering effect was utilized to create a magneto-optical switch in which magnetic fields affect the intensity of light reaching a detector. When the suspensions of nanowires were placed in thin film cuvets and oriented with magnetic fields, the nanowires re-oriented the polarization of incident light. The template synthesis technique was adapted to develop an undergraduate laboratory experiment in which students create their own nickel nanowires

  7. Molecular dynamics simulations of the orientation properties of cytochrome c on the surface of single-walled carbon nanotubes.

    PubMed

    Zhang, Bing; Xu, Jia; Mo, Shu-Fan; Yao, Jian-Xi; Dai, Song-Yuan

    2016-12-01

    Electron transfer between cytochrome c (Cytc) and electrodes can be influenced greatly by the orientation of protein on the surface of the electrodes. In the present study, different initial orientations of Cytc on the surface of five types of single-walled carbon nanotubes (SWNTs), with different diameters and chirality, were constructed. Properties of the orientations of proteins on the surface of these tubes were first investigated through molecular dynamics simulations. It was shown that variations in SWNT diameter do not significantly affect the orientation; however, the chirality of the SWNTs is crucial to the orientation of the heme embedded in Cytc, and the orientation of the protein can consequently be influenced by the heme orientation. A new electron pathway between Cytc and SWNT, which hopefully benefits electron transfer efficiency, has also been proposed. This study promises to provide theoretical guidance for the rational design of bio-sensors or bio-fuel cells by using Cytc-decorated carbon nanotube electrodes.

  8. Expanding the versatility of silicon carbide thin films and nanowires

    NASA Astrophysics Data System (ADS)

    Luna, Lunet

    Silicon carbide (SiC) based electronics and sensors hold promise for pushing past the limits of current technology to achieve small, durable devices that can function in high-temperature, high-voltage, corrosive, and biological environments. SiC is an ideal material for such conditions due to its high mechanical strength, excellent chemical stability, and its biocompatibility. Consequently, SiC thin films and nanowires have attracted interest in applications such as micro- and nano-electromechanical systems, biological sensors, field emission cathodes, and energy storage devices. However to fully realize SiC in such technologies, the reliability of metal contacts to SiC at high temperatures must be improved and the nanowire growth mechanism must be understood to enable strict control of nanowire crystal structure and orientation. Here, we present a novel metallization scheme, utilizing solid-state graphitization of SiC, to improve the long-term reliability of Pt/Ti contacts to polycrystalline n-type SiC films at high temperature. The metallization scheme includes an alumina protection layer and exhibits low, stable contact resistivity even after long-term (500 hr) testing in air at 450 ºC. We also report the crystal structure and growth mechanism of Ni-assisted silicon carbide nanowires using single-source precursor, methyltrichlorosilane. The effects of growth parameters, such as substrate and temperature, on the structure and morphology of the resulting nanowires will also be presented. Overall, this study provides new insights towards the realization of novel SiC technologies, enabled by advanced electron microscopy techniques located in the user facilities at the Molecular Foundry in Berkeley, California. This work was performed in part at the Molecular Foundry, supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  9. Highly aligned vertical GaN nanowires using submonolayer metal catalysts

    DOEpatents

    Wang, George T [Albuquerque, NM; Li, Qiming [Albuquerque, NM; Creighton, J Randall [Albuquerque, NM

    2010-06-29

    A method for forming vertically oriented, crystallographically aligned nanowires (nanocolumns) using monolayer or submonolayer quantities of metal atoms to form uniformly sized metal islands that serve as catalysts for MOCVD growth of Group III nitride nanowires.

  10. Thermal resistance of twist boundaries in silicon nanowires by nonequilibrium molecular dynamics

    NASA Astrophysics Data System (ADS)

    Bohrer, Jan K.; Schröer, Kevin; Brendel, Lothar; Wolf, Dietrich E.

    2017-04-01

    The thermal boundary resistance (Kapitza resistance) of (001) twist boundaries in silicon is investigated by nonequilibrium molecular dynamics simulations. In order to enable continuous adjustment of the mismatch angle, a cylindrical geometry with fixed atomic positions at the boundaries is devised. The influence of the boundary conditions on the Kapitza resistance is removed by means of a finite size analysis. Due to the diamond structure of silicon, twist boundaries with mismatch angles ϕ and 90 ° - ϕ are not equivalent, whereas those with ± ϕ or with 90 ° ± ϕ are. The Kapitza resistance increases with mismatch angle up to 45 ° , where it reaches a plateau around 1.56 ± 0.05 K m 2 / GW . Between 80 ° and the 90 ° Σ 1 grain boundary it drops by about 30%. Surprisingly, lattice coincidence at other angles ( Σ 5 , Σ 13 , Σ 27 , Σ 25 ) has no noticable effect on the Kapitza resistance. However, there is a clear correlation between the Kapitza resistance and the width of a non-crystalline layer at the twist boundaries.

  11. Mid-infrared Laser-Induced Fluorescence with Nanosecond Time Resolution Using a Superconducting Nanowire Single-Photon Detector: New Technology for Molecular Science.

    PubMed

    Chen, Li; Schwarzer, Dirk; Verma, Varun B; Stevens, Martin J; Marsili, Francesco; Mirin, Richard P; Nam, Sae Woo; Wodtke, Alec M

    2017-06-20

    In contrast to UV photomultiplier tubes that are widely used in physical chemistry, mid-infrared detectors are notorious for poor sensitivity and slow time response. This helps explain why, despite the importance of infrared spectroscopy in molecular science, mid-infrared fluorescence is not more widely used. In recent years, several new technologies have been developed that open new experimental possibilities for research in the mid-infrared. In this Account, we present one of the more promising technologies, superconducting nanowire single photon detectors (SNSPDs) by sharing our experience with its use in a typical experiment carried out by physical chemists (laser-induced fluorescence) and comparing the SNSPD to a detector commonly used by physical chemists (InSb at LN Temperature). SNSPDs are fabricated from a thin film of superconducting metal, patterned into a meandering nanowire. The nanowire is cooled below its superconducting temperature, Tc, and held in a constant current circuit below the critical current necessary to destroy superconductivity, Ic. Upon absorption of a photon, the resulting heat is sufficient to destroy superconductivity across the entire width of the nanowire, an event that can be detected as a voltage pulse. In contrast to semiconductor-based detectors, which have a long wavelength cutoff determined by the band gap, the SNSPD exhibits single-photon sensitivity across the entire mid-IR spectrum. As these devices have not been used extensively outside the field of light detection technology research, one important goal of this Account is to provide practical details for the implementation of these devices in a physical chemistry laboratory. We provide extensive Supporting Information describing what is needed. This includes information on a liquid nitrogen cooled monochromator, the optical collection system including mid-infrared fibers, as well as a closed-cycle cryogenic cooler that reaches 0.3 K. We demonstrate the advantages of

  12. Re-orientation transition in molecular thin films: Potts model with dipolar interaction.

    PubMed

    Hoang, Danh-Tai; Kasperski, Maciej; Puszkarski, Henryk; Diep, H T

    2013-02-06

    We study the low-temperature behavior and the phase transition of a thin film by Monte Carlo simulation. The thin film has a simple cubic lattice structure where each site is occupied by a Potts parameter which indicates the molecular orientation of the site. We take only three molecular orientations in this paper, which correspond to the three-state Potts model. The Hamiltonian of the system includes (i) the exchange interaction J(ij) between nearest-neighbor sites i and j, (ii) the long-range dipolar interaction of amplitude D truncated at a cutoff distance r(c), and (iii) a single-ion perpendicular anisotropy of amplitude A. We allow J(ij) = J(s) between surface spins, and J(ij) = J otherwise. We show that the ground state depends on the ratio D/A and r(c). For a single layer, for a given A, there is a critical value D(c) below (above) which the ground-state (GS) configuration of molecular axes is perpendicular (parallel) to the film surface. When the temperature T is increased, a re-orientation transition occurs near D(c): the low-T in-plane ordering undergoes a transition to the perpendicular ordering at a finite T, below the transition to the paramagnetic phase. The same phenomenon is observed in the case of a film with a thickness. Comparison with the Fe/Gd experiment is given. We show that the surface phase transition can occur below or above the bulk transition depending on the ratio J(s)/J. Surface and bulk order parameters as well as other physical quantities are shown and discussed.

  13. Chemical beam epitaxy growth of III-V semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Mohummed Noori, Farah T.

    2013-12-01

    Indium- Arsenide (InAs) nanowires were grown in a high vacuum chemical beam epitaxy (CBE) unit on InAs(111) wafers substrates at 425-454°C. Two types of nanogold were used as orientation catalyst, 40nm and 80nm. The measurements were performed using scanning electron microscopy showed that uniform nanowires. The nanowires orient vertically in the InAs nanowire scanning electron microscopy of an array 80nm diameter InAs nanowire with length is in the range 0.5-1 μm and of an array 40nm diameter with length is in the range 0.3-0.7μm. The nanowire length with growth time shows that the linear increase of nanowires start to grow as soon as TMIn is available. The growth rate with temperature was studied.

  14. Chemical beam epitaxy growth of III–V semiconductor nanowires

    SciTech Connect

    Mohummed Noori, Farah T.

    2013-12-16

    Indium- Arsenide (InAs) nanowires were grown in a high vacuum chemical beam epitaxy (CBE) unit on InAs(111) wafers substrates at 425–454°C. Two types of nanogold were used as orientation catalyst, 40nm and 80nm. The measurements were performed using scanning electron microscopy showed that uniform nanowires. The nanowires orient vertically in the InAs nanowire scanning electron microscopy of an array 80nm diameter InAs nanowire with length is in the range 0.5–1 μm and of an array 40nm diameter with length is in the range 0.3–0.7μm. The nanowire length with growth time shows that the linear increase of nanowires start to grow as soon as TMIn is available. The growth rate with temperature was studied.

  15. Structural and photoluminescent properties of nanowires formed by the metal-assisted chemical etching of monocrystalline silicon with different doping level

    SciTech Connect

    Georgobiani, V. A. Gonchar, K. A.; Osminkina, L. A.; Timoshenko, V. Yu.

    2015-08-15

    Silicon-nanowire layers grown by the metal-assisted chemical etching of (100)-oriented p-type monocrystalline silicon substrates with a resistivity of 10 and 0.001 Ω · cm are studied by electron microscopy, Raman scattering, and photoluminescence measurements. It is established that nanowires grown on lightly doped substrates are structurally nonporous and formed as crystalline cores covered by nanocrystals 3–5 nm in dimensions. Nanowires grown on heavily doped substrates are structurally porous and contain both small nanocrystals and coarser crystallites with equilibrium charge carriers that influence interband radiative recombination. It is found that the photoluminescence intensity of nanowires in the spectral range 1.3–2.0 eV depends on the presence of molecular oxygen.

  16. Patterned procedure for template-synthesis and microstructural characterization of copper nanowires

    SciTech Connect

    Song Guojun; Li Xiaoru; Wang Yiqian; Peng Zhi; Yu Yongming; Li Peidong

    2010-03-15

    Highly ordered circular patterns of copper nanowire arrays were successfully deposited into designed anodic aluminum oxide templates. High-resolution transmission electron microscopy was used to study the microstructure of these Cu nanostructures. The results showed that the growth orientation of the copper nanowires was along [220] direction, and the broken orientation were along [202] and [022] directions, respectively. Regular cones were formed at the broken end of nanowires. Bent nanowires were also observed, this means that the copper nanowires have good mechanical properties when applied external force. Chemical analysis has been performed on Cu nanowires using electron energy-loss spectroscopy.

  17. Optical and structural study of GaN nanowires grown by catalyst-free molecular beam epitaxy. II. Sub-band-gap luminescence and electron irradiation effects

    SciTech Connect

    Robins, Lawrence H.; Bertness, Kris A.; Barker, Joy M.; Sanford, Norman A.; Schlager, John B.

    2007-06-01

    GaN nanowires with diameters of 50-250 nm, grown by catalyst-free molecular beam epitaxy, were characterized by photoluminescence (PL) and cathodoluminescence (CL) spectroscopy at temperatures from 3 to 297 K. Both as-grown samples and dispersions of the nanowires onto other substrates were examined. The properties of the near-band-edge PL and CL spectra were discussed in Part I of this study by [Robins et al. [L. H. Robins, K. A. Bertness, J. M. Barker, N. A. Sanford, and J. B. Schlager, J. Appl. Phys. 101,113505 (2007)]. Spectral features below the band gap, and the effect of extended electron irradiation on the CL, are discussed in Part II. The observed sub-band-gap PL and CL peaks are identified as phonon replicas of the free-exciton transitions, or excitons bound to structural defects or surface states. The defect-related peaks in the nanowires are correlated with luminescence lines previously reported in GaN films, denoted the Y lines [M. A. Reshchikov and H. Morkoc, J. Appl. Phys. 97, 061301 (2005)]. The CL was partially quenched by electron beam irradiation for an extended time; the quenching was stronger for the free and shallow-donor-bound exciton peaks than for the defect-related peaks. The quenching appeared to saturate at high irradiation dose (with final intensity {approx_equal}30% of initial intensity) and was reversible on thermal cycling to room temperature. The electron irradiation-induced quenching of the CL is ascribed to charge injection and trapping phenomena.

