Science.gov

Sample records for oriented molecular nanowires

  1. 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.

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

    DOE PAGESBeta

    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, companionmore » molecular dynamics performed with the embedded atom method are in agreement with our experimental data.« less

  3. 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

    2016-03-01

    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. PMID:26837494

  4. 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.

  5. Oriented Mn-doped CuO nanowire arrays.

    PubMed

    Han, Dongqiang; Wu, Zhaofeng; Wang, Zhihe; Yang, Shaoguang

    2016-04-01

    Using anodic aluminum oxide membranes as the nanoreactors and controller, oriented nanowire arrays of the diluted magnetic semiconductor Mn-doped CuO have been successfully fabricated using Mn(NO3)2 · 4H2O and Cu(NO3)2 · 3H2O as the starting materials. X-ray diffraction measurements showed that the as-prepared oriented nanowire arrays are of high purity. Scanning electron microscope and transmission electron microscope studies showed the nanowires are oriented, continuous and uniform with a diameter and length of about 170 nm and several tens of micrometers, respectively, and thus of a high aspect ratio. Low-temperature magnetic measurements showed the ferromagnetic property of the oriented Mn-doped CuO nanowire arrays with the critical temperature at around 80 K, which will endow them with great potential applications in spintronics in the future. PMID:26895391

  6. Oriented Mn-doped CuO nanowire arrays

    NASA Astrophysics Data System (ADS)

    Han, Dongqiang; Wu, Zhaofeng; Wang, Zhihe; Yang, Shaoguang

    2016-04-01

    Using anodic aluminum oxide membranes as the nanoreactors and controller, oriented nanowire arrays of the diluted magnetic semiconductor Mn-doped CuO have been successfully fabricated using Mn(NO3)2 · 4H2O and Cu(NO3)2 · 3H2O as the starting materials. X-ray diffraction measurements showed that the as-prepared oriented nanowire arrays are of high purity. Scanning electron microscope and transmission electron microscope studies showed the nanowires are oriented, continuous and uniform with a diameter and length of about 170 nm and several tens of micrometers, respectively, and thus of a high aspect ratio. Low-temperature magnetic measurements showed the ferromagnetic property of the oriented Mn-doped CuO nanowire arrays with the critical temperature at around 80 K, which will endow them with great potential applications in spintronics in the future.

  7. 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

  8. Strong Surface Orientation Dependent Thermal Transport in Si Nanowires.

    PubMed

    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

  9. Metallic oriented nanowires films for infrared radiation manipulation

    NASA Astrophysics Data System (ADS)

    Larciprete, Maria Cristina; Centini, Marco; Voti, Roberto Li; Bertolotti, Mario; Sibilia, Concita

    2016-04-01

    We developed a numerical method to model the infrared spectral properties of metal nanowires on a flat substrate. Homogenization techniques and the transfer matrix method for birefringent layered materials are merged together so as to obtain a simple but effective tool for tailoring and optimizing the infrared properties of the resulting system. Different in-plane orientations can be investigated, ranging from randomly to perfectly aligned nanowires. Furthermore, the model allows the introduction of an off-plane tilt of the nanowires axes, thus increasing designing options. Possible applications such as broad band infrared polarizers, polarizing beam splitter and polarization rotators are discussed.

  10. 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.

  11. 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. PMID:24483568

  12. Fragment oriented molecular shapes.

    PubMed

    Hain, Ethan; Camacho, Carlos J; Koes, David Ryan

    2016-05-01

    Molecular shape is an important concept in drug design and virtual screening. Shape similarity typically uses either alignment methods, which dynamically optimize molecular poses with respect to the query molecular shape, or feature vector methods, which are computationally less demanding but less accurate. The computational cost of alignment can be reduced by pre-aligning shapes, as is done with the Volumetric-Aligned Molecular Shapes (VAMS) method. Here, we introduce and evaluate fragment oriented molecular shapes (FOMS), where shapes are aligned based on molecular fragments. FOMS enables the use of shape constraints, a novel method for precisely specifying molecular shape queries that provides the ability to perform partial shape matching and supports search algorithms that function on an interactive time scale. When evaluated using the challenging Maximum Unbiased Validation dataset, shape constraints were able to extract significantly enriched subsets of compounds for the majority of targets, and FOMS matched or exceeded the performance of both VAMS and an optimizing alignment method of shape similarity search. PMID:27085751

  13. Orientation and temperature dependence of the tensile behavior of GaN nanowires: an atomistic study

    SciTech Connect

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

    2008-09-01

    Gallium nitride (GaN) is a high-temperature semiconductor material of considerable interest. It emits brilliant light and has been considered as a key material for the next generation of high frequency and high power transistors that are capable of operating at high temperatures. Due to its anisotropic and polar nature, GaN exhibits direction-dependent properties. Growth directions along [001], [1-10] and [110] directions have all been synthesized experimentally. In this work, molecular dynamics simulations are carried out to characterize the mechanical properties of GaN nanowires with different orientations at different temperatures. The simulation results reveal that the nanowires with different growth orientations exhibit distinct deformation behavior under tensile loading. The nanowires exhibit ductility at high deformation temperatures and brittleness at lower temperature. The brittle to ductile transition (BDT) was observed in the nanowires grown along the [001] direction. The nanowires grown along the [110] direction slip in the {010} planes, whereas the nanowires grown along the [1-10] direction fracture in a cleavage manner under tensile loading.

  14. Controllable orientation of single silver nanowire using two fiber probes

    PubMed Central

    Xu, Xiaohao; Cheng, Chang; Xin, Hongbao; Lei, Hongxiang; Li, Baojun

    2014-01-01

    We report a strategy for realizing precise orientation of single silver nanowire using two fiber probes. By launching a laser of 980 nm wavelength into the two fibers, single silver nanowire with a diameter of 600 nm and a length of 6.5 μm suspended in water was trapped and rotated by optical torque resulting from its interaction with optical fields outputted from the fiber probes. Angular orientation of the nanowire was controlled by varying the relative distance between the two fiber probes. The angular stiffness, which refers to the stability of orientation, was estimated to be on the order of 10−19 J/rad2·mW. The experiments were interpreted by theoretical analysis. PMID:24496474

  15. Direct Assembly of Large Arrays of Oriented Conducting Polymer Nanowires

    SciTech Connect

    Liang, Liang; Liu, Jun; Windisch, Charles F.; Exarhos, Gregory J.; Lin, Yuehe

    2002-10-04

    Although oriented carbon nanotubes, oriented nanowires of metals, semiconductors and oxides have attracted wide attention, there have been few reports on oriented polymer nanostructures such as nanowires. In this paper we report the assembly of large arrays of oriented nanowires through controlled nucleation and growth during a stepwise electrochemical deposition process in which a large number of nuclei were first deposited on the substrate using a large current density. After the initial nucleation, the current density was reduced step by step to grow the oriented nanowires from the nucleation sites created in the first step. A very different morphology was also demonstrated by first depositing a monolayer of close-packed colloidal spheres using a similar step-wise deposition process. As a result, the polymer nanofibers grew from the spheres in a radial fashion and formed the continuous three-dimensional network of nanofibers in the film. The principles of control nucleation and growth in electrochemical deposition investigated in this paper should be applicable to other electrical conducting and electrochemical active materials, including metals and conducting oxides. We also hope the oriented electroactive polymer nanostructure will open the door for new applications, such as miniaturized biosensors.

  16. Effects of geometric structure, orientation and size on structural stability and thermal behavior of zinc oxide nanowires

    SciTech Connect

    Su, Chien-Chan; Chen, Jun-Liang

    2011-10-15

    Highlights: {yields} The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. {yields} The nanowire with a hexagonal cross section is more stable than that with other cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. {yields} The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. -- Abstract: The structural stability, orientation effect and melting characteristic of zinc oxide (ZnO) nanowires are simulated by using the molecular dynamics with many-body tightbinding potential. The structural stability is affected by the geometric shape of the cross section of a nanowire. The nanowire with a hexagonal cross section is more stable than that with another cross section type, namely, a rectangular, triangular, rhombohedral, octagonal, and circular cross section. The structural stability and melting temperature of a nanowire is sensitive to its diameter because of the surface energy and unfavorable coordination. Remarkably, it is observed that hexagonal ZnO nanowires transform to metastable circular-type structures at temperatures lower than the melting point.

  17. Photoacoustic Characterization of Randomly Oriented Silver Nanowire Films

    NASA Astrophysics Data System (ADS)

    Li Voti, R.; Leahu, G.; Larciprete, M. C.; Sibilia, C.; Bertolotti, M.; Nefedov, I.; Anoshkin, I. V.

    2015-06-01

    In this work, the photoacoustic characterization in the UV/Vis range of randomly oriented silver nanowire films deposited onto either a quartz or polymeric substrate is presented. This study was performed for a set of films differing in both metallic nanowire dimensions, as well as metal content. Samples were prepared starting from suspensions of Ag nanowires in isopropanol (IPA) , differing in both the length and diameter of the nanowires. The obtained films were characterized by scanning electron micrography (SEM) images; thus, the metal filling factor was retrieved with MATLAB software based on a visual method. Following the morphological characterization, both spectrophotometry and the photoacoustic spectroscopy (PAS) technique were employed to investigate in detail the absorbance spectra of silver nanowire films, in order to evidence their peculiar properties in the UV/Vis spectral range. Specifically, this photothermal technique is particularly useful to investigate a film that may exhibit relevant scattering phenomena, as for metallic nanowire films. The obtained experimental results show that the choice of the metal filling factor may affect the absorbance spectra of the resulting mesh.

  18. Oriented Growth of Pb1- x Snx Te Nanowire Arrays for Integration of Flexible Infrared Detectors.

    PubMed

    Wang, Qisheng; Li, Jie; Lei, Yin; Wen, Yao; Wang, Zhenxing; Zhan, Xueying; Wang, Feng; Wang, Fengmei; Huang, Yun; Xu, Kai; He, Jun

    2016-05-01

    Assembling nanowires into highly ordered arrays is crucial for developing integration circuits. Oriented growth of mid-infrared Pb1- x Snx Te nanowire arrays on bendable mica, extending the function of existing nanowire arrays, is reported. The flexible photodetectors of these nanowire arrays show a high photoresponsivity of 276 A W(-1) (at 800 nm), which is higher than many previously reported infrared nanosensors. PMID:26990637

  19. Ultrathin inorganic molecular nanowire based on polyoxometalates.

    PubMed

    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

  20. 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

  1. 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. PMID:27008537

  2. 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.

  3. 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.

  4. 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

  5. Relationship between orientation factor of lead zirconate titanate nanowires and dielectric permittivity of nanocomposites

    SciTech Connect

    Tang, Haixiong E-mail: hsodano@ufl.edu; Malakooti, Mohammad H.; Sodano, Henry A. E-mail: hsodano@ufl.edu

    2013-11-25

    The relationship between the orientation of lead zirconate titanate (PZT) nanowires dispersed in nanocomposites and the resulting dielectric constants are quantified. The orientation of the PZT nanowires embedded in a polymer matrix is controlled by varying the draw ratio and subsequently quantified using Herman's Orientation Factor. Consequently, it is demonstrated that the dielectric constants of nanocomposites are improved by increasing the orientation factor of the PZT nanowires. This technique is proposed to improve the dielectric constant of the nanocomposites without the need for additional filler volume fraction since the nanocomposites are utilized in a wide range of high dielectric permittivity electronic components.

  6. 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. PMID:27254592

  7. 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

    2016-06-01

    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. PMID:27168127

  8. 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

  9. 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). PMID:26418290

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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.

  11. Molecular dynamics simulation on the fabrication of graphene nanoscrolls with ferromagnetic nanowire templates

    NASA Astrophysics Data System (ADS)

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

    2015-08-01

    Graphene nanoscrolls (GNSs) have attracted more and more attention both in theory and experiments for their unique and excellent fundamental properties and the wide range of potential applications. In this paper, the fabrication of GNSs with different ferromagnetic nanowire (FNW) templates has been studied by molecular dynamics (MD) method. We have presented convincing explanations on the GNS formation mechanism and a thorough analysis about the differences between varying FNWs. Moreover, a distinctive deformation behavior in the Ni nanowire oriented in [0 0 1] axis direction was observed and deeply investigated. And the influence of nanowire lengths on the fabrication of GNS is also studied. Our theoretical results will provide researchers a powerful guide and helpful assistance in designing better targeted programs in experiments.

  12. 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.

  13. Relationship between planar GaAs nanowire growth direction and substrate orientation

    NASA Astrophysics Data System (ADS)

    Dowdy, Ryan S.; Walko, Donald A.; Li, Xiuling

    2013-01-01

    Planar GaAs nanowires are epitaxially grown on GaAs substrates of various orientations, via the Au-catalyzed vapor-liquid-solid mechanism using metal organic chemical vapor deposition. The nanowire geometry and growth direction are examined using scanning electron microscopy and x-ray microdiffraction. A hypothesis relating the planar nanowire growth direction to the surface projections of <111> B crystal directions is proposed. GaAs planar nanowire growth on vicinal substrates is performed to test this hypothesis. Good agreement between the experimental results and the projection model is found.

  14. Electrodepositing fabrication and microstructures of the Fe nanowires with a preferred orientation

    NASA Astrophysics Data System (ADS)

    Cui, Chunxiang; Yang, Wei; Sun, Jibing; Zhang, Qingjun

    2011-12-01

    Highly ordered Fe nanowire arrays with <1 1 0> preferred orientation were fabricated out successfully by direct current electrodepositing into the pores of a porous anodic aluminum oxide template. The formation mechanism of Fe nanowires was ascertained by X-ray diffraction and transmission electron microscopy. Low index surface energy of Fe nanowires was calculated by means of broken-bond model. For Fe nanowire arrays, its aspect ratio ( h/ d) of the "circular cylinder" is less than 0.75, the {1 1 0} planes have the lowest surface energy. And authors deal with a reasonable explanation for Fe nanowires growth along with <1 1 0> preferred orientation using the two-dimensional nucleation theory.