  18. Optical and structural study of GaN nanowires grown by catalyst-free molecular beam epitaxy. II. Sub-band-gap luminescence and electron irradiation effects

    NASA Astrophysics Data System (ADS)

    Robins, Lawrence H.; Bertness, Kris A.; Barker, Joy M.; Sanford, Norman A.; Schlager, John B.

    2007-06-01

    GaN nanowires with diameters of 50-250 nm, grown by catalyst-free molecular beam epitaxy, were characterized by photoluminescence (PL) and cathodoluminescence (CL) spectroscopy at temperatures from 3 to 297 K. Both as-grown samples and dispersions of the nanowires onto other substrates were examined. The properties of the near-band-edge PL and CL spectra were discussed in Part I of this study by [Robins et al. [L. H. Robins, K. A. Bertness, J. M. Barker, N. A. Sanford, and J. B. Schlager, J. Appl. Phys. 101,113505 (2007)]. Spectral features below the band gap, and the effect of extended electron irradiation on the CL, are discussed in Part II. The observed sub-band-gap PL and CL peaks are identified as phonon replicas of the free-exciton transitions, or excitons bound to structural defects or surface states. The defect-related peaks in the nanowires are correlated with luminescence lines previously reported in GaN films, denoted the Y lines [M. A. Reshchikov and H. Morkoc, J. Appl. Phys. 97, 061301 (2005)]. The CL was partially quenched by electron beam irradiation for an extended time; the quenching was stronger for the free and shallow-donor-bound exciton peaks than for the defect-related peaks. The quenching appeared to saturate at high irradiation dose (with final intensity ≈30% of initial intensity) and was reversible on thermal cycling to room temperature. The electron irradiation-induced quenching of the CL is ascribed to charge injection and trapping phenomena.

  19. EFFECTS OF MAGNETIC FIELD STRENGTH AND ORIENTATION ON MOLECULAR CLOUD FORMATION

    SciTech Connect

    Heitsch, Fabian; Hartmann, Lee W.; Stone, James M.

    2009-04-10

    We present a set of numerical simulations addressing the effects of magnetic field strength and orientation on the flow-driven formation of molecular clouds. Fields perpendicular to the flows sweeping up the cloud can efficiently prevent the formation of massive clouds but permit the buildup of cold, diffuse filaments. Fields aligned with the flows lead to substantial clouds, whose degree of fragmentation and turbulence strongly depends on the background field strength. Adding a random field component leads to a 'selection effect' for molecular cloud formation: high column densities are only reached at locations where the field component perpendicular to the flows is vanishing. Searching for signatures of colliding flows should focus on the diffuse, warm gas, since the cold gas phase making up the cloud will have lost the information about the original flow direction because the magnetic fields redistribute the kinetic energy of the inflows.

  20. Growth and characterization of dilute nitride GaN{sub x}P{sub 1−x} nanowires and GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowires on Si (111) by gas source molecular beam epitaxy

    SciTech Connect

    Sukrittanon, S.; Kuang, Y. J.; Dobrovolsky, A.; Chen, W. M.; Buyanova, I. A.; Kang, Won-Mo; Kim, Bong-Joong; Jang, Ja-Soon; Tu, C. W.

    2014-08-18

    We have demonstrated self-catalyzed GaN{sub x}P{sub 1−x} and GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowire growth by gas-source molecular beam epitaxy. The growth window for GaN{sub x}P{sub 1−x} nanowires was observed to be comparable to that of GaP nanowires (∼585 °C to ∼615 °C). Transmission electron microscopy showed a mixture of cubic zincblende phase and hexagonal wurtzite phase along the [111] growth direction in GaN{sub x}P{sub 1−x} nanowires. A temperature-dependent photoluminescence (PL) study performed on GaN{sub x}P{sub 1−x}/GaN{sub y}P{sub 1−y} core/shell nanowires exhibited an S-shape dependence of the PL peaks. This suggests that at low temperature, the emission stems from N-related localized states below the conduction band edge in the shell, while at high temperature, the emission stems from band-to-band transition in the shell as well as recombination in the GaN{sub x}P{sub 1−x} core.

  1. Analysis of Molecular Orientation in Organic Semiconducting Thin Films Using Static Dynamic Nuclear Polarization Enhanced Solid-State NMR.

    PubMed

    Suzuki, Katsuaki; Kubo, Shosei; Aussenac, Fabien; Engelke, Frank; Fukushima, Tatsuya; Kaji, Hironori

    2017-10-09

    Molecular orientation in amorphous organic semiconducting thin film devices is an important issue affecting device performances. However, to date it has not been possible to analyze the "distribution" of the orientations. Although solid-state NMR (ssNMR) can provide information on the distribution of molecular orientations, the technique is limited because of the small amounts of sample in the devices and the low sensitivity of ssNMR. Here, we report the first application of dynamic nuclear polarization enhanced ssNMR (DNP-ssNMR) to orientational analysis of amorphous phenyldi(pyren-1-yl)phosphine oxide (POPy2). The 31P DNP-ssNMR spectra exhibited a sufficient signal-to-noise ratio to quantify the distribution of molecular orientations in amorphous films: the P=O axis of the vacuum-deposited and drop-cast POPy2 shows anisotropic and isotropic distribution, respectively. The different molecular orientations reflect the molecular origin of the different charge transport behaviors. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Light-dependent magnetic compass orientation in amphibians and insects: candidate receptors and candidate molecular mechanisms

    PubMed Central

    Phillips, John B.; Jorge, Paulo E.; Muheim, Rachel

    2010-01-01

    Magnetic compass orientation by amphibians, and some insects, is mediated by a light-dependent magnetoreception mechanism. Cryptochrome photopigments, best known for their role in circadian rhythms, are proposed to mediate such responses. In this paper, we explore light-dependent properties of magnetic sensing at three levels: (i) behavioural (wavelength-dependent effects of light on magnetic compass orientation), (ii) physiological (photoreceptors/photopigment systems with properties suggesting a role in magnetoreception), and (iii) molecular (cryptochrome-based and non-cryptochrome-based signalling pathways that are compatible with behavioural responses). Our goal is to identify photoreceptors and signalling pathways that are likely to play a specialized role in magnetoreception in order to definitively answer the question of whether the effects of light on magnetic compass orientation are mediated by a light-dependent magnetoreception mechanism, or instead are due to input from a non-light-dependent (e.g. magnetite-based) magnetoreception mechanism that secondarily interacts with other light-dependent processes. PMID:20124357

  3. Light-dependent magnetic compass orientation in amphibians and insects: candidate receptors and candidate molecular mechanisms.

    PubMed

    Phillips, John B; Jorge, Paulo E; Muheim, Rachel

    2010-04-06

    Magnetic compass orientation by amphibians, and some insects, is mediated by a light-dependent magnetoreception mechanism. Cryptochrome photopigments, best known for their role in circadian rhythms, are proposed to mediate such responses. In this paper, we explore light-dependent properties of magnetic sensing at three levels: (i) behavioural (wavelength-dependent effects of light on magnetic compass orientation), (ii) physiological (photoreceptors/photopigment systems with properties suggesting a role in magnetoreception), and (iii) molecular (cryptochrome-based and non-cryptochrome-based signalling pathways that are compatible with behavioural responses). Our goal is to identify photoreceptors and signalling pathways that are likely to play a specialized role in magnetoreception in order to definitively answer the question of whether the effects of light on magnetic compass orientation are mediated by a light-dependent magnetoreception mechanism, or instead are due to input from a non-light-dependent (e.g. magnetite-based) magnetoreception mechanism that secondarily interacts with other light-dependent processes.

  4. Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement.

    PubMed

    Dahms, Sven O; Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E

    2013-02-01

    Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradecabromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome.

  5. Bistable molecular orientation of a fluorene derivative with an intramolecular charge transfer in a poly(methyl methacrylate) host

    NASA Astrophysics Data System (ADS)

    Apostoluk, Aleksandra; Nunzi, Jean-Michel; Perepichka, Igor F.

    2006-04-01

    The orientation of bistable molecules incorporated in a polymer host is addressed and studied by means of all-optical poling. Molecular reorientation between two stable molecular forms is assigned as the origin of the optically induced second-order nonlinear optical susceptibility. We found a new non-photochromic photo-induced reaction scheme by which efficient all-optical poling is achieved.

  6. Impact of interfacial molecular orientation on radiative recombination and charge generation efficiency

    DOE PAGES

    Ran, Niva A.; Roland, Steffen; Love, John A.; ...

    2017-07-19

    Here, a long standing question in organic electronics concerns the effects of molecular orientation at donor/acceptor heterojunctions. Given a well-controlled donor/acceptor bilayer system, we uncover the genuine effects of molecular orientation on charge generation and recombination. These effects are studied through the point of view of photovoltaics—however, the results have important implications on the operation of all optoelectronic devices with donor/acceptor interfaces, such as light emitting diodes and photodetectors. Our findings can be summarized by two points. First, devices with donor molecules face-on to the acceptor interface have a higher charge transfer state energy and less non-radiative recombination, resulting inmore » larger open-circuit voltages and higher radiative efficiencies. Second, devices with donor molecules edge-on to the acceptor interface are more efficient at charge generation, attributed to smaller electronic coupling between the charge transfer states and the ground state, and lower activation energy for charge generation.« less

  7. Optical birefringence and molecular orientation of crazed fibres utilizing the phase shifting interferometric technique

    NASA Astrophysics Data System (ADS)

    Sokkar, T. Z. N.; El-Farahaty, K. A.; El-Bakary, M. A.; Omar, E. Z.; Hamza, A. A.

    2017-09-01

    In this article, the features of the phase shifting interferometric technique were utilized to investigate the effect of the presence of crazes in both outer and inner layers on optical birefringence and molecular orientation of polypropylene fibres. The Pluta polarizing interference microscope was used as a phase shifting technique. This method includes adding a stepper motor with a control unit to the micrometer screw of the Pluta microscope. This optical system was calibrated to be used as a phase shifting interferometric technique. The advantage of this technique is that it can detect the crazes in both inner and outer layers of the sample under test. Via this method, the relation between the presence of the crazes (in both inner and outer layers) and the optical molecular orientation of polypropylene (PP) fibres was demonstrated. To clarify the role of this method, the spatial carrier frequency technique was used to show the effect of the presence of the crazes only in the outer layers on the phase distribution values and hence the structural properties of PP fibres.

  8. Large-scale fabrication of vertically aligned ZnO nanowire arrays

    DOEpatents

    Wang, Zhong L; Das, Suman; Xu, Sheng; Yuan, Dajun; Guo, Rui; Wei, Yaguang; Wu, Wenzhuo

    2013-02-05

    In a method for growing a nanowire array, a photoresist layer is placed onto a nanowire growth layer configured for growing nanowires therefrom. The photoresist layer is exposed to a coherent light interference pattern that includes periodically alternately spaced dark bands and light bands along a first orientation. The photoresist layer exposed to the coherent light interference pattern along a second orientation, transverse to the first orientation. The photoresist layer developed so as to remove photoresist from areas corresponding to areas of intersection of the dark bands of the interference pattern along the first orientation and the dark bands of the interference pattern along the second orientation, thereby leaving an ordered array of holes passing through the photoresist layer. The photoresist layer and the nanowire growth layer are placed into a nanowire growth environment, thereby growing nanowires from the nanowire growth layer through the array of holes.

  9. The role of molecular dipole orientation in single-molecule fluorescence microscopy and implications for super-resolution imaging.

    PubMed

    Backlund, Mikael P; Lew, Matthew D; Backer, Adam S; Sahl, Steffen J; Moerner, W E

    2014-03-17

    Numerous methods for determining the orientation of single-molecule transition dipole moments from microscopic images of the molecular fluorescence have been developed in recent years. At the same time, techniques that rely on nanometer-level accuracy in the determination of molecular position, such as single-molecule super-resolution imaging, have proven immensely successful in their ability to access unprecedented levels of detail and resolution previously hidden by the optical diffraction limit. However, the level of accuracy in the determination of position is threatened by insufficient treatment of molecular orientation. Here we review a number of methods for measuring molecular orientation using fluorescence microscopy, focusing on approaches that are most compatible with position estimation and single-molecule super-resolution imaging. We highlight recent methods based on quadrated pupil imaging and on double-helix point spread function microscopy and apply them to the study of fluorophore mobility on immunolabeled microtubules.

  10. Studies of molecular monolayers at air-liquid interfaces by second harmonic generation: question of orientational phase transition

    SciTech Connect

    Rasing, T.; Shen, Y.R.; Kim, M.W.; Grubb, S.; Bock, J.