  15. Construction of Nanowire Heterojunctions: Photonic Function-Oriented Nanoarchitectonics.

    PubMed

    Li, Yong Jun; Yan, Yongli; Zhao, Yong Sheng; Yao, Jiannian

    2016-02-01

    Nanophotonics has received broad research interest because it may provide an alternative opportunity to overcome the fundamental limitations of electronic circuits. So far, diverse photonic functions, such as light generation, modulation, and detection, have been realized based on various nano-materials. The exact structural features of these material systems, including geometric characteristics, surface morphology, and material composition, play a key role in determining the photonic functions. Therefore, rational designs and constructions of materials on both morphological and componential levels, namely nanoarchitectonics, are indispensable for any photonic device with specific functionalities. Recently, a series of nanowire heterojunctions (NWHJs), which are usually made from two or more kinds of material compositions, were constructed for novel photonic applications based on various interactions between different materials at the junctions, for instance, energy transfer, exciton-plasmon coupling, or photon-plasmon coupling. A summary of these works is necessary to get a more comprehensive understanding of the relationship between photonic functions and architectonics of NWHJs, which will be instructive for designing novel photonic devices towards integrated circuits. Here, photonic function oriented nanoarchitectonics based on recent breakthroughs in nanophotonic devices are discussed, with emphasis on the design mechanisms, fabrication strategies, and excellent performances. PMID:26488887

  16. Nanowire Oriented On-Surface Growth of Chiral Cystine Crystalline Nanosheets.

    PubMed

    Zhang, Shenxiang; Zhang, Feng; Qin, Haili; Hu, Liang; Jin, Jian

    2015-08-18

    Exploration of an effective route to achieve the controlled growth of two-dimensional (2D) molecular crystal is of scientific significance yet greatly underdeveloped due to the complexity of weak intermolecular interactions, thus leading to difficulty of inducing anisotropic 2D growth. We report here a facile nanowire oriented on-surface growth strategy for the fabrication of cystine crystalline nanosheets with finely controlled thickness (1.1, 1.9, 2.9, and 4.8 nm which correspond to one layer, two layers, three layers, and five layers of crystal cystine, respectively) and large areas (>100 μm(2)). The cystine crystalline nanosheets display chirality delivered by chiral cysteine monomers, either l-cysteine or d-cysteine. The chiral nanosheets with structural precision and chemical diversity could serve as a novel 2D platform for constructing advanced hybrid materials. PMID:26203777

  17. 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. PMID:25019775

  18. 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.

  19. 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. PMID:27002386

  20. Synthesis, Characterization and Kinetics of Epitaxial-Oriented Silicon Nanowire Arrays on Si Substrates

    NASA Astrophysics Data System (ADS)

    Wang, Z. L.; Bao, J. K.; Wan, Y. T.; Xia, W. W.; Wang, Y. W.; Sha, J.

    The fabrication of vertical-oriented, high aspect ratio silicon nanowires (SiNWs) with controllable density and length is of interest for the development of nanowire-based electronics and photovoltaic devices. Here we reported a both simple and economical method for synthesizing large-area epitaxial-oriented SiNW arrays, which was achieved on the Si (111) substrates by Au catalyzed vapor-liquid-solid mechanism using the conventional chemical vapor deposition furnace system. Their morphologies and microstructures were investigated with scanning electron microscopy and transmission electron microscopy, respectively. The results showed that most of nanowires were vertically grown on substrates, their density and length can be well controlled. As-grown SiNW is composed of a single crystalline silicon core and a thin amorphous silicon oxide coating layer. Furthermore, their growth kinetics was discussed in detail. It indicates that there are both the substrate-nanowire Si adatom surface diffusion and the slight radial growth during the upgrowth of nanowire, and besides, the migration of Au on the sidewall of nanowire was also found for such epitaxial-oriental SiNWs.

  1. 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.

  2. 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

  3. 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.

  4. Indium-doped ZnO nanowires with infrequent growth orientation, rough surfaces and low-density surface traps

    PubMed Central

    2013-01-01

    Indium-doped ZnO nanowires have been prepared by vapor transport deposition. With increasing In content, the growth orientation of the nanowires switches from [101_0] to infrequent [022_3] and the surface becomes rough. No surface-related exciton emission is observed in these nanowires. The results indicate that large surface-to-volume ratio, high free electron concentration, and low density of surface traps can be achieved simultaneously in ZnO nanowires via In doping. These unique properties make In-doped ZnO nanowire a potential material for photocatalysis application, which is demonstrated by the enhanced photocatalytic degradation of Rhodamine B. PMID:24256997

  5. Mechanical properties of irradiated nanowires - A molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Figueroa, Emilio; Tramontina, Diego; Gutiérrez, Gonzalo; Bringa, Eduardo

    2015-12-01

    In this work we study, by means of molecular dynamics simulation, the change in the mechanical properties of a gold nanowire with pre-existing radiation damage. The gold nanowire is used as a simple model for a nanofoam, made of connected nanowires. Radiation damage by keV ions leads to the formation of a stacking fault tetrahedron (SFT), and this defect leads to a reduced plastic threshold, as expected, when the nanowire is subjected to tension. We quantify dislocation and twin density during the deformation, and find that the early activation of the SFT as a dislocation source leads to reduced dislocation densities compared to the case without radiation damage. In addition, we observed a total destruction of the SFT, as opposed to a recent simulation study where it was postulated that SFTs might act as self-generating dislocation sources. The flow stress at large deformation is also found to be slightly larger for the irradiated case, in agreement with recent experiments.

  6. Reduced thermal conductivity of a nanoparticle decorated nanowire: A non-equilibrium molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Masnoon, Ahmed Shafkat; Bipasha, Ferdaushi Alam; Morshed, A. K. M. M.

    2016-07-01

    The effect of nanoparticles decoration on the thermal conductivity of a nanowire is studied using Non Equilibrium Molecular Dynamics (NEMD) simulation. The simulation was conducted using simplified molecular model with Lennard-Jones potential. Argon-like solid was used as the material for both the nanowire and nanoparticles. Nanoparticles were placed on the surface of the nanowire and also embedded inside the structure. Non-equilibrium molecular dynamics simulation was conducted by imposing temperature gradient along the length of the nanowire and thermal conductivity of the nanowire was calculated. Nanowire without any nanoparticles was used as the baseline data. Due to presence of nanoparticles thermal conductivity of the nanowire was observed to decrease and up to 40% reduction in thermal conductivity was observed. With the increase in number of the nanoparticles, thermal conductivity was observed to decrease; however size of nanoparticles has little effect.

  7. An Ultralong, Highly Oriented Nickel-Nanowire-Array Electrode Scaffold for High-Performance Compressible Pseudocapacitors.

    PubMed

    Xu, Chao; Li, Ziheng; Yang, Cheng; Zou, Peichao; Xie, Binghe; Lin, Ziyin; Zhang, Zhexu; Li, Baohua; Kang, Feiyu; Wong, Ching-Ping

    2016-06-01

    Ultralong, highly oriented Ni nanowire arrays are used as the electrode scaffold to support metal-oxide- and conductive-polymer-based electrode materials with a high mass loading; the as-obtained asymmetric supercapacitor can be compressed by fourfold and exhibits superior energy and power densities with ultrahigh cycle stability. PMID:27062285

  8. Recent developments in nanowires for bio-applications from molecular to cellular levels.

    PubMed

    Rahong, Sakon; Yasui, Takao; Kaji, Noritada; Baba, Yoshinobu

    2016-04-01

    This review highlights the most promising applications of nanowires for bioanalytical chemistry and medical diagnostics. The materials discussed here are metal oxide and Si semiconductors, which are integrated with various microfluidic systems. Nanowire structures offer desirable advantages such as a very small diameter size with a high aspect ratio and a high surface-to-volume ratio without grain boundaries; consequently, nanowires are promising tools to study biological systems. This review starts with the integration of nanowire structures into microfluidic systems, followed by the discussion of the advantages of nanowire structures in the separation, manipulation and purification of biomolecules (DNA, RNA and proteins). Next, some representative nanowire devices are introduced for biosensors from molecular to cellular levels based on electrical and optical approaches. Finally, we conclude the review by highlighting some bio-applications for nanowires and presenting the next challenges that must be overcome to improve the capabilities of nanowire structures for biological and medical systems. PMID:26928289

  9. 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.

  10. 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.

  11. Donor wave functions delocalization in silicon nanowires: the peculiar [011] orientation.

    PubMed

    Petretto, Guido; Debernardi, Alberto; Fanciulli, Marco

    2013-10-01

    The localization of the donor electron wave function can be of key importance in various silicon applications, since for example it determines the interactions between neighboring donors. Interestingly, the physical confinement of the electrons in quasi-one-dimensional nanostructures, like silicon nanowires, noticeably affects this property. Using fully ab initio calculations, we show that the delocalization of the donor electron wave function along the axis of a nanowire is much greater in [011] oriented nanowires for phosphorus and selenium donors. We also demonstrate that its value can be controlled by applying a compressive or tensile uniaxial strain. Finally, we discuss the implications of these features from both an experimental and a theoretical point of view. PMID:23984940

  12. 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.

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

    PubMed

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

    2014-04-01

    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. PMID:24584438

  14. Gold nanowired: a linear (Au25)(n) polymer from Au25 molecular clusters.

    PubMed

    De Nardi, Marco; Antonello, Sabrina; Jiang, De-en; Pan, Fangfang; Rissanen, Kari; Ruzzi, Marco; Venzo, Alfonso; Zoleo, Alfonso; Maran, Flavio

    2014-08-26

    Au25(SR)18 has provided fundamental insights into the properties of clusters protected by monolayers of thiolated ligands (SR). Because of its ultrasmall core, 1 nm, Au25(SR)18 displays molecular behavior. We prepared a Au25 cluster capped by n-butanethiolates (SBu), obtained its structure by single-crystal X-ray crystallography, and studied its properties both experimentally and theoretically. Whereas in solution Au25(SBu)18(0) is a paramagnetic molecule, in the crystal it becomes a linear polymer of Au25 clusters connected via single Au-Au bonds and stabilized by proper orientation of clusters and interdigitation of ligands. At low temperature, [Au25(SBu)18(0)]n has a nonmagnetic ground state and can be described as a one-dimensional antiferromagnetic system. These findings provide a breakthrough into the properties and possible solid-state applications of molecular gold nanowires. PMID:25088331

  15. 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.

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

    SciTech Connect

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

    2013-08-12

    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.

  17. 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.

  18. 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.

  19. 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.

  20. Young's Modulus, Residual Stress, and Crystal Orientation of Doubly Clamped Silicon Nanowire Beams.

    PubMed

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

    2015-05-13

    Initial or residual stress plays an important role in nanoelectronics. Valley degeneracy in silicon nanowires (SiNWs) is partially lifted due to built-in stresses, and consequently, electron-phonon scattering rate is reduced and device mobility and performance are improved. In this study we use a nonlinear model describing the force-deflection relationship to extract the Young's modulus, the residual stress, and the crystallographic growth orientation of SiNW beams. Measurements were performed on suspended doubly clamped SiNWs subjected to atomic force microscopy (AFM) three-point bending constraints. The nanowires comprised different growth directions and two SiO2 sheath thicknesses, and underwent different rapid thermal annealing processes. Analysis showed that rapid thermal annealing introduces compressive strains into the SiNWs and may result in buckling of the SiNWs. Furthermore, the core-shell model together with the residual stress analysis accurately describe the Young's modulus of oxide covered SiNWs and the crystal orientation of the measured nanowires. PMID:25826449

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

    DOE PAGESBeta

    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 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

  2. 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.

  3. 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

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

    NASA Astrophysics Data System (ADS)

    Liao, Gaohua; Luo, Ning; Yang, Zhihu; Chen, Keqiu; Xu, H. Q.

    2015-09-01

    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

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

    DOE PAGESBeta

    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 ordermore » of magnitude increase in band-edge to yellow luminescence intensity ratio, as measured by cathodoluminescence, indicating improved microstructural and optical properties.« less

  6. 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.

  7. 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.

  8. [101̅0] oriented multichannel ZnO nanowire arrays with enhanced optoelectronic device performance.

    PubMed

    He, Dongqing; Sheng, Xia; Yang, Jie; Chen, Liping; Zhu, Kai; Feng, Xinjian

    2014-12-01

    Crystallographic orientation and microstructure of metal oxide nanomaterials have great impact on their properties and applications. Here, we report [101̅0] oriented ZnO nanowire (NW) arrays with a multichannel mesostructure. The NW has a preferential growth of low energy (101̅0) crystal plane and exhibits 2-3 orders of magnitude faster electron transport rate than that in nanoparticle (NP) films. Furthermore, the surface area of the as-prepared NW arrays is about 5 times larger than that of conventional NW arrays with similar thickness. These lead to the highest power conversion efficiency of ZnO NW array-based sensitized solar cells. We anticipate that the unique crystallographic orientation and mesostructure will endow ZnO NW arrays new properties and expand their application fields. PMID:25411922

  9. 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. PMID:26671780

  10. 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).

  11. Molecular Dynamics Study on the Distributed Plasticity of Penta-twinned Silver Nanowires

    NASA Astrophysics Data System (ADS)

    Lee, Sangryun; Ryu, Seunghwa

    2015-08-01

    The distributed plasticity of pentatwinned silver nanowires has been revealed in recent computational and experimental studies. However, the molecular dynamics (MD) simulations have not considered the imperfections seen in experiments, such as irregular surface undulations, the high aspect ratio of nanowires, and the stiffness of loading devices. In this work, we report the effect of such inherent imperfections on the distributed plasticity of penta-twinned silver nanowires in MD simulations. We find that the distributed plasticity occurs for nanowires having undulations that are less than 5% of the nanowire diameter. The elastic stress field induced by a stacking fault promotes the nucleation of successive stacking fault decahedrons (SFDs) at long distance, making it hard for necking to occur. By comparing the tensile simulation using the steered molecular dynamics (SMD) method with the tensile simulation with periodic boundary condition (PBC), we show that a sufficiently long nanowire must be used in the constant strain rate simulations with PBC, because the plastic displacement burst caused by the SFD formation induces compressive stress, promoting the removal of other SFDs. Our finding can serve as a guidance for the molecular dynamics simulation of crystalline materials with large plastic deformation, and in the design of mechanically reliable devices based on silver nanowires.

  12. 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. PMID:27458789

  13. 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.