    1985-06-01

    Insoluble molecular monolayers at gas-liquid interfaces provide an insight to the understanding of surfactants, wetting, microemulsions and membrane structures and offer a possibility to study the rich world of 2-dimensional phase transitions. In the interpretation of the observed properties of these systems various assumptions about the molecular orientation are often made, but so far few clear experimental data exist. In this paper we will show how optical second harmonic generation (SHG) can be used to measure the molecular orientation of monolayers of surfactant molecules at water-air interfaces. By simultaneously measuring the surface pressure versus surface molecular area we can show for the first time that the observed liquid condensed-liquid expanded transition is an orientational phase transition. 7 refs., 4 figs.

  11. Molecular dynamics simulations of shock waves in oriented nitromethane single crystals.

    PubMed

    He, Lan; Sewell, Thomas D; Thompson, Donald L

    2011-03-28

    The structural relaxation of crystalline nitromethane initially at T = 200 K subjected to moderate (~15 GPa) supported shocks on the (100), (010), and (001) crystal planes has been studied using microcanonical molecular dynamics with the nonreactive Sorescu-Rice-Thompson force field [D. C. Sorescu, B. M. Rice, and D. L. Thompson, J. Phys. Chem. B 104, 8406 (2000)]. The responses to the shocks were determined by monitoring the mass density, the intermolecular, intramolecular, and total temperatures (average kinetic energies), the partitioning of total kinetic energy among Cartesian directions, the radial distribution functions for directions perpendicular to those of shock propagation, the mean-square displacements in directions perpendicular to those of shock propagation, and the time dependence of molecular rotational relaxation as a function of time. The results show that the mechanical response of crystalline nitromethane strongly depends on the orientation of the shock wave. Shocks propagating along [100] and [001] result in translational disordering in some crystal planes but not in others, a phenomenon that we refer to as plane-specific disordering; whereas for [010] the shock-induced stresses are relieved by a complicated structural rearrangement that leads to a paracrystalline structure. The plane-specific translational disordering is more complete by the end of the simulations (~6 ps) for shock propagation along [001] than along [100]. Transient excitation of the intermolecular degrees of freedom occurs in the immediate vicinity of the shock front for all three orientations; the effect is most pronounced for the [010] shock. In all three cases excitation of molecular vibrations occurs more slowly than the intermolecular excitation. The intermolecular and intramolecular temperatures are nearly equal by the end of the simulations, with 400-500 K of net shock heating. Results for two-dimensional mean-square molecular center-of-mass displacements, calculated

  12. Molecular dynamics simulations of shock waves in oriented nitromethane single crystals

    NASA Astrophysics Data System (ADS)

    He, Lan; Sewell, Thomas D.; Thompson, Donald L.

    2011-03-01

    The structural relaxation of crystalline nitromethane initially at T = 200 K subjected to moderate (˜15 GPa) supported shocks on the (100), (010), and (001) crystal planes has been studied using microcanonical molecular dynamics with the nonreactive Sorescu-Rice-Thompson force field [D. C. Sorescu, B. M. Rice, and D. L. Thompson, J. Phys. Chem. B 104, 8406 (2000)]. The responses to the shocks were determined by monitoring the mass density, the intermolecular, intramolecular, and total temperatures (average kinetic energies), the partitioning of total kinetic energy among Cartesian directions, the radial distribution functions for directions perpendicular to those of shock propagation, the mean-square displacements in directions perpendicular to those of shock propagation, and the time dependence of molecular rotational relaxation as a function of time. The results show that the mechanical response of crystalline nitromethane strongly depends on the orientation of the shock wave. Shocks propagating along [100] and [001] result in translational disordering in some crystal planes but not in others, a phenomenon that we refer to as plane-specific disordering; whereas for [010] the shock-induced stresses are relieved by a complicated structural rearrangement that leads to a paracrystalline structure. The plane-specific translational disordering is more complete by the end of the simulations (˜6 ps) for shock propagation along [001] than along [100]. Transient excitation of the intermolecular degrees of freedom occurs in the immediate vicinity of the shock front for all three orientations; the effect is most pronounced for the [010] shock. In all three cases excitation of molecular vibrations occurs more slowly than the intermolecular excitation. The intermolecular and intramolecular temperatures are nearly equal by the end of the simulations, with 400-500 K of net shock heating. Results for two-dimensional mean-square molecular center-of-mass displacements, calculated

  13. Optical and electrical properties of Mg-doped AlN nanowires grown by molecular beam epitaxy

    SciTech Connect

    Connie, Ashfiqua Tahseen; Zhao, Songrui; Sadaf, Sharif Md.; Shih, Ishiang; Mi, Zetian; Du, Xiaozhang; Lin, Jingyu; Jiang, Hongxing

    2015-05-25

    In this paper, the optical and electrical properties of Mg-doped AlN nanowires are discussed. At room temperature, with the increase of Mg-doping concentration, the Mg-acceptor energy level related optical transition can be clearly measured, which is separated about 0.6 eV from the band-edge transition, consistent with the Mg activation energy in AlN. The electrical conduction measurements indicate an activation energy of 23 meV at 300 K–450 K temperature range, which is significantly smaller than the Mg-ionization energy in AlN, suggesting the p-type conduction being mostly related to hopping conduction. The free hole concentration of AlN:Mg nanowires is estimated to be on the order of 10{sup 16 }cm{sup −3}, or higher.

  14. Nanowire Lasers

    NASA Astrophysics Data System (ADS)

    Couteau, C.; Larrue, A.; Wilhelm, C.; Soci, C.

    2015-05-01

    We review principles and trends in the use of semiconductor nanowires as gain media for stimulated emission and lasing. Semiconductor nanowires have recently been widely studied for use in integrated optoelectronic devices, such as light-emitting diodes (LEDs), solar cells, and transistors. Intensive research has also been conducted in the use of nanowires for subwavelength laser systems that take advantage of their quasione- dimensional (1D) nature, flexibility in material choice and combination, and intrinsic optoelectronic properties. First, we provide an overview on using quasi-1D nanowire systems to realize subwavelength lasers with efficient, directional, and low-threshold emission. We then describe the state of the art for nanowire lasers in terms of materials, geometry, andwavelength tunability.Next,we present the basics of lasing in semiconductor nanowires, define the key parameters for stimulated emission, and introduce the properties of nanowires. We then review advanced nanowire laser designs from the literature. Finally, we present interesting perspectives for low-threshold nanoscale light sources and optical interconnects. We intend to illustrate the potential of nanolasers inmany applications, such as nanophotonic devices that integrate electronics and photonics for next-generation optoelectronic devices. For instance, these building blocks for nanoscale photonics can be used for data storage and biomedical applications when coupled to on-chip characterization tools. These nanoscale monochromatic laser light sources promise breakthroughs in nanophotonics, as they can operate at room temperature, can potentially be electrically driven, and can yield a better understanding of intrinsic nanomaterial properties and surface-state effects in lowdimensional semiconductor systems.

  15. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation.

    PubMed

    Opitz, Andreas

    2017-04-05

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  16. ESR study of molecular orientation and dynamics of TEMPO derivatives in CLPOT 1D nanochannels.

    PubMed

    Kobayashi, Hirokazu; Furuhashi, Yuta; Nakagawa, Haruka; Asaji, Tetsuo

    2016-08-01

    The molecular orientations and dynamics of 2,2,6,6-tetramethyl-1-piperidinyloxyl (TEMPO) radical derivatives with large substituent groups at the 4-position (4-X-TEMPO) in the organic one-dimensional nanochannels within the nanosized molecular template 2,4,6-tris(4-chlorophenoxy)-1,3,5-triazine (CLPOT) were examined using ESR. The concentrations of guest radicals, including 4-methoxy-TEMPO (MeO-TEMPO) or 4-oxo-TEMPO (TEMPONE), in the CLPOT nanochannels in each inclusion compound (IC) were reduced by co-including 4-substituted-2,2,6,6-tetramethylpiperidine (4-R-TEMP) compounds at a ratio of 1 : 30-1 : 600. At higher temperatures, the guest radicals in each IC underwent anisotropic rotational diffusion in the CLPOT nanochannels. The rotational diffusion activation energy, Ea , associated with MeO-TEMPO or TEMPONE in the CLPOT nanochannels (6-7 kJ mol(-1) ), was independent of the size and type of substituent group and was similar to the Ea values obtained for TEMPO and 4- hydroxy-TEMPO (TEMPOL) in our previous study. However, in the case in which TEMP was used as a guest compound for dilution (spacer), the tilt of the rotational axis to the principal axis system of the g-tensor, and the rotational diffusion correlation time, τR , of each guest radical in the CLPOT nanochannels were different from the case with other 4-R-TEMP. These results indicate the possibility of controlling molecular orientation and dynamics of guest radicals in CLPOT ICs through the appropriate choice of spacer. Copyright © 2016 John Wiley & Sons, Ltd.

  17. Energy level alignment at planar organic heterojunctions: influence of contact doping and molecular orientation

    NASA Astrophysics Data System (ADS)

    Opitz, Andreas

    2017-04-01

    Planar organic heterojunctions are widely used in photovoltaic cells, light-emitting diodes, and bilayer field-effect transistors. The energy level alignment in the devices plays an important role in obtaining the aspired gap arrangement. Additionally, the π-orbital overlap between the involved molecules defines e.g. the charge-separation efficiency in solar cells due to charge-transfer effects. To account for both aspects, direct/inverse photoemission spectroscopy and near edge x-ray absorption fine structure spectroscopy were used to determine the energy level landscape and the molecular orientation at prototypical planar organic heterojunctions. The combined experimental approach results in a comprehensive model for the electronic and morphological characteristics of the interface between the two investigated molecular semiconductors. Following an introduction on heterojunctions used in devices and on energy levels of organic materials, the energy level alignment of planar organic heterojunctions will be discussed. The observed energy landscape is always determined by the individual arrangement between the energy levels of the molecules and the work function of the electrode. This might result in contact doping due to Fermi level pinning at the electrode for donor/acceptor heterojunctions, which also improves the solar cell efficiency. This pinning behaviour can be observed across an unpinned interlayer and results in charge accumulation at the donor/acceptor interface, depending on the transport levels of the respective organic semiconductors. Moreover, molecular orientation will affect the energy levels because of the anisotropy in ionisation energy and electron affinity and is influenced by the structural compatibility of the involved molecules at the heterojunction. High structural compatibility leads to π-orbital stacking between different molecules at a heterojunction, which is of additional interest for photovoltaic active interfaces and for ground

  18. Semiconductor nanowires: Controlled growth and thermal properties

    NASA Astrophysics Data System (ADS)

    Wu, Yiying

    This dissertation presents an experimental study of the controlled growth of semiconductor nanowires and their thermophysical properties. The synthesis of nanowires was based on the well-known Vapor-Liquid-Solid (VLS) mechanism in which the growth of nanowire is initiated by a nanosized liquid droplet. The prepared nanowires are single-crystalline with certain preferred growth direction. Nanowires with different compositions have been synthesized, including Si, Ge, boron and MgB2. The control of nanowire composition, diameter and orientation has also been achieved. In addition, a Pulsed Laser Ablation-Chemical Vapor Deposition (PLA-CVD) hybrid process was developed to synthesize Si/SiGe longitudinally superlattice nanowires. The thermal conductivity of individual pure Si nanowire and Si/SiGe nanowire was measured using a microfabricated suspended device over a temperature range of 20--320 K. The thermal conductivities of individual 22, 37, 56, and 115 nm diameter single crystalline intrinsic Si nanowires were much lower than the bulk value due to the strong phonon boundary scattering. Except for the 22 nm diameter nanowire, theoretical predictions using a modified Callaway model fit the experimental data very well. The data for the 22 nm diameter wire suggest that changes in phonon dispersion due to confinement can cause additional thermal conductivity reduction. The Si/SiGe superlattice nanowires with diameters of 83 run and 58 nm were also measured. Their thermal conductivities are smaller than pure Si nanowire with similar diameter, as well as Si/SiGe superlattice thin film with comparable period. Both the alloying scattering and the boundary scattering are believed to contribute to this reduction. Size dependent melting-recrystallization study of the carbon-sheathed semiconductor Ge nanowires was carried out in in-situ high temperature transmission electron microscope (TEM). Significant depression in melting temperature with decreasing size of the nanowires as

  19. Electrical characterization of HgTe nanowires using conductive atomic force microscopy

    SciTech Connect

    Gundersen, P.; Kongshaug, K. O.; Selvig, E.; Haakenaasen, R.