  14. Helix-coiled gold nanowires for molecular sensing.

    PubMed

    Chae, Weon-Sik; Kim, Eun-Mee; Yu, Hyunung; Jeon, Seokwoo; Jung, Jin-Seung

    2012-04-01

    Helix-coiled gold nanowires were fabricated by a templating route using unique composite templates consisting of anodic aluminum oxide (AAO) nanotubular membrane and confined mesoporous silica therein. A different degree of confinement energy induces a different degree of helix curvature of confined porous silica nanochannels in an AAO, which works as a hard template for the electrochemical deposition of gold, thereby rationally enabling a different degree of helix curvature of gold nano-replicas. From surface-enhanced Raman scattering experiments, we first found that helix-coiled gold nanowires show more distinctly enhanced molecule sensing efficiency than those from simple smooth gold nanowires, and gold nanowires with the narrower lateral width show more enhanced molecule sensing efficiency than those of thicker width helix nanowires. PMID:22849155

  15. 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.

  16. 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.

  17. Silver as Seed-Particle Material for GaAs Nanowires--Dictating Crystal Phase and Growth Direction by Substrate Orientation.

    PubMed

    Lindberg, Caroline; Whiticar, Alexander; Dick, Kimberly A; Sköld, Niklas; Nygård, Jesper; Bolinsson, Jessica

    2016-04-13

    Here we investigate the feasibility of silver as seed-particle material to synthesize GaAs nanowires and show that both crystal phase and growth direction can be controlled by choice of substrate orientation. A (111)B substrate orientation can be used to form vertically aligned wurtzite GaAs nanowires and a (100) substrate orientation to form vertically aligned zinc blende GaAs nanowires. A 45-50% yield of vertical nanowire growth is achieved on the (100) substrate orientation without employing any type of surface modification or nucleation strategy to promote a vertical growth direction. In addition, photoluminescence measurements reveal that the photon emission from the silver seeded wurtzite GaAs nanowires is characterized by a single and narrow emission peak at 1.52 eV. PMID:26998550

  18. 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. PMID:27223050

  19. 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.

  20. Oriented assembled TiO2 hierarchical nanowire arrays with fast electron transport properties.

    PubMed

    Sheng, Xia; He, Dongqing; Yang, Jie; Zhu, Kai; Feng, Xinjian

    2014-01-01

    Developing high surface area nanostructured electrodes with rapid charge transport is essential for artificial photosynthesis, solar cells, photocatalysis, and energy storage devices. Substantial research efforts have been recently focused on building one-dimensional (1D) nanoblocks with fast charge transport into three-dimensional (3D) hierarchical architectures. However, except for the enlargement in surface area, there is little experimental evidence of fast electron transport in these 3D nanostructure-based solar cells. In this communication, we report single-crystal-like 3D TiO2 branched nanowire arrays consisting of 1D branch epitaxially grown from the primary trunk. These 3D branched nanoarrays not only demonstrate 71% enlargement in large surface area (compared with 1D nanowire arrays) but also exhibit fast charge transport property (comparable to that in 1D single crystal nanoarrays), leading to 52% improvement in solar conversion efficiency. The orientated 3D assembly strategy reported here can be extended to assemble other metal oxides with one or multiple components and thus represents a critical avenue toward high-performance optoelectronics. PMID:24628675

  1. Purely sonochemical route for oriented zinc oxide nanowire growth on arbitrary substrate

    NASA Astrophysics Data System (ADS)

    Nayak, Avinash P.; Katzenmeyer, Aaron M.; Kim, Ja-Yeon; Kwon, Min Ki; Gosho, Yasuhiro; Islam, M. Saif

    2010-04-01

    We report a simple sonochemical method for the seeding and synthesis of Zinc Oxide nanowire arrays that can be formed on a number of substrates that are stable in alcohol and aqueous solution. Vertically aligned ZnO NWs were synthesized from a single solution at room-ambient via ultrasonic excitation. Prior to the NW growth, a ZnO seed layer was deposited using the same system with a different solution. The optimal conditions to produce a high density of oriented wires along with their optical characteristics are presented for ZnO NWs with a significantly high growth rate compared with traditional growth techniques such as evaporation, chemical vapor deposition and sputtering. Our method promises a mass-manufacturable process for fast and inexpensive ZnO NW production for practical low cost electronics, photonics and energy conversion applications.

  2. Controllable fabrication of oriented micro/nanowire arrays of dibenzo-tetrathiafulvalene by a multiple drop-casting method

    NASA Astrophysics Data System (ADS)

    Liu, Yan; Zhao, Xiaoli; Cai, Bin; Pei, Tengfei; Tong, Yanhong; Tang, Qingxin; Liu, Yichun

    2014-01-01

    A multiple drop-casting method of growing the ultralong dibenzo-tetrathiafulvalene (DB-TTF) micro/nanowire arrays has been developed which has the success ratio as high as 94%. This method enables the arrays with a length over a few hundreds of micrometers to locate between droplets with the definite orientation. The width of the micro/nanowires is controlled via tuning the concentration of DB-TTF solution in dichloromethane. The large-scale arrays can be grown onto Si, SiO2, glass, and the flexible polyethylene terephthalate (PET) substrates. These results show the promising potential of this facile solution-based process for the growth of the high-quality organic micro/nanowires, the fabrication of high-performance and flexible devices, and the fabrication of controlled assemblies of nanoscale circuits for fundamental studies and future applications.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

    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 s{{p}3}{{s}\\ast} , 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.

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

    PubMed

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

    2016-04-01

    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. PMID:26951953

  6. Free-volume hole relaxation in molecularly oriented glassy polymers

    NASA Astrophysics Data System (ADS)

    Xia, Zhiyong; Trexler, Morgana; Wu, Fei; Jean, Yan-Ching; Van Horn, J. David

    2014-02-01

    The free-volume hole relaxation in polycarbonate and poly(methyl methacrylate) with different levels of molecular orientation was studied by positron annihilation lifetime spectroscopy at variable pressures. The molecular orientation was achieved through a simple shear process performed at different temperatures and extrusion rates. It has been demonstrated that the β relaxation is largely responsible for the free-volume hole anisotropy after simple shear orientation. Upon the removal of mechanical force, the deformation of the free volume is mostly reversible at temperatures much lower than the glass transition. No strong correlation between macroscopic deformation and the free-volume hole deformation was found regardless of molecular orientation.

  7. Free-volume hole relaxation in molecularly oriented glassy polymers.

    PubMed

    Xia, Zhiyong; Trexler, Morgana; Wu, Fei; Jean, Yan-Ching; Van Horn, J David

    2014-02-01

    The free-volume hole relaxation in polycarbonate and poly(methyl methacrylate) with different levels of molecular orientation was studied by positron annihilation lifetime spectroscopy at variable pressures. The molecular orientation was achieved through a simple shear process performed at different temperatures and extrusion rates. It has been demonstrated that the β relaxation is largely responsible for the free-volume hole anisotropy after simple shear orientation. Upon the removal of mechanical force, the deformation of the free volume is mostly reversible at temperatures much lower than the glass transition. No strong correlation between macroscopic deformation and the free-volume hole deformation was found regardless of molecular orientation. PMID:25353498

  8. 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

  9. Effects of temperature, loading rate and nanowire length on torsional deformation and mechanical properties of aluminium nanowires investigated using molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Sung, Po-Hsien; Wu, Cheng-Da; Fang, Te-Hua

    2012-05-01

    Single-crystal aluminium nanowires under torsion are studied using molecular dynamics simulations based on the many-body tight-binding potential. The effects of temperature, loading rate and nanowire length are evaluated in terms of atomic trajectories, potential energy, von Mises stress, a centrosymmetry parameter, torque, shear modulus and radial distribution function. Simulation results clearly show that torsional deformation begins at the surface, extends close to the two ends and finally diffuses to the middle part. The critical torsional angle which represents the beginning of plastic deformation varies with different conditions. Before the critical torsional angle is reached, the potential energy and the torque required for the deformation of a nanowire significantly increase with the torsional angle. The critical torsional angle increases with increasing nanowire length and loading rate and decreasing temperature. The torque required for the deformation decreases and the shear modulus increases with increasing nanowire length. For higher temperatures and higher loading rates, torsional buckling more easily occurs at the two ends of a nanowire, whereas it occurs towards the middle part at or below room temperature with lower loading rates. Geometry instability occurs before material instability (buckling) for a long nanowire.