    2010-12-01

    Self-organized HgTe nanowires grown by molecular beam epitaxy (MBE) have been characterized using conductive atomic force microscopy. As HgTe will degrade or evaporate at normal baking temperatures for electron beam lithography (EBL) resists, an alternative method was developed. Using low temperature optical lithography processes, large Au contacts were deposited on a sample covered with randomly oriented, lateral HgTe nanowires. Nanowires partly covered by the large electrodes were identified with a scanning electron microscope and then localized in the atomic force microscope (AFM). The conductive tip of the AFM was then used as a movable electrode to measure current-voltage curves at several locations on HgTe nanowires. The measurements revealed that polycrystalline nanowires had diffusive electron transport, with resistivities two orders of magnitude larger than that of an MBE-grown HgTe film. The difference can be explained by scattering at the rough surface walls and at the grain boundaries in the wires. The method can be a solution when EBL is not available or requires too high temperature, or when measurements at several positions along a wire are required.

  20. Spontaneously grown GaN and AlGaN nanowires

    NASA Astrophysics Data System (ADS)

    Bertness, K. A.; Roshko, A.; Sanford, N. A.; Barker, J. M.; Davydov, A. V.

    2006-01-01

    We have identified crystal growth conditions in gas-source molecular beam epitaxy (MBE) that lead to spontaneous formation of GaN nanowires with high aspect ratio on Si (1 1 1) substrates. The nanowires were oriented along the GaN c-axis and normal to the substrate surface. Unlike in many other reports of GaN nanowire growth, no metal catalysts were used. Low growth rates at substrate temperatures near 820 °C were combined with high nitrogen flux (partially dissociated with RF plasma excitation) to form well-separated GaN wires with diameters from 50 to 250 nm in diameter and lengths ranging from 2 to 7 μm. The nanowires grew out of an irregular matrix layer containing deep faceted holes. X-ray diffraction indicated that the wires were fully relaxed and aligned to the silicon substrate. The growth morphology was strongly affected by the presence of Al and Be. The changes suggest that surface diffusion is a primary driving force in the growth of GaN nanowires with MBE.

  1. Unoccupied electronic structure and molecular orientation of rubrene; from evaporated films to single crystals

    NASA Astrophysics Data System (ADS)

    Ueba, T.; Park, J.; Terawaki, R.; Watanabe, Y.; Yamada, T.; Munakata, T.

    2016-07-01

    Two-photon photoemission (2PPE) spectroscopy and ultraviolet photoemission spectroscopy (UPS) have been performed for rubrene single crystals and evaporated thin films on highly oriented pyrolytic graphite (HOPG). The changes in the 2PPE intensity from the single crystals by the polarization of the light and by the angle of the light incident plane against the crystalline axes indicate that the molecular arrangement on the surface is similar to that in the bulk crystal. On the other hand, in the case of evaporated films, the polarization dependence of 2PPE indicates that the tetracene backbone becomes standing upright as the thickness increases. In spite of the alignment of molecules, the broadened 2PPE spectral features for thick films suggest that the films are amorphous and molecules are in largely different environments. The film structures are confirmed by scanning tunneling microscopy (STM). The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) derived levels of the single crystal are shifted by + 0.18 and - 0.20 eV, respectively, from those of the 0.8 ML film. The shifts are attributed to the packing density of molecules. It is shown that the unoccupied electronic structure is more sensitively affected by the film structure than the occupied electronic structure.

  2. Molecular organization, localization and orientation of antifungal antibiotic amphotericin B in a single lipid bilayer

    PubMed Central

    Grudzinski, Wojciech; Sagan, Joanna; Welc, Renata; Luchowski, Rafal; Gruszecki, Wieslaw I.

    2016-01-01

    Amphotericin B is a popular antifungal antibiotic, a gold standard in treatment of systemic mycotic infections, due to its high effectiveness. On the other hand, applicability of the drug is limited by its considerable toxicity to patients. Biomembranes are a primary target of physiological activity of amphotericin B and both the pharmacologically desired and toxic side effects of the drug relay on its molecular organization in the lipid phase. In the present work, molecular organization, localization and orientation of amphotericin B, in a single lipid bilayer system, was analysed simultaneously, thanks to application of a confocal fluorescence lifetime imaging microscopy of giant unilamellar vesicles. The results show that the presence of sterols, in the lipid phase, promotes formation of supramolecular structures of amphotericin B and their penetration into the membrane hydrophobic core. The fact that such an effect is substantially less pronounced in the case of cholesterol than ergosterol, the sterol of fungal membranes, provides molecular insight into the selectivity of the drug. PMID:27620838

  3. Molecular orientation of copper phthalocyanine thin films on different monolayers of fullerene on SiO{sub 2} or highly oriented pyrolytic graphite

    SciTech Connect

    Wang, Chenggong; Wang, Congcong; Liu, Xiaoliang; Xu, Xumei; Li, Youzhen; Xie, Fangyan; Gao, Yongli

    2015-03-23

    The interface electronic structures of copper phthalocyanine (CuPc) have been studied using ultraviolet photoemission spectroscopy as different monolayers of C{sub 60} were inserted between CuPc and a SiO{sub 2} or highly ordered pyrolytic graphite (HOPG) substrate. The results show that CuPc has standing up configuration with one monolayer of C{sub 60} insertion on SiO{sub 2} while lying down on HOPG, indicating that the insertion layer propagates the CuPc-substrate interaction. Meanwhile, CuPc on more than one monolayers of C{sub 60} on different substrates show that the substrate orientation effect quickly vanished. Our study elucidates intriguing molecular interactions that manipulate molecular orientation and donor-acceptor energy level alignment.

  4. Growth and photoluminescence of self-catalyzed GaP/GaNP core/shell nanowires on Si(111) by gas source molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kuang, Y. J.; Sukrittanon, S.; Li, H.; Tu, C. W.

    2012-01-01

    We report a study on self-catalyzed GaP/GaNP core/shell nanowires (NWs) grown on Si(111) by gas-source molecular beam epitaxy. Scanning electron microscopy images show that vertical and uniform GaP NWs and GaP/GaNP core/shell NWs are grown on Si(111). The density ranges from ˜1 × 107 to ˜5 × 108 cm-2 across the substrate. Typical diameters are ˜110 nm for GaP NWs and ˜220 nm for GaP/GaNP NWs. Room temperature photoluminescence (PL) signal from the GaP/GaNP core/shell NWs confirms that N is incorporated in the shell and the average N content is ˜0.9%. The PL low-energy tail is significantly reduced, compared to bulk GaNP.

  5. Absence of vapor-liquid-solid growth during molecular beam epitaxy of self-induced InAs nanowires on Si

    NASA Astrophysics Data System (ADS)

    Hertenberger, S.; Rudolph, D.; Bolte, S.; Döblinger, M.; Bichler, M.; Spirkoska, D.; Finley, J. J.; Abstreiter, G.; Koblmüller, G.

    2011-03-01

    The growth mechanism of self-induced InAs nanowires (NWs) grown on Si (111) by molecular beam epitaxy was investigated by in situ reflection high energy electron diffraction and ex situ scanning and transmission electron microscopy. Abrupt morphology transition and in-plane strain relaxation revealed that InAs NWs nucleate without any significant delay and under the absence of indium (In) droplets. These findings are independent of the As/In-flux ratio, revealing entirely linear vertical growth rate and nontapered NWs. No evidence of In droplets nor associated change in the NW apex morphology was observed for various growth termination procedures. These results highlight the absence of vapor-liquid-solid growth, providing substantial benefits for realization of atomically abrupt doping and composition profiles in future axial InAs-based NW heterostructures on Si.

  6. Molecular beam epitaxy growth of GaAs/InAs core-shell nanowires and fabrication of InAs nanotubes.

    PubMed

    Rieger, Torsten; Luysberg, Martina; Schäpers, Thomas; Grützmacher, Detlev; Lepsa, Mihail Ion

    2012-11-14

    We present results about the growth of GaAs/InAs core-shell nanowires (NWs) using molecular beam epitaxy. The core is grown via the Ga droplet-assisted growth mechanism. For a homogeneous growth of the InAs shell, the As(4) flux and substrate temperature are critical. The shell growth starts with InAs islands along the NW core, which increase in time and merge giving finally a continuous and smooth layer. At the top of the NWs, a small part of the core is free of InAs indicating a crystal phase selective growth. This allows a precise measurement of the shell thickness and the fabrication of InAs nanotubes by selective etching. The strain relaxation in the shell occurs mainly via the formation of misfit dislocations and saturates at ~80%. Additionally, other types of defects are observed, namely stacking faults transferred from the core or formed in the shell, and threading dislocations.

  7. Photoluminescence and photocurrent from InP nanowires with InAsP quantum dots grown on Si by molecular beam epitaxy.

    PubMed

    Kuyanov, P; LaPierre, R R

    2015-08-07

    InP nanowires with InAsP quantum dots (QDs) were grown by molecular beam epitaxy on a Si (111) substrates. The structure of the InAsP QDs were studied using transmission electron microscopy, allowing the development of a model where QD growth occurs by group V desorption from the surrounding substrate surface. Micro-photoluminescence was performed at 10 K showing emission at 1.47-1.49 eV from the InP wurtzite structure, and various emission peaks between 0.93 and 1.33 eV attributed to the QDs. The emission was tuned by the QD composition. The effectiveness of an AlInP passivation shell was demonstrated via an improvement in the photoluminescence intensity. Spectrally-resolved photocurrent measurements at room temperature demonstrated infrared response due to absorption within the QDs. The absorption red-shifted with increasing As composition of the QD.

  8. Optical properties and carrier dynamics of GaAs/GaInAs multiple-quantum-well shell grown on GaAs nanowire by molecular beam epitaxy

    SciTech Connect

    Park, Kwangwook; Ravindran, Sooraj; Ju, Gun Wu; Min, Jung-Wook; Kang, Seokjin; Myoung, NoSoung; Yim, Sang-Youp; Jo, Yong-Ryun; Kim, Bong-Joong; Lee, Yong Tak

    2016-12-01

    GaAs/GaInAs multiple-quantum-well (MQW) shells having different GaInAs shell width formed on the surface of self-catalyzed GaAs core nanowires (NWs) are grown on (100) Si substrate using molecular beam epitaxy. The photoluminescence emission from GaAs/GaInAs MQW shells and the carrier lifetime could be varied by changing the width of GaInAs shell. Time-resolved photoluminescence measurements showed that the carrier lifetime had a fast and slow decay owing to the mixing of wurtzite and zinc-blende structures of the NWs. Furthermore, strain relaxation caused the carrier lifetime to decrease beyond a certain thickness of GaInAs quantum well shells.

  9. Enhanced catalyst-free nucleation of GaN nanowires on amorphous Al{sub 2}O{sub 3} by plasma-assisted molecular beam epitaxy

    SciTech Connect

    Sobanska, Marta Klosek, Kamil; Borysiuk, Jolanta; Kret, Slawomir; Tchutchulasvili, Giorgi; Gieraltowska, Sylwia; Zytkiewicz, Zbigniew R.

    2014-01-28

    We report on plasma-assisted molecular beam epitaxial growth of GaN nanowires (NWs) on Si(111) substrates with a thin amorphous Al{sub 2}O{sub 3} buffer layer deposited by atomic layer deposition. Comparison of nucleation kinetics shows that presence of amorphous Al{sub 2}O{sub 3} buffer significantly enhances spontaneous nucleation of GaN NWs. Slower nucleation was observed on partially amorphous silicon nitride films. No growth of NWs was found on sapphire substrate under the same growth conditions which we explain by a low density of defects on monocrystalline substrate surface where NWs may nucleate. Our finding shows that tuning of substrate microstructure is an efficient tool to control rate of self-induced nucleation of GaN NWs.

  10. Micro-FTIR study of molecular orientation at crack tip in nylon 6/clay nanocomposite: insight into fracture mechanism.

    PubMed

    Xu, Wenfei; Lv, Ruihua; Na, Bing; Tian, Nana; Li, Zhujun; Fu, Qiang

    2009-07-23

    A study on the mechanism for the degraded toughness in nylon 6/clay nanocomposite is explored in this article. Such a nanocomposite exhibits lower specific essential work of fracture we and specific nonessential work of fracture betawp than its pure nylon 6 counterpart, as revealed by essential work of fracture (EWF) measurements. Furthermore, the molecular orientation in a small region (20x20 microm2) ahead of crack tip, obtained from micro-FTIR measurements for the first time, is found to be lower in the nanocomposite during crack initiation and propagation. The decreased molecular orientation, mostly resulted from severe microvoiding at crack tips, is responsible for the reduced specific essential work of fracture we. Meanwhile, the molecular orientation around crack tip also indicates that lower plastic deformation occurs in the plastic zone, which is well correlated with decreased specific nonessential work of fracture betawp in the nanocomposite.

  11. Enhanced Raman scattering at dielectric surfaces. 2. Molecular orientations from polarized surface Raman scattering

    SciTech Connect

    Walls, D.J.; Bohn, P.W. )

    1990-03-08

    The ability to obtain polarized Raman scattering for monolayer adsorbates deposited on oxide covered noble-metal island film structures has been closely examined. The relationship of the relative intensities of the in-plane enhanced electric field components to the depolarization ratios of the totally symmetric Raman vibrational modes of p-nitrobenzoic acid and phthalazine was found to indicate a constant depolarization of the in-plane electric field components induced by the island film particles themselves. With this information and with polarized Raman scattering information from nontotally symmetric phthalazine vibrations, we report a quantitative determination of the average surface molecular orientation of phthalazine monolayers at sputtered SiO{sub 2} surfaces.

  12. Molecular parameters and olfaction in the oriental fruit fly Dacus dorsalis

    PubMed Central

    Metcalf, Robert L.; Metcalf, Esther R.; Mitchell, W. C.

    1981-01-01

    The methyl eugenol receptor of the male oriental fruit fly (Dacus dorsalis) has been further characterized by evaluating the role of the linear free energy parameters ∏ and σ in the depolarization of the receptor by 37 substituted 3,4-dimethoxybenzenes. There was a strong positive correlation between the hydrophobic character of the primary substituent and intense odor and a positive correlation between the electron donating property of the primary substituent and intense odor. Maximum odor intensity was also associated with substituents of 3 atomic diameters and was improved by a center of unsaturation. Preference tests suggest that this simple and versatile odor receptor can serve as a model for investigation of molecular interactions between receptors and odorant molecules. PMID:16593048

  13. HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales

    SciTech Connect

    Riccardi, Demian M.; Parks, Jerry M.; Johs, Alexander; Smith, Jeremy C.

    2015-03-20

    HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. We tested the core; it is well-documented and easy to install across computational platforms. Our goal for the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, an abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.

  14. HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales.

    PubMed

    Riccardi, Demian; Parks, Jerry M; Johs, Alexander; Smith, Jeremy C

    2015-04-27

    HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. The core is well-tested, well-documented, and easy to install across computational platforms. The goal of the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, an abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.

  15. HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales

    DOE PAGES

    Riccardi, Demian M.; Parks, Jerry M.; Johs, Alexander; ...

    2015-03-20

    HackaMol is an open source, object-oriented toolkit written in Modern Perl that organizes atoms within molecules and provides chemically intuitive attributes and methods. The library consists of two components: HackaMol, the core that contains classes for storing and manipulating molecular information, and HackaMol::X, the extensions that use the core. We tested the core; it is well-documented and easy to install across computational platforms. Our goal for the extensions is to provide a more flexible space for researchers to develop and share new methods. In this application note, we provide a description of the core classes and two extensions: HackaMol::X::Calculator, anmore » abstract calculator that uses code references to generalize interfaces with external programs, and HackaMol::X::Vina, a structured class that provides an interface with the AutoDock Vina docking program.« less

  16. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    SciTech Connect

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-08-08

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ∼100 meV even in the “half-vertical cavity surface emitting lasing” microcavity structure.

  17. Functionality in Electrospun Nanofibrous Membranes Based on Fiber's Size, Surface Area, and Molecular Orientation

    PubMed Central

    Matsumoto, Hidetoshi; Tanioka, Akihiko

    2011-01-01

    Electrospinning is a versatile method for forming continuous thin fibers based on an electrohydrodynamic process. This method has the following advantages: (i) the ability to produce thin fibers with diameters in the micrometer and nanometer ranges; (ii) one-step forming of the two- or three-dimensional nanofiber network assemblies (nanofibrous membranes); and (iii) applicability for a broad spectrum of molecules, such as synthetic and biological polymers and polymerless sol-gel systems. Electrospun nanofibrous membranes have received significant attention in terms of their practical applications. The major advantages of nanofibers or nanofibrous membranes are the functionalities based on their nanoscaled-size, highly specific surface area, and highly molecular orientation. These functionalities of the nanofibrous membranes can be controlled by their fiber diameter, surface chemistry and topology, and internal structure of the nanofibers. This report focuses on our studies and describes fundamental aspects and applications of electrospun nanofibrous membranes. PMID:24957735

  18. Lightweight object oriented structure analysis: tools for building tools to analyze molecular dynamics simulations.

    PubMed

    Romo, Tod D; Leioatts, Nicholas; Grossfield, Alan

    2014-12-15

    LOOS (Lightweight Object Oriented Structure-analysis) is a C++ library designed to facilitate making novel tools for analyzing molecular dynamics simulations by abstracting out the repetitive tasks, allowing developers to focus on the scientifically relevant part of the problem. LOOS supports input using the native file formats of most common biomolecular simulation packages, including CHARMM, NAMD, Amber, Tinker, and Gromacs. A dynamic atom selection language based on the C expression syntax is included and is easily accessible to the tool-writer. In addition, LOOS is bundled with over 140 prebuilt tools, including suites of tools for analyzing simulation convergence, three-dimensional histograms, and elastic network models. Through modern C++ design, LOOS is both simple to develop with (requiring knowledge of only four core classes and a few utility functions) and is easily extensible. A python interface to the core classes is also provided, further facilitating tool development.

  19. Molecular orientation sensitive second harmonic microscopy by radially and azimuthally polarized light

    PubMed Central

    Ehmke, Tobias; Nitzsche, Tim Heiko; Knebl, Andreas; Heisterkamp, Alexander

    2014-01-01

    We demonstrate the possibility to switch the z-polarization component of the illumination in the vicinity of the focus of high-NA objective lenses by applying radially and azimuthally polarized incident light. The influence of the field distribution on nonlinear effects was first investigated by the means of simulations. These were performed for high-NA objective lenses commonly used in nonlinear microscopy. Special attention is paid to the influence of the polarization of the incoming field. For linearly, circularly and radially polarized light a considerable polarization component in z-direction is generated by high NA focusing. Azimuthal polarization is an exceptional case: even for strong focusing no z-component arises. Furthermore, the influence of the input polarization on the intensity contributing to the nonlinear signal generation was computed. No distinct difference between comparable input polarization states was found for chosen thresholds of nonlinear signal generation. Differences in signal generation for radially and azimuthally polarized vortex beams were experimentally evaluated in native collagen tissue (porcine cornea). The findings are in good agreement with the theoretical predictions and display the possibility to probe the molecular orientation along the optical axis of samples with known nonlinear properties. The combination of simulations regarding the nonlinear response of materials and experiments with different sample orientations and present or non present z-polarization could help to increase the understanding of nonlinear signal formation in yet unstudied materials. PMID:25071961

  20. Molecular dynamics simulations of a hydrated protein vectorially oriented on polar and nonpolar soft surfaces.

    PubMed Central

    Nordgren, C E; Tobias, D J; Klein, M L; Blasie, J K

    2002-01-01

    We present a collection of molecular dynamics computer simulation studies on a model protein-membrane system, namely a cytochrome c monolayer attached to an organic self-assembled monolayer (SAM). Modifications of the system are explored, including the polarity of the SAM endgroups, the amount of water present for hydration, and the coordination number of the heme iron atom. Various structural parameters are measured, e.g., the protein radius of gyration and eccentricity, the deviation of the protein backbone from the x-ray crystal structure, the orientation of the protein relative to the SAM surface, and the profile structures of the SAM, protein, and water. The polar SAM appears to interact more strongly with the protein than does the nonpolar SAM. Increased hydration of the system tends to reduce the effects of other parameters. The choice of iron coordination model has a significant effect on the protein structure and the heme orientation. The overall protein structure is largely conserved, except at each end of the sequence and in one loop region. The SAM structure is only perturbed in the region of its direct contact with the protein. Our calculations are in reasonably good agreement with experimental measurements (polarized optical absorption/emission spectroscopy, x-ray interferometry, and neutron interferometry). PMID:12496067

  1. Single orientation graphene synthesized on iridium thin films grown by molecular beam epitaxy

    SciTech Connect

    Dangwal Pandey, A. Grånäs, E.; Shayduk, R.; Noei, H.; Vonk, V.; Krausert, K.; Franz, D.; Müller, P.; Keller, T. F.; Stierle, A.

    2016-08-21

    Heteroepitaxial iridium thin films were deposited on (0001) sapphire substrates by means of molecular beam epitaxy, and subsequently, one monolayer of graphene was synthesized by chemical vapor deposition. The influence of the growth parameters on the quality of the Ir films, as well as of graphene, was investigated systematically by means of low energy electron diffraction, x-ray reflectivity, x-ray diffraction, Auger electron spectroscopy, scanning electron microscopy, and atomic force microscopy. Our study reveals (111) oriented iridium films with high crystalline quality and extremely low surface roughness, on which the formation of large-area epitaxial graphene is achieved. The presence of defects, like dislocations, twins, and 30° rotated domains in the iridium films is also discussed. The coverage of graphene was found to be influenced by the presence of 30° rotated domains in the Ir films. Low iridium deposition rates suppress these rotated domains and an almost complete coverage of graphene was obtained. This synthesis route yields inexpensive, air-stable, and large-area graphene with a well-defined orientation, making it accessible to a wider community of researchers for numerous experiments or applications, including those which use destructive analysis techniques or irreversible processes. Moreover, this approach can be used to tune the structural quality of graphene, allowing a systematic study of the influence of defects in various processes like intercalation below graphene.

  2. Single orientation graphene synthesized on iridium thin films grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Dangwal Pandey, A.; Krausert, K.; Franz, D.; Grânäs, E.; Shayduk, R.; Müller, P.; Keller, T. F.; Noei, H.; Vonk, V.; Stierle, A.

    2016-08-01

    Heteroepitaxial iridium thin films were deposited on (0001) sapphire substrates by means of molecular beam epitaxy, and subsequently, one monolayer of graphene was synthesized by chemical vapor deposition. The influence of the growth parameters on the quality of the Ir films, as well as of graphene, was investigated systematically by means of low energy electron diffraction, x-ray reflectivity, x-ray diffraction, Auger electron spectroscopy, scanning electron microscopy, and atomic force microscopy. Our study reveals (111) oriented iridium films with high crystalline quality and extremely low surface roughness, on which the formation of large-area epitaxial graphene is achieved. The presence of defects, like dislocations, twins, and 30° rotated domains in the iridium films is also discussed. The coverage of graphene was found to be influenced by the presence of 30° rotated domains in the Ir films. Low iridium deposition rates suppress these rotated domains and an almost complete coverage of graphene was obtained. This synthesis route yields inexpensive, air-stable, and large-area graphene with a well-defined orientation, making it accessible to a wider community of researchers for numerous experiments or applications, including those which use destructive analysis techniques or irreversible processes. Moreover, this approach can be used to tune the structural quality of graphene, allowing a systematic study of the influence of defects in various processes like intercalation below graphene.

  3. Molecular orientation distributions during injection molding of liquid crystalline polymers: Ex situ investigation of partially filled moldings

    SciTech Connect

    Fang, Jun; Burghardt, Wesley R.; Bubeck, Robert A.

    2013-01-10

    The development of molecular orientation in thermotropic liquid crystalline polymers (TLCPs) during injection molding has been investigated using two-dimensional wide-angle X-ray scattering coordinated with numerical computations employing the Larson-Doi polydomain model. Orientation distributions were measured in 'short shot' moldings to characterize structural evolution prior to completion of mold filling, in both thin and thick rectangular plaques. Distinct orientation patterns are observed near the filling front. In particular, strong extension at the melt front results in nearly transverse molecular alignment. Far away from the flow front shear competes with extension to produce complex spatial distributions of orientation. The relative influence of shear is stronger in the thin plaque, producing orientation along the filling direction. Exploiting an analogy between the Larson-Doi model and a fiber orientation model, we test the ability of process simulation tools to predict TLCP orientation distributions during molding. Substantial discrepancies between model predictions and experimental measurements are found near the flow front in partially filled short shots, attributed to the limits of the Hele-Shaw approximation used in the computations. Much of the flow front effect is however 'washed out' by subsequent shear flow as mold filling progresses, leading to improved agreement between experiment and corresponding numerical predictions.

  4. Size dependence of melting of GaN nanowires with triangular cross sections

    SciTech Connect

    Wang, Zhiguo; Zu, Xiaotao; Gao, Fei; Weber, William J.

    2007-02-15

    Molecular dynamics simulations have been used to study the melting of GaN nanowires with triangular cross-sections. The curve of the potential energy, along with the atomic configuration is used to monitor the phase transition. The thermal stability of GaN nanowires is dependent on the size of the nanowires. The melting temperature of the GaN nanowires increases with the increasing of area cross-section of the nanowires to a saturation value. An interesting result is that of the nanowires start to melt from the edges, then the surface, and extends to the inner regions of nanowires as temperature increases.

  5. Orientation of organic molecules in a monolayer vis-à-vis their molecular orbitals and transport gap

    NASA Astrophysics Data System (ADS)

    Chakrabarti, Sudipto; Dey, Sukumar; Pal, Amlan J.

    2011-08-01

    We form a monolayer of magnetic organic molecules with its plane parallel or perpendicular to the substrate. The molecules in a monolayer are oriented with an external magnetic field followed by immobilization though an electrostatic binding. In this work, from scanning tunneling microscopy (STM) measurements, we show that conductivity, molecular orbitals, and transport gap of the molecules in a monolayer depend on its orientation. From measurements carried out with different tip-to-molecule distances, we observe that the STM tip also influences molecular orbitals and transport-gap of molecules.