  10. 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.

  11. 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.

  12. Detection of molecular charge dynamics through current noise in a GaAs-based nanowire FET

    NASA Astrophysics Data System (ADS)

    Inoue, Shinya; Kuroda, Ryota; Yin, Xiang; Sato, Masaki; Kasai, Seiya

    2015-04-01

    The detection of static and dynamic molecular charge states using a GaAs-based nanowire field-effect transistor (FET) was investigated. Tetraphenylporphyrin (TPP) was put on the device as target molecules. After coating TPP on the FET, the drain current clearly decreased. On the other hand, the current largely increased by 405-nm light irradiation, indicating that TPP worked as a photo-excited donor. The light irradiation on the FET also induced a Lorentzian noise component, which was superimposed onto conventional 1/f noise. These behaviors were not seen in the gateless nanowire even with TPP. The obtained results indicated that electrical interaction between TPP and the nanowire was enhanced when a metal gate existed, although the channel was protected from TPP by the gate metal. We discuss the observed behaviors on the basis of a model where only TPP in the gate periphery modulated the channel potential and the drain current.

  13. Semiconducting III-V nanowires with nanogaps for molecular junctions: DFT transport simulations.

    PubMed

    Kallesøe, Christian; Fürst, Joachim A; Mølhave, Kristian; Bøggild, Peter; Brandbyge, Mads

    2009-11-18

    We consider here the possibility of using III-V heterostructure nanowires as electrodes for molecular electronics instead of metal point contacts. Using ab initio electronic structure and transport calculations, we study the effect on electronic properties of placing a small molecule with thiol linking groups, benzene-di-thiol (BDT), within a nanosize gap in a III-V nanowire. Furthermore, it is investigated how surface states affect the transport through pristine III-V nanowires and through the BDT molecule situated within the nanogap. Using GaAs and GaP as III-V materials we find that the BDT molecule provides transport through the entire system comparable to the case of gold electrodes. PMID:19843997

  14. 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. PMID:26083845

  15. Effect of molecular orientation on the elastic constants of polypropylene.

    SciTech Connect

    Kumar, S. R.; Renusch, D. P.; Grimsditch, M.; Materials Science Division; Amoco Polymers Research & Development

    2000-03-07

    The Brillouin spectroscopic measurements of elastic properties of polypropylene films fabricated by different processing techniques are described. We find that the elastic symmetry and the associated elastic constants are dependent on the molecular orientation brought about by the processing conditions used to produce the films. We have shown that Brillouin scattering techniques can successfully be used to track the molecular orientation induced by uniaxial stretching. We find a direct correspondence between the Brillouin measurements and optical birefringence measurements, illustrating that molecular orientation plays a dominant role in determining the mechanical anisotropy in these materials.

  16. Orientation, alignment, and polytype control in epitaxial growth of SiC nanowires for electronics application in harsh environments

    NASA Astrophysics Data System (ADS)

    Koshka, Yaroslav; Thirumalai, Rooban Venkatesh K. G.; Krishnan, Bharat K.; Levin, Igor; Merrett, J. Neil; Davydov, Albert V.

    2013-09-01

    SiC nanowires (NWs) are attractive building blocks for the next generation electronic devices since silicon carbide is a wide bandgap semiconductor with high electrical breakdown strength, radiation resistance, mechanical strength, thermal conductivity, chemical stability and biocompatibility. Epitaxial growth using metal-catalyst-based vapor-liquid-solid mechanism was employed for SiC NW growth in this work. 4H-SiC substrates having different crystallographic orientations were used in order to control NW alignment and polytype. A new technique based on vapor-phase delivery of the metal catalyst was developed to facilitate control of the NW density. Both 4H and 3C polytypes with a strong stacking disorder were obtained. The 4H and 3C NWs had different orientations with respect to the substrate. 4H NWs grew perpendicular to the c-plane of the substrate. The stacking faults (SFs) in these nanowires were perpendicular to the [0001] nanowire axes. All 3C NWs grew at 20° with respect to the substrate c-plane, and their projections on the c-plane corresponded to one of the six equivalent ⟨101-0⟩ crystallographic directions. All six orientations were obtained simultaneously when growing NWs on the (0001) substrate surface, while only one or two NW orientations were observed when growing NWs on any particular crystallographic plane parallel to the c-axis of the substrate. Growth on {101-0} surfaces resulted in only one NW orientation, thereby producing well-aligned NW arrays. Preliminary measurements of the NW electrical conductivity are reported utilizing two-terminal device geometry.

  17. 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.

  18. Control of liquid crystal molecular orientation using ultrasound vibration

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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.

  19. 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.

  20. Molecular Motor Propelled Filaments Reveal Light-Guiding in Nanowire Arrays for Enhanced Biosensing

    PubMed Central

    2013-01-01

    Semiconductor nanowire arrays offer significant potential for biosensing applications with optical read-out due to their high surface area and due to the unique optical properties of one-dimensional materials. A challenge for optical read-out of analyte-binding to the nanowires is the need to efficiently collect and detect light from a three-dimensional volume. Here we show that light from fluorophores attached along several μm long vertical Al2O3 coated gallium phosphide nanowires couples into the wires, is guided along them and emitted at the tip. This enables effective collection of light emitted by fluorescent analytes located at different focal planes along the nanowire. We unequivocally demonstrate the light-guiding effect using a novel method whereby the changes in emitted fluorescence intensity are observed when fluorescent cytoskeletal filaments are propelled by molecular motors along the wires. The findings are discussed in relation to nanobiosensor developments, other nanotechnological applications, and fundamental studies of motor function. PMID:24367994

  1. 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.

  2. Molecular Transport Junctions Created By Self-Contacting Gapped Nanowires.

    PubMed

    Lim, Jong Kuk; Lee, One-Sun; Jang, Jae-Won; Petrosko, Sarah Hurst; Schatz, George C; Mirkin, Chad A

    2016-08-01

    Molecular transport junctions (MTJs) are important components in molecular electronic devices. However, the synthesis of MTJs remains a significant challenge, as the dimensions of the junction must be tailored for each experiment, based on the molecular lengths. A novel methodology is reported for forming MTJs, taking advantage of capillary and van der Waals forces. PMID:27364594

  3. Orientational Order of Molecular Assemblies on Inorganic Crystals

    NASA Astrophysics Data System (ADS)

    Chun, Jaehun; Saville, Dudley; Li, Je-Luen; Schniepp, Hannes; Car, Roberto; Aksay, Ilhan

    2006-03-01

    Surfactant micelles form oriented arrays on crystalline substrates such as HOPG (Highly Ordered Pyrolytic Graphite) although registration is unexpected since the template unit cell is small compared to the size of a rod-like micelle. In addition, with atomic force microscopy, we show that orientational ordering is a dynamic, multi-molecule process. Interaction energy calculations based on molecular simulations reveal that orientational energy differences on a molecular scale are too small to explain matters. However, treating the cooperative processes as a balance between van der Waals torque on a large, rod-like micellar assembly and Brownian motion shows that orientation is favored. Our study provides a physical insight on regulation of self-assembly structures at small length scale.

  4. 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.

  5. Coupling Molecular Beacons to Barcoded Metal Nanowires for Multiplexed, Sealed Chamber DNA Bioassays

    PubMed Central

    Stoermer, Rebecca L.; Cederquist, Kristin B.; McFarland, Sean K.; Sha, Michael Y.; Penn, Sharron G.

    2010-01-01

    We have combined molecular beacon (MB) probes with barcoded metal nanowires to enable no-wash, sealed chamber, multiplexed detection of nucleic acids. Probe design and experimental parameters important in nanowire-based MB assays are discussed. Loop regions of 24 bases and 5 base pair stem regions in the beacon probes gave optimal performance. Our results suggest that thermodynamic predictions for secondary structure stability of solution-phase MB can guide probe design for nanowire-based assays. Dengue virus-specific probes with predicted solution-phase ΔG of folding in 500 mM buffered NaCl of approximately −4 kcal/mol performed better than those with ΔG > −2 or < −6 kcal/mol. Buffered 300–500 mM NaCl was selected after comparison of several buffers previously reported for similar types of assays, and 200–500 mM NaCl was found to be the optimal ionic strength for the hybridization temperatures (25 and 50 °C) and probe designs used here. Target binding to the surface as a function of solution concentration fit a Sips isotherm with Kd = 1.7 ± 0.3 nM. The detection limit was ∼100 pM, limited by incomplete quenching. Single base mismatches could be discriminated from fully complementary targets. Oligonucleotide target sequences specific for human immunodeficiency, hepatitis C, and severe acute respiratory viruses were assayed simultaneously in a no-wash, sealed chamber, multiplexed experiment in which each of three probe sequences was attached to a different pattern of encoded nanowires. Finally, we demonstrated that probe-coated nanowires retain their selectivity and sensitivity in a triplexed assay after storage for over 3 months. PMID:17177440

  6. 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.

  7. Laser-field-free three-dimensional molecular orientation

    NASA Astrophysics Data System (ADS)

    Takei, Daisuke; Mun, Je Hoi; Minemoto, Shinichirou; Sakai, Hirofumi

    2016-07-01

    Laser-field-free three-dimensional orientation, corresponding to the complete control of spatial directions of asymmetric top molecules, is achieved with combined weak electrostatic and elliptically polarized laser fields with an 8-ns turnon and a 150-fs turnoff, which is shaped by a plasma shutter. Rotationally cold 3,4-dibromothiophene molecules are used as a sample, and their lower-lying rotational states are selected by a molecular deflector to increase the degrees of orientation. After the rapid turnoff of the pump pulse, higher degrees of orientation are maintained for 5-10 ps, which is long enough for various applications including electronic stereodynamics in molecules with femtosecond pulses.

  8. Molecular Orientation of Liquid Crystals on Topographic Nanopatterns.

    PubMed

    Ryu, Seong Ho; Yoon, Dong Ki

    2016-07-13

    Controlling the orientation of building blocks in soft matter on the substrate has been a big challenge in material sciences. We have controlled the molecular orientation of liquid crystal (LC) materials on the porous anodic aluminum oxide (AAO) film having hexagonal pore arrays on the top surface. In our method, anchoring conditions can be varied by changing the pore size (Dp) and the porosity (P). As a proof-of-concept, the orientation of smectic A (SmA) structure at different anchoring conditions was successfully controlled in a sandwich cell consisting of AAO and a glass substrate, which has not been successfully controlled by conventional methods. PMID:27322013

  9. 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.

  10. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

    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.

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

    PubMed

    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

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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 Landé g-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. 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. PMID:26308470

  15. Molecular orientation of rhodamine dyes on surfaces of layered silicates.

    PubMed

    Bujdák, Juraj; Iyi, Nobuo

    2005-03-17

    Films of the layered silicates fluorohectorite (FH) and saponite (Sap) with various rhodamine dyes were prepared. The dyes with acidic as well as large hydrophobic groups in their molecule were not adsorbed on the surface of FH, which was interpreted in terms of high charge density on the surface of this silicate. All adsorbed dyes formed similar forms, such as isolated cations and H-type molecular aggregates, which were characterized by different spectral properties. Polarized ultraviolet-visible (UV-vis) spectroscopy was used for the characterization of the molecular orientation of dye chromophores on the silicate surface. The isolated dye cations and species, which absorbed light at the low energy part of the spectra, were only slightly tilted with respect to the plane of the silicate surface. The cations forming H-aggregates and absorbing light at low wavelengths were oriented in a nearly perpendicular fashion. The nearly perpendicular orientation was observed as a strong increase of dichroic ratio with film tilting. The orientation of the cations in H-aggregates depends partially on the structure of the dye molecule, namely, on the type of amino group (primary, secondary, or tertiary) in the dye molecule. The type of amino groups probably plays a role in the suitable orientation of dye cations for effective electrostatic interaction between the cations and the negatively charged siloxane surface. X-ray powder diffraction could not distinguish dye phases of dye monomers and molecular aggregates. PMID:16851539

  16. Molecular Orientation in Two Component Vapor-Deposited Glasses: Effect of Substrate Temperature and Molecular Shape

    NASA Astrophysics Data System (ADS)

    Powell, Charles; Jiang, Jing; Walters, Diane; Ediger, Mark

    Vapor-deposited glasses are widely investigated for use in organic electronics including the emitting layers of OLED devices. These materials, while macroscopically homogenous, have anisotropic packing and molecular orientation. By controlling this orientation, outcoupling efficiency can be increased by aligning the transition dipole moment of the light-emitting molecules parallel to the substrate. Light-emitting molecules are typically dispersed in a host matrix, as such, it is imperative to understand molecular orientation in two-component systems. In this study we examine two-component vapor-deposited films and the orientations of the constituent molecules using spectroscopic ellipsometry, UV-vis and IR spectroscopy. The role of temperature, composition and molecular shape as it effects molecular orientation is examined for mixtures of DSA-Ph in Alq3 and in TPD. Deposition temperature relative to the glass transition temperature of the two-component mixture is the primary controlling factor for molecular orientation. In mixtures of DSA-Ph in Alq3, the linear DSA-Ph has a horizontal orientation at low temperatures and slight vertical orientation maximized at 0.96Tg,mixture, analogous to one-component films.