  6. Electrically conductive and optically active porous silicon nanowires.

    PubMed

    Qu, Yongquan; Liao, Lei; Li, Yujing; Zhang, Hua; Huang, Yu; Duan, Xiangfeng

    2009-12-01

    We report the synthesis of vertical silicon nanowire array through a two-step metal-assisted chemical etching of highly doped n-type silicon (100) wafers in a solution of hydrofluoric acid and hydrogen peroxide. The morphology of the as-grown silicon nanowires is tunable from solid nonporous nanowires, nonporous/nanoporous core/shell nanowires, to entirely nanoporous nanowires by controlling the hydrogen peroxide concentration in the etching solution. The porous silicon nanowires retain the single crystalline structure and crystallographic orientation of the starting silicon wafer and are electrically conductive and optically active with visible photoluminescence. The combination of electronic and optical properties in the porous silicon nanowires may provide a platform for novel optoelectronic devices for energy harvesting, conversion, and biosensing.

  7. Propargyl Vinyl Ethers and Tertiary Skipped Diynes: Two Pluripotent Molecular Platforms for Diversity-Oriented Synthesis.

    PubMed

    Tejedor, David; López-Tosco, Sara; Méndez-Abt, Gabriela; Cotos, Leandro; García-Tellado, Fernando

    2016-04-19

    During the last years, we have been involved in the development of a diversity-oriented synthetic strategy aimed at transforming simple, linear, and densely functionalized molecular platforms into collections of topologically diverse scaffolds incorporating biologically relevant structural motifs such as N- and O- heterocycles, multifunctionalized aromatic rings, fused macrocycles, etc. The strategy merges the concepts of pluripotency (the property of an array of chemical functionalities to express different chemical outcomes under different chemical environments) and domino chemistry (chemistry based on processes involving two or more bond-forming transformations that take place while the initial reaction conditions are maintained, with the subsequent reaction resulting as a consequence of the functionality installed in the previous one) to transform common multifunctional substrates into complex and diverse molecular frameworks. This design concept constitutes the ethos of the so-called branching cascade strategy, a branch of diversity-oriented synthesis focused on scaffold diversity generation. Two pluripotent molecular platforms have been extensively studied under this merging (branching) paradigm: C4-O-C3 propargyl vinyl ethers (PVEs) and C7 tertiary skipped diynes (TSDs). These are conveniently constructed from simple and commercially available raw materials (alkyl propiolates, ketones, aldehydes, acid chlorides) through multicomponent manifolds (ABB' three-component reaction for PVEs; A2BB' four-component reaction for TSDs) or a simple two-step procedure (for PVEs). Their modular origin facilitates their structural/functional diversification without increasing the number of synthetic steps for their assembly. These two pluripotent molecular platforms accommodate a well-defined and dense array of through-bond/through-space interrelated functionalities on their structures, which defines their primary reactivity principles and establishes the reactivity profile

  8. Average orientation of a molecular rotor embedded in a Langmuir-Blodgett monolayer.

    PubMed

    Casher, Deborah L; Kobr, Lukáš; Michl, Josef

    2012-01-17

    A molecular rotor in which a naphthalene rotator is attached through a silicon atom to three fatty acid chains has been synthesized, and Langmuir-Blodgett techniques were used to deposit on silica surfaces monolayers of its calcium salt, both neat and diluted with stearic acid salts. The monolayer films have been characterized by ellipsometry and Fourier transform infrared (FT-IR) grazing-incidence attenuated total internal reflection (GATR) spectroscopy on Si-SiO(2) and by UV-vis absorption spectroscopy on SiO(2). The measurements were combined with calculations of the electronic (INDO/S) and vibrational (DFT) transition moment directions to deduce the average orientation of the rotor molecules, including the naphthalene ring, relative to the surface. In both neat and mixed films, the naphthalene ring is found to preferentially tilt toward the surface, enough that its rotation is most likely hindered. A comparable picture was obtained from molecular mechanics calculations on a mixed film of the naphthalene rotor and stearic acid. © 2011 American Chemical Society

  9. Molecular Insights into Aqueous NaCl Electrolytes Confined within Vertically-oriented Graphenes

    PubMed Central

    Bo, Zheng; Yang, Huachao; Zhang, Shuo; Yang, Jinyuan; Yan, Jianhua; Cen, Kefa

    2015-01-01

    Vertically-oriented graphenes (VGs) are promising active materials for electric double layer capacitors (EDLCs) due to their unique morphological and structural features. This study, for the first time, reports the molecular dynamics (MD) simulations on aqueous NaCl electrolytes confined within VG channels with different surface charge densities and channel widths. Simulation results show that the accessibility of ions and the structure of EDLCs are determined by the ion type/size, surface charging, and VG channel width. For relatively narrow VG channels with the same width, the threshold charge density (to compensate the energy penalty for shedding hydration shell) and the dehydration rate of Cl− ions are larger than those of Na+ ions. To achieve the highest ion concentration coefficient, the effective VG channel width should be between the crystal and hydration diameters of the ions. The results are further quantified and elucidated by calculating the electrolyte density profiles. The molecular insights obtained in the current work are useful in guiding the design and fabrication of VGs for advancing their EDLC applications. PMID:26424365

  10. Preparation and optical properties of silver nanowires and silver-nanowire thin films.

    PubMed

    Luu, Quocanh N; Doorn, Joshua M; Berry, Mary T; Jiang, Chaoyang; Lin, Cuikun; May, P Stanley

    2011-04-01

    Silver nanowires and silver-nanowire thin films have attracted much attention due to their extensive applications in Surface-Enhanced Raman Scattering (SERS) and Surface-Enhanced Fluorescence (SEF). Thin films of silver nanowires within polyelectrolyte layers of poly(allylamine hydrochloride) (PAH) and poly(sodium 4-styrenesulfonate) (PSS) were fabricated by the Spin-Assisted Layer-by-Layer (SA-LbL) method. The surface coverage, thickness, and absorbance properties of the silver-nanowire films were controlled by the number of layers deposited. Both transverse and longitudinal surface plasmon (SP) modes of the silver-nanowires were observed in the absorbance spectra, as was evidence for nanowire interaction. Two-dimensional finite difference time-domain (2D FDTD) simulations predict that the maximum field enhancement occurs at the ends and cross-sectional edges of the wires for the longitudinal and transverse modes, respectively. Silver nanowires were synthesized by a facile, high-yield solvothermal approach, which can be easily manipulated to control the aspect ratio of the nanowires. The effects of polyvinylpyrrolidone (PVP) concentration and molecular weight on the growth of the silver nanowires, which are not documented in the original procedure, are discussed. It is shown that the growth mechanism for silver nanowires in the solvothermal synthesis is similar to that reported for the polyol synthesis.

  11. Highly Efficient SERS Nanowire/Ag Composites

    DTIC Science & Technology

    2007-01-01

    Ga2O3 nanowires was performed by the vapor- liquid-solid (VLS) growth in a tube furnace, using Si(100) and Si(111) substrates and a 20 nm Au film3. Ga...Rhodamine 6G/methanol and DNT/methanol dilutions. The Ga2O3 /Ag nanowire composite substrates are shown in Figure 1a. As can be seen, they consist of a...significant improvement over nanosphere-type SERS substrates. Conclusion: Randomly oriented Ga2O3 /Ag nanowire networks have been formed and we

  12. Molecular Aggregates in Stable Aqueous Three-Phase Surfactant Systems and Their use in Producing CdS Nanowires

    PubMed Central

    Dong, Renhao; Zhou, Liang; Wang, Dong; Hao, Jingcheng

    2013-01-01

    Aqueous three-phase surfactant systems (A3PS) are important, multicomponent, stable three-phase equilibria with coexisting forms in a common colloid solution, but have been largely ignored regarding further characterization and application. Mixing simple, commercially available, single-tailed anionic/nonionic or anionic/cationic surfactants in water can spontaneously produce stable A3PS with coexisting multiscale self-assembled structures including discs, lamellas, micelles and vesicles. As with conventional aqueous two-phase systems (A2PS), A3PS can be applied in partition and extraction processes. Here, the A3PS was also used as a mild media for one-step synthesis of multiscale CdS nanowires. Particularly, the A3PS does not change and simultaneously separates the CdS nanowires with the comparable size in one phase, which provides a facile strategy for collection of monodisperse nanomaterials. We expect that this present work can expand recognition of A3PS for use in theoretical and applied studies. PMID:23588712

  13. Molecular aggregates in stable aqueous three-phase surfactant systems and their use in producing CdS nanowires.

    PubMed

    Dong, Renhao; Zhou, Liang; Wang, Dong; Hao, Jingcheng

    2013-01-01

    Aqueous three-phase surfactant systems (A3PS) are important, multicomponent, stable three-phase equilibria with coexisting forms in a common colloid solution, but have been largely ignored regarding further characterization and application. Mixing simple, commercially available, single-tailed anionic/nonionic or anionic/cationic surfactants in water can spontaneously produce stable A3PS with coexisting multiscale self-assembled structures including discs, lamellas, micelles and vesicles. As with conventional aqueous two-phase systems (A2PS), A3PS can be applied in partition and extraction processes. Here, the A3PS was also used as a mild media for one-step synthesis of multiscale CdS nanowires. Particularly, the A3PS does not change and simultaneously separates the CdS nanowires with the comparable size in one phase, which provides a facile strategy for collection of monodisperse nanomaterials. We expect that this present work can expand recognition of A3PS for use in theoretical and applied studies.

  14. Bifunctional star-burst amorphous molecular materials for OLEDs: achieving highly efficient solid-state luminescence and carrier transport induced by spontaneous molecular orientation.

    PubMed

    Kim, Jun Yun; Yasuda, Takuma; Yang, Yu Seok; Adachi, Chihaya

    2013-05-21

    Bifunctional star-burst amorphous molecular materials displaying both efficient solid-state luminescence and high hole-transport properties are developed in this study. A high external electroluminescence quantum efficiency up to 5.9% is attained in OLEDs employing the developed amorphous materials. It is revealed that the spontaneous horizontal orientation of these light-emitting molecules in their molecular-condensed states leads to a remarkable enhancement of the electroluminescence efficiencies and carrier-transport properties.

  15. Homoepitaxial n-core: p-shell gallium nitride nanowires: HVPE overgrowth on MBE nanowires.

    PubMed

    Sanders, Aric; Blanchard, Paul; Bertness, Kris; Brubaker, Matthew; Dodson, Christopher; Harvey, Todd; Herrero, Andrew; Rourke, Devin; Schlager, John; Sanford, Norman; Chiaramonti, Ann N; Davydov, Albert; Motayed, Abhishek; Tsvetkov, Denis

    2011-11-18

    We present the homoepitaxial growth of p-type, magnesium doped gallium nitride shells by use of halide vapor phase epitaxy (HVPE) on n-type gallium nitride nanowires grown by plasma-assisted molecular beam epitaxy (MBE). Scanning electron microscopy shows clear dopant contrast between the core and shell of the nanowire. The growth of magnesium doped nanowire shells shows little or no effect on the lattice parameters of the underlying nanowires, as measured by x-ray diffraction (XRD). Photoluminescence measurements of the nanowires show the appearance of sub-bandgap features in the blue and the ultraviolet, indicating the presence of acceptors. Finally, electrical measurements confirm the presence of electrically active holes in the nanowires.

  16. Arrays of indefinitely long uniform nanowires and nanotubes

    NASA Astrophysics Data System (ADS)

    Yaman, Mecit; Khudiyev, Tural; Ozgur, Erol; Kanik, Mehmet; Aktas, Ozan; Ozgur, Ekin O.; Deniz, Hakan; Korkut, Enes; Bayindir, Mehmet

    2011-07-01

    Nanowires are arguably the most studied nanomaterial model to make functional devices and arrays. Although there is remarkable maturity in the chemical synthesis of complex nanowire structures, their integration and interfacing to macro systems with high yields and repeatability still require elaborate aligning, positioning and interfacing and post-synthesis techniques. Top-down fabrication methods for nanowire production, such as lithography and electrospinning, have not enjoyed comparable growth. Here we report a new thermal size-reduction process to produce well-ordered, globally oriented, indefinitely long nanowire and nanotube arrays with different materials. The new technique involves iterative co-drawing of hermetically sealed multimaterials in compatible polymer matrices similar to fibre drawing. Globally oriented, endlessly parallel, axially and radially uniform semiconducting and piezoelectric nanowire and nanotube arrays hundreds of metres long, with nanowire diameters less than 15 nm, are obtained. The resulting nanostructures are sealed inside a flexible substrate, facilitating the handling of and electrical contacting to the nanowires. Inexpensive, high-throughput, multimaterial nanowire arrays pave the way for applications including nanowire-based large-area flexible sensor platforms, phase-changememory, nanostructure-enhanced photovoltaics, semiconductor nanophotonics, dielectric metamaterials,linear and nonlinear photonics and nanowire-enabled high-performance composites.

  17. Epitaxial growth of aligned AlGalnN nanowires by metal-organic chemical vapor deposition

    DOEpatents

    Han, Jung; Su, Jie

    2008-08-05

    Highly ordered and aligned epitaxy of III-Nitride nanowires is demonstrated in this work. <1010> M-axis is identified as a preferential nanowire growth direction through a detailed study of GaN/AlN trunk/branch nanostructures by transmission electron microscopy. Crystallographic selectivity can be used to achieve spatial and orientational control of nanowire growth. Vertically aligned (Al)GaN nanowires are prepared on M-plane AlN substrates. Horizontally ordered nanowires, extending from the M-plane sidewalls of GaN hexagonal mesas or islands demonstrate new opportunities for self-aligned nanowire devices, interconnects, and networks.

  18. Laser direct writing of modulation-doped nanowire p/n junctions.

    PubMed

    Nam, Woongsik; Mitchell, James I; Xu, Xianfan

    2016-12-02

    We demonstrate a single-step, laser-based technique to fabricate axial modulation-doped silicon nanowires. Our method is based on laser-direct-write chemical vapor deposition and has the capability to fabricate nanowires as small as 60 nm, which is far below the diffraction limit of the laser wavelength of 395 nm, with precise control of nanowire position, length, and orientation. By switching dopant gases during nanowire writing, p-n junction nanowires are produced. The p-n junction nanowires are fabricated into multifinger devices with parallel metal contacts and electrically tested to demonstrate diode characteristics.

  19. Investigations on the mechanical behavior of nanowires with twin boundaries by atomistic simulations

    SciTech Connect

    Tian, Xia

    2015-03-10

    Atomistic simulations are used to study the deformation behavior of twinned Cu nanowires with a <111> growth orientation under tension. Due to the existence of the twin boundaries, the strength of the twinned nanowires is higher than that of the twin-free nanowire and the yielding stress of twinned nanowires is inversely proportional to the spacings of the twin boundaries. Moreover, The ductility of the twin-free nanowire is the highest of all and it grows with the increasing spacings of the twin boundaries for twinned nanowires. Besides, we find that the twin boundaries can be served as dislocation sources as well as the free surfaces and grain boundaries.

  20. Determination of 3D molecular orientation by concurrent polarization analysis of multiple Raman modes in broadband CARS spectroscopy

    PubMed Central

    2016-01-01

    A theoretical description is presented about a new analysis method to determine three-dimensional (3D) molecular orientation by concurrently analyzing multiple Raman polarization profiles. Conventional approaches to polarization Raman spectroscopy are based on single peaks, and their 2D-projected polarization profiles are limited in providing 3D orientational information. Our new method analyzes multiple Raman profiles acquired by a single polarization scanning measurement of broadband coherent anti-Stokes Raman scattering (BCARS). Because the analysis uses only dimensionless quantities, such as intensity ratios and phase difference between multiple profiles, the results are not affected by sample concentration and the system response function. We describe how to determine the 3D molecular orientation with the dimensionless observables by using two simplified model cases. In addition, we discuss the effect of orientational broadening on the polarization profiles in the two model cases. We find that in the presence of broadening we can still determine the mean 3D orientation angles and, furthermore, the degree of orientational broadening. PMID:26561197

  1. Bandgap measurements and the peculiar splitting of E2H phonon modes of InxAl1-xN nanowires grown by plasma assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Tangi, Malleswararao; Mishra, Pawan; Janjua, Bilal; Ng, Tien Khee; Anjum, Dalaver H.; Prabaswara, Aditya; Yang, Yang; Albadri, Abdulrahman M.; Alyamani, Ahmed Y.; El-Desouki, Munir M.; Ooi, Boon S.

    2016-07-01

    The dislocation free InxAl1-xN nanowires (NWs) are grown on Si(111) by nitrogen plasma assisted molecular beam epitaxy in the temperature regime of 490 °C-610 °C yielding In composition ranges over 0.50 ≤ x ≤ 0.17. We study the optical properties of these NWs by spectroscopic ellipsometry (SE), photoluminescence, and Raman spectroscopies since they possesses minimal strain with reduced defects comparative to the planar films. The optical bandgap measurements of InxAl1-xN NWs are demonstrated by SE where the absorption edges of the NW samples are evaluated irrespective of substrate transparency. A systematic Stoke shift of 0.04-0.27 eV with increasing x was observed when comparing the micro-photoluminescence spectra with the Tauc plot derived from SE. The micro-Raman spectra in the NWs with x = 0.5 showed two-mode behavior for A1(LO) phonons and single mode behavior for E2H phonons. As for x = 0.17, i.e., high Al content, we observed a peculiar E2H phonon mode splitting. Further, we observe composition dependent frequency shifts. The 77 to 600 K micro-Raman spectroscopy measurements show that both AlN- and InN-like modes of A1(LO) and E2H phonons in InxAl1-xN NWs are redshifted with increasing temperature, similar to that of the binary III group nitride semiconductors. These studies of the optical properties of the technologically important InxAl1-xN nanowires will path the way towards lasers and light-emitting diodes in the wavelength of the ultra-violet and visible range.

  2. Hydroxyl and water molecule orientations in trypsin: Comparison to molecular dynamics structures

    SciTech Connect

    McDowell, R.S.; Kossiakoff, A.A.

    1994-12-31

    A comparison is presented of experimentally observed hydroxyl and water hydrogens in trypsin determined from neutron density maps with the results of a 140ps molecular dynamics (MD) simulation. Experimental determination of hydrogen and deuterium atom positions in molecules as large as proteins is a unique capability of neutron diffraction. The comparison addresses the degree to which a standard force-field approach can adequately describe the local electrostatic and van der Waals forces that determine the orientations of these hydrogens. Neutron densities, derived from 2.1{Angstrom} D{sub 2}O-H{sub 2}O difference Fourier maps, provide a database of 27 well-ordered hydroxyl hydrogens. Most of the simulated hydroxyl orientations are within a standard deviation of the experimentally-observed positions, including several examples in which both the simulation and the neutron density indicate that a hydroxyl group is shifted from a {open_quote}standard{close_quote} rotamer. For the most highly ordered water molecules, the hydrogen distributions calculated from the trajectory were in good agreement with neutron density; simulated water molecules that displayed multiple hydrogen bonding networks had correspondingly broadened neutron density profiles. This comparison was facilitated by development of a method to construct a pseudo 2{Angstrom} density map based on the hydrogen atom distributions from the simulation. The degree of disorder of internal water molecules is shown to result primarily from the electrostatic environment surrounding that water molecule as opposed to the cavity size available to the molecule. A method is presented for comparing the discrete observations sampled in a dynamics trajectory with the time- averaged data obtained from X-ray or neutron diffraction studies. This method is particularly useful for statically-disordered water molecules, in which the average location assigned from a trajectory may represent a site of relatively low occupancy.

  3. Material for "Substrate temperature controls molecular orientation in two-component vapor- deposited glasses." Soft Matter, 2016, 12, 3265.

    DOE Data Explorer

    Jiang, Jing [Nanjing University; Walters, Diane M [University of Wisconsin-Madison; Zhou, Dongshan [Nanjing University; Ediger, Mark D [University of Wisconsin-Madison

    2016-08-18

    Data set for work presented in Jiang, J.; Walters, D. M.; Zhou, D.; Ediger, M. D. “Substrate Temperature Controls Molecular Orientation in Two -Component Vapor-deposited Glasses.” Soft Matt. 2016, 12, 3265. Includes all data presented in the manuscript as well as example raw data and analysis.

  4. Precise Identification of Graphene's Crystal Structures by Removable Nanowire Epitaxy.

    PubMed

    Kim, Jonghyeok; Lim, Kitaek; Lee, Yangjin; Kim, Jongin; Kim, Kihwan; Park, Jungwon; Kim, Kwanpyo; Lee, Won Chul

    2017-03-16

    Monitoring crystallographic orientations of graphene is important for the reliable generation of graphene-based nanostructures such as van der Waals heterostructures and graphene nanoribbons because their physical properties are dependent on crystal structures. However, facile and precise identification of graphene's crystallographic orientations is still challenging because the majority of current tools rely on complex atomic-scale imaging. Here, we present an identification method for the crystal orientations and grain boundaries of graphene using the directional alignment between epitaxially grown AuCN nanowires and the underlying graphene. Because the nanowires are visible in scanning electron microscopy, crystal orientations of graphene can be inspected with simple procedures. Kernel density estimation that we used in analyzing the nanowire directions enables precise measurement of graphene's crystal orientations. We also confirm that the imaged nanowires can be simply removed without degrading graphene's quality, thus showing that the present method can be practically used for measuring graphene's crystal structures.

  5. Effect of an arsenic flux on the molecular-beam epitaxy of self-catalytic (Ga,Mn)As nanowire crystals

    SciTech Connect

    Sibirev, N. V. Bouravleuv, A. D.; Trushkov, Yu. M.; Beznasyuk, D. V.; Samsonenko, Yu. B.; Cirlin, G. E.

    2013-10-15

    The effect of an arsenic flux on the growth rate of self-catalytic (Ga,Mn)As nanowire crystals is studied. It is shown that, at low arsenic fluxes, nanowire-crystal growth is limited by the crystallization rate of the material below the droplet. However, at high arsenic fluxes, the growth kinetics are controlled by gallium transport into the droplet. It is experimentally demonstrated that, at low arsenic fluxes, the dependence of the nanowire length on the nanowire diameter is a steadily increasing function adequately described by Givargizov-Chernov's model. At the same time, a steadily decreasing diffusion dependence is observed at high arsenic fluxes.

  6. Molecular orientation of asphaltenes and PAH model compounds in Langmuir-Blodgett films using sum frequency generation spectroscopy.

    PubMed

    Andrews, A Ballard; McClelland, Arthur; Korkeila, Oona; Demidov, Alexander; Krummel, Amber; Mullins, Oliver C; Chen, Zhan

    2011-05-17

    Asphaltenes are an important class of compounds in crude oil whose surface activity is important for establishing reservoir rock wettability which impacts reservoir drainage. While many phenomenological interfacial studies with crude oils and asphaltenes have been reported, there is very little known about the molecular level interactions between asphaltenes and mineral surfaces. In this study, we analyze Langmuir-Blodgett films of asphaltenes and related model compounds with sum frequency generation (SFG) vibrational spectroscopy. In SFG, the polarization of the input (vis, IR) and output (SFG) beams can be varied, which allows the orientation of different functional groups at the interface to be determined. SFG clearly indicates that asphaltene polycyclic aromatic hydrocarbons (PAHs) are highly oriented in the plane of the interface and that the peripheral alkanes are transverse to the interface. In contrast, model compounds with oxygen functionality have PAHs oriented transverse to the interface. Computational quantum chemistry is used to support corresponding band assignments, enabling robust determination of functional group orientations.

  7. Recent progress in patterned silicon nanowire arrays: fabrication, properties and applications.

    PubMed

    Zhang, Yan; Qiu, Teng; Zhang, Wenjun; Chu, Paul K

    2011-01-01

    Currently there is great interest in patterned silicon nanowire arrays and applications. The accurately controlled fabrication of patterned silicon nanowire arrays with the desirable axial crystallographic orientation using simpler and quicker ways is very desirable and of great importance to material synthesis and future nanoscale optoelectronic devices that employ silicon. The recent advances in manipulating patterned silicon nanowire arrays and patents are reviewed with a focus on the progress of nanowire fabrication and applications.

  8. Fabrication and magnetic properties of Ni nanowire arrays with ultrahigh axial squareness.

    PubMed

    Tian, F; Huang, Z P; Whitmore, L

    2012-06-28

    Poly- and single-crystalline Ni nanowire arrays showing ultrahigh axial squareness are fabricated by direct-current electrodeposition in pores of anodic aluminum oxide templates. High voltage is shown to be the key in order for Ni nanowires to have a (220) preferred orientation. 2-Dimensional nucleation theory is used to understand the growth of the nanowires. Based on the structure and growth analyses, the magnetic properties of different kinds of nanowires are explained.

  9. Absolute Molecular Orientation of Isopropanol at Ceria (100) Surfaces: Insight into Catalytic Selectivity from the Interfacial Structure

    DOE PAGES

    Doughty, Benjamin; Goverapet Srinivasan, Sriram; Bryantsev, Vyacheslav S.; ...

    2017-06-12

    The initial mechanistic steps underlying heterogeneous chemical catalysis can be described in a framework where the composition, structure, and orientation of molecules adsorbed to reactive interfaces are known. However, extracting this vital information is the limiting step in most cases due in part to challenges in probing the interfacial monolayer with enough chemical specificity to characterize the surface molecular constituents. These challenges are exacerbated at complex or spatially heterogeneous interfaces where competing processes and a distribution of local environments can uniquely drive chemistry. To address these limitations, this work presents a distinctive combination of materials synthesis, surface specific optical experiments,more » and theory to probe and understand molecular structure at catalytic interfaces. Specifically, isopropanol was adsorbed to surfaces of the model CeO2 catalyst that were synthesized with only the (100) facet exposed. Vibrational sum-frequency generation was used to probe the molecular monolayer, and with the guidance of density functional theory calculations, was used to extract the structure and absolute molecular orientation of isopropanol at the CeO2 (100) surface. Our results show that isopropanol is readily deprotonated at the surface, and through the measured absolute molecular orientation of isopropanol, we obtain new insight into the selectivity of the (100) surface to form propylene. Our findings reveal key insight into the chemical and physical phenomena taking place at pristine interfaces thereby pointing to intuitive structural arguments to describe catalytic selectivity in more complex systems.« less

  10. In Situ Electrochemical Synthesis of Oriented and Defect-Free AEL Molecular-Sieve Films Using Ionic Liquids.

    PubMed

    Yu, Tongwen; Chu, Wenling; Cai, Rui; Liu, Yanchun; Yang, Weishen

    2015-10-26

    Simply preparing oriented and defect-free molecular-sieve films have been a long-standing challenge both in academia and industry. Most of the early works focus on the careful and multiple controls of the seeds layer or synthesis conditions. Herein, we report a one-step in situ electrochemical ionothermal method that combines a controllable electric field with ionic liquids. We demonstrate that an in-plane oriented and defect-free AEL (one molecular-sieve framework type) molecular-sieve film was obtained using an Al electrode as the Al source. The excellent corrosion-resistant performance of the film makes this technology promising in multiple applications, such as anti-corrosion coatings. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  11. nMoldyn: a program package for a neutron scattering oriented analysis of molecular dynamics simulations.

    PubMed

    Róg, T; Murzyn, K; Hinsen, K; Kneller, G R

    2003-04-15

    We present a new implementation of the program nMoldyn, which has been developed for the computation and decomposition of neutron scattering intensities from Molecular Dynamics trajectories (Comp. Phys. Commun 1995, 91, 191-214). The new implementation extends the functionality of the original version, provides a much more convenient user interface (both graphical/interactive and batch), and can be used as a tool set for implementing new analysis modules. This was made possible by the use of a high-level language, Python, and of modern object-oriented programming techniques. The quantities that can be calculated by nMoldyn are the mean-square displacement, the velocity autocorrelation function as well as its Fourier transform (the density of states) and its memory function, the angular velocity autocorrelation function and its Fourier transform, the reorientational correlation function, and several functions specific to neutron scattering: the coherent and incoherent intermediate scattering functions with their Fourier transforms, the memory function of the coherent scattering function, and the elastic incoherent structure factor. The possibility to compute memory function is a new and powerful feature that allows to relate simulation results to theoretical studies. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 657-667, 2003

  12. Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

    DOE PAGES

    Almeida, S.; Chavez, J. J.; Zhou, X. W.; ...

    2016-02-10

    CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including View the MathML source[112¯] zinc blende (ZB), [101¯0] wurtzite (WZ), [112¯0] WZ, [110][110] ZB, [010][010] ZB, and View the MathML source[1101110] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [0001][0001] WZ and [111][111] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, andmore » polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [0001][0001] WZ direction and showed persistent polytypism. As a result, the polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.« less

  13. Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

    NASA Astrophysics Data System (ADS)

    Almeida, S.; Chavez, J. J.; Zhou, X. W.; Zubia, D.

    2016-05-01

    CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including [ 11 2 bar ] zinc blende (ZB), [ 10 1 bar 0 ] wurtzite (WZ), [ 11 2 bar 0 ] WZ, [ 110 ] ZB, [ 010 ] ZB, and [1/10 1 1/10] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [ 0001 ] WZ and [ 111 ] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, and polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [ 0001 ] WZ direction and showed persistent polytypism. The polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.

  14. Dipole moments and orientation polarizabilities of diatomic molecular ions for precision atomic mass measurement

    NASA Astrophysics Data System (ADS)

    Cheng, Michelle; Brown, John M.; Rosmus, Pavel; Linguerri, Roberto; Komiha, Najia; Myers, Edmund G.

    2007-01-01

    In high precision Penning trap mass spectrometry the cyclotron frequency of a polarizable ion is perturbed due to the Stark interaction with the motional electric field. For polar diatomic molecular ions, which have adjacent rotational levels of opposite parity, these shifts can be particularly large—especially for the lowest rotational levels, which are those occupied by ions stored for many hours in cryogenic Penning traps. In order to provide corrections to precision atomic mass measurements, we consider the calculation of orientation polarizabilities of CO+ and the positive ions of the first and second row diatomic hydrides, LiH+ to ArH+ . Dipole moments for these ions have been calculated using the restricted coupled cluster method with perturbative triples and large basis sets. Using these dipoles and an effective Hamiltonian, we have obtained rotational-state dependent polarizabilities of the open-shell diatomic ions CO+ , NH+ , OH+ , FH+ , PH+ , SH+ , and ClH+ . Results are given for those rotational levels that are significantly populated at 4.2K , for magnetic fields up to 10T . For the remaining first and second row hydride cations, polarizabilities at the magnetic fields of interest can be obtained from a simple formula valid for closed-shell molecules. Conversely, in cases where the polarizability shifts can be measured, our results enable experimental determination of dipole moments.

  15. Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

    SciTech Connect

    Almeida, S.; Chavez, J. J.; Zhou, X. W.; Zubia, D.

    2016-02-10

    CdS homoepitaxy growth was performed by molecular dynamics using different substrate orientations and structures in order to analyze the CdS crystallinity. As anticipated from thermodynamics of homoepitaxy, highly crystalline films with only point defects were obtained on substrates with rectangular surface geometries, including View the MathML source[112¯] zinc blende (ZB), [101¯0] wurtzite (WZ), [112¯0] WZ, [110][110] ZB, [010][010] ZB, and View the MathML source[1101110] ZB. In contrast, films grown on substrates with hexagonal surface geometries, corresponding to the [0001][0001] WZ and [111][111] ZB growth directions, showed structures with a large number of defects including; anti-sites, vacancies, stacking faults, twinning, and polytypism. WZ and ZB transitions and grain boundaries are identified using a lattice identification algorithm and represented graphically in a structural map. A dislocation analysis was performed to detect, identify, and quantify linear defects within the atomistic data. Systematic simulations using different temperatures, deposition rates, and substrate polarities were perform to analyze the trends of dislocation densities on [0001][0001] WZ direction and showed persistent polytypism. As a result, the polytypism observed in the films grown on the substrates with hexagonal surface geometry is attributed to the similar formation energies of the WZ and ZB phases.

  16. Determining Molecular Orientations in Disordered Materials from X-ray Linear Dichroism at the Iodine L1-Edge.

    PubMed

    Palmer, Benjamin A; Collins, Stephen P; Hulliger, Jürg; Hughes, Colan E; Harris, Kenneth D M

    2016-12-21

    To demonstrate that measurements of X-ray linear dichroism are effective for determining bond orientations in disordered materials, we report the first observation of X-ray linear dichroism at the iodine L1-edge. The iodine-containing molecular solid studied in this work was the inclusion compound containing 4,4'-diiodobiphenyl guest molecules in the perhydrotriphenylene host structure. In this material, the guest substructure does not exhibit three-dimensional ordering, and thus diffraction-based techniques do not provide insights on the orientational properties of the guest molecules. Iodine L1-edge X-ray absorption spectra, recorded as a function of orientation of a single crystal of the material, exhibit significant dichroism (whereas no dichroism is observed at the iodine L2- and L3-edges). From quantitative analysis of the X-ray dichroism, the orientational properties of the C-I bonds within this material are established. The results pave the way for applying X-ray dichroism to determine molecular orientational properties of other materials, especially for partially ordered materials such as liquid crystals, confined liquids, and disordered crystalline phases, for which diffraction techniques may not be applicable.

  17. Role of liquid indium in the structural purity of wurtzite InAs nanowires that grow on Si(111).

    PubMed

    Biermanns, Andreas; Dimakis, Emmanouil; Davydok, Anton; Sasaki, Takuo; Geelhaar, Lutz; Takahasi, Masamitu; Pietsch, Ullrich

    2014-12-10

    InAs nanowires that grow catalyst-free along the [111] crystallographic orientation are prone to wurtzite-zincblende polytypism, making the control of the crystal phase highly challenging. In this work, we explore the dynamic relation between the growth conditions and the structural composition of the nanowires using time-resolved X-ray scattering and diffraction measurements during the growth by molecular beam epitaxy. A spontaneous buildup of liquid indium is directly observed in the beginning of the growth process and associated with the simultaneous nucleation of InAs nanowires predominantly in the wurtzite phase. The highly arsenic-rich growth conditions that we used limited the existence of the liquid indium to a short time interval, which is defined as the nucleation phase. After their nucleation, the nanowires grow in the absence of liquid indium, and with a highly defective wurtzite structure. Complementary ex-situ diffuse X-ray scattering measurements and modeling revealed that this structural degradation is due to the formation of densely spaced stacking faults. Thus, high wurtzite phase purity is associated with the presence of liquid indium. This finding implies that pure wurtzite nanowires may be obtained only if the growth is performed under the continuous presence of liquid indium at the growth interface, that is, in the vapor-liquid-solid mode.

  18. Photoelectrochemistry of Semiconductor Nanowire Arrays

    SciTech Connect

    Mallouk, Thomas E; Redwing, Joan M

    2009-11-10

    This project supported research on the growth and photoelectrochemical characterization of semiconductor nanowire arrays, and on the development of catalytic materials for visible light water splitting to produce hydrogen and oxygen. Silicon nanowires were grown in the pores of anodic aluminum oxide films by the vapor-liquid-solid technique and were characterized electrochemically. Because adventitious doping from the membrane led to high dark currents, silicon nanowire arrays were then grown on silicon substrates. The dependence of the dark current and photovoltage on preparation techniques, wire diameter, and defect density was studied for both p-silicon and p-indium phosphide nanowire arrays. The open circuit photovoltage of liquid junction cells increased with increasing wire diameter, reaching 350 mV for micron-diameter silicon wires. Liquid junction and radial p-n junction solar cells were fabricated from silicon nano- and microwire arrays and tested. Iridium oxide cluster catalysts stabilized by bidentate malonate and succinate ligands were also made and studied for the water oxidation reaction. Highlights of this project included the first papers on silicon and indium phosphide nanowire solar cells, and a new procedure for making ligand-stabilized water oxidation catalysts that can be covalently linked to molecular photosensitizers or electrode surfaces.

  19. Nonequilibrium molecular dynamics simulation study on the orientation transition in the amphiphilic lamellar phase under shear flow.

    PubMed

    Guo, Hongxia

    2006-12-07

    By the extensive large-scale nonequilibrium molecular dynamics simulation on an effective generic model-A2B2 tetramer for amphiphiles, we investigate the shear-induced parallel to perpendicular orientation transition in the lamellar phase as a function of segregation degree and shear rate. Under low rate shear flow the evolution of parallel lamellar configurations at different segregation strengths shows a similar kinetic pathway independent of the segregation degree. While under high rate shear flow in which the lifetime of undulation instability exceeds the characteristic time of the applied shear flow, the kinetic pathway of the shear-induced parallel-to-perpendicular orientation transition in lamellar systems is the segregation degree dependent. Comparing the temporal mesoscopic domain morphology, the microscopic chain conformation, and macroscopic observable-viscosity changes with the experimentally proposed mechanisms, we find that the undulation instability, partial breakup of monodomain, grain rotation, and recombination combined with defect migration and annihilation are the kinetic pathway for the parallel-to-perpendicular orientation transition in the lamellar phase in or near the intermediate segregation limit, and that the undulation instability, domain dissolution, and reformation along the preferred direction combined with defect migration and annihilation are the kinetic pathway for the parallel-to-perpendicular orientation transition in the lamellar phase close to the order-to-disorder phase transition point. A detailed underlying microscopic picture of the alignment process illustrates that the orientation transition is driven by the alignment of molecules with shear flow. The orientation diagram that characterizes the steady-state orientations as a function of shear rate and attractive potential depth is built, in which the attractive potential depth takes the role of an inverse temperature, somewhat like the Flory-Huggins interaction parameter

  20. Monitoring the formation of nanowires by line-of-sight quadrupole mass spectrometry: a comprehensive description of the temporal evolution of GaN nanowire ensembles.

    PubMed

    Fernández-Garrido, Sergio; Zettler, Johannes K; Geelhaar, Lutz; Brandt, Oliver

    2015-03-11

    We use line-of-sight quadrupole mass spectrometry to monitor the spontaneous formation of GaN nanowires on Si during molecular beam epitaxy. We find that the temporal evolution of nanowire ensembles is well described by a double logistic function. The analysis of the temporal evolution of nanowire ensembles, prepared under a wide variety of growth conditions, allows us to construct a growth diagram that can be used to predict the average delay time that precedes nanowire formation.