  17. 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. PMID:26358333

  18. Self-assembling of molecular nanowires for enhancing the conducting properties of discotic liquid crystals

    NASA Astrophysics Data System (ADS)

    Park, Ji Hyun; Kim, Kyung Ho; Takanishi, Yoichi; Yamamoto, Jun; Park, Yung Woo; Kim, Youn Sang; Scalia, Giusy

    2015-08-01

    The self-organization of discotic liquid crystal molecules in columns has enormous interest for soft nanoelectronic applications. A great advantage of discotic liquid crystal is that defects can be self-annealed in contrast to typical organic materials. Through the overlap of molecular orbitals, the aromatic cores assemble into long range ordered one-dimensional structures. Very thin structured films can be obtained by spin-coating from solution and the resulting morphologies are strongly dependent on the interaction between discotics and solvent molecules. Toluene produces films formed by very long nanowires, spontaneously aligned along a common direction and over fairly large areas. These nanostructured films are a result of the interplay between liquid crystal self-organization and solvent driven assembly. The ordered nanowire structures exhibit improvement in the electrical properties compared to misaligned structures and even to pristine HAT5, deposited without the aid of solvent. In this study we show that the toluene-based deposition of discotic liquid crystals is advantageous because it allows a uniform coverage of the substrate, unlike pristine HAT5 but also thanks to the type of induced structures exhibiting one order of magnitude higher conductivity, in the aligned nanowire films, compared to bare HAT5 ones.

  19. Molecular beam epitaxial growth of Bi{sub 2}Se{sub 3} nanowires and nanoflakes

    SciTech Connect

    Knebl, G. M. Gessler, J. R.; Kamp, M.; Höfling, S.

    2014-09-29

    Topological Insulators are in focus of immense research efforts and rapid scientific progress is obtained in that field. Bi{sub 2}Se{sub 3} has proven to be a topological insulator material that provides a large band gap and a band structure with a single Dirac cone at the Γ-point. This makes Bi{sub 2}Se{sub 3} one of the most promising three dimensional topological insulator materials. While Bi{sub 2}Se{sub 3} nanowires and nanoflakes so far were fabricated with different methods and for different purposes, we here present the first Bi{sub 2}Se{sub 3} nanowires as well as nanoflakes grown by molecular beam epitaxy. The nanostructures were nucleated on pretreated, silicon (100) wafers. Altering the growth conditions nanoflakes could be fabricated instead of nanowires; both with high crystalline quality, confirmed by scanning electron microscopy as well as transmission electron microscopy. These nanostructures have promise for spintronic devices and Majorana fermion observation in contact to superconductor materials.

  20. 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.

  1. 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.

  2. 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

  3. 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.

    PubMed

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

    2015-03-01

    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. PMID:25668105

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

    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.

  5. 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.

  6. 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

  7. Vertically Aligned Ge Nanowires on Flexible Plastic Films Synthesized by (111)-Oriented Ge Seeded Vapor-Liquid-Solid Growth.

    PubMed

    Toko, Kaoru; Nakata, Mitsuki; Jevasuwan, Wipakorn; Fukata, Naoki; Suemasu, Takashi

    2015-08-19

    Transfer-free fabrication of vertical Ge nanowires (NWs) on a plastic substrate is demonstrated using a vapor-liquid-solid (VLS) method. The crystal quality of Ge seed layers (50 nm thickness) prepared on plastic substrates strongly influenced the VLS growth morphology, i.e., the density, uniformity, and crystal quality of Ge NWs. The metal-induced layer exchange yielded a (111)-oriented Ge seed layer at 325 °C, which allowed for the VLS growth of vertically aligned Ge NWs. The Ge NW array had almost the same quality as that formed on a bulk Ge(111) substrate. Transmission electron microscopy demonstrated that the Ge NWs were defect-free single crystals. The present investigation paves the way for advanced electronic optical devices integrated on a low-cost flexible substrate. PMID:26230716

  8. 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. PMID:26720592

  9. Chloroaluminum phthalocyanine thin films: chemical reaction and molecular orientation.

    PubMed

    Latteyer, Florian; Peisert, Heiko; Uihlein, Johannes; Basova, Tamara; Nagel, Peter; Merz, Michael; Schuppler, Stefan; Chassé, Thomas

    2013-05-01

    The chemical transformation of the polar chloroaluminum phthalocyanine, AlClPc, to μ-(oxo)bis(phthalocyaninato)aluminum(III), (PcAl)2O, in thin films on indium tin oxide is studied and its influence on the molecular orientation is discussed. The studies were conducted using complementary spectroscopic techniques: Raman spectroscopy, X-ray photoelectron spectroscopy, and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. In addition, density functional theory calculations were performed in order to identify specific vibrations and to monitor the product formation. The thin films of AlClPc were annealed in controlled environmental conditions to obtain (PcAl)2O. It is shown that the chemical transformation in the thin films can proceed only in the presence of water. The influence of the reaction and the annealing on the molecular orientation was studied with Raman spectroscopy and NEXAFS spectroscopy in total electron yield and partial electron yield modes. The comparison of the results obtained from these techniques allows the determination of the molecular orientation of the film as a function of the probing depth. PMID:23494276

  10. 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. PMID:27107147

  11. 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. PMID:24933655

  12. 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. PMID:20050692

  13. 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

  14. 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.

  15. 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

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

    SciTech Connect

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

    2013-10-28

    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 In{sub 0.3}Ga{sub 0.7}N 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 In{sub 0.3}Ga{sub 0.7}N nanowires. The resonant emission is characterized by a peak wavelength and linewidth of 575 nm and 39 nm, respectively.

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

    NASA Astrophysics Data System (ADS)

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

    2016-01-01

    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 (QII) template. Further investigation into the mechanism for the orientation revealed the surprising result that the QII 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 QII 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 QII phases. Most significantly, we have produced a previously unreported class of oriented nanomaterial, with potential applications including metamaterials and lithographic masks.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 (QII) template. Further investigation into the mechanism for the orientation revealed the surprising result that the QII template, which is tens of microns thick, is polydomain with no overall orientation. When thicker

  19. 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.

  20. Growth of Inclined GaAs Nanowires by Molecular Beam Epitaxy: Theory and Experiment

    PubMed Central

    2010-01-01

    The growth of inclined GaAs nanowires (NWs) during molecular beam epitaxy (MBE) on the rotating substrates is studied. The growth model provides explicitly the NW length as a function of radius, supersaturations, diffusion lengths and the tilt angle. Growth experiments are carried out on the GaAs(211)A and GaAs(111)B substrates. It is found that 20° inclined NWs are two times longer in average, which is explained by a larger impingement rate on their sidewalls. We find that the effective diffusion length at 550°C amounts to 12 nm for the surface adatoms and is more than 5,000 nm for the sidewall adatoms. Supersaturations of surface and sidewall adatoms are also estimated. The obtained results show the importance of sidewall adatoms in the MBE growth of NWs, neglected in a number of earlier studies. PMID:21076695

  1. 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.

  2. 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.

  3. 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

  4. 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

    2015-07-01

    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. PMID:26072966

  5. Bandgap tuning of GaAs/GaAsSb core-shell nanowires grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kasanaboina, Pavan Kumar; Krishna Ojha, Sai; Sami, Shifat Us; Reynolds, C. Lewis, Jr.; Liu, Yang; Iyer, Shanthi

    2015-10-01

    Semiconductor nanowires have been identified as a viable technology for next-generation infrared (IR) photodetectors with improved detectivity and detection across a range of energies as well as for novel single-photon detection in quantum networking. The GaAsSb materials system is especially promising in the 1.3-1.55 μm spectral range. In this work we present band-gap tuning up to 1.3 μm in GaAs/GaAsSb core-shell 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 microstructural and optical quality of the nanowires. The presence of multiple PL peaks for Sb compositions ≥12 at.% and degradation in the nanowire quality as attested by broadening of Raman and x-ray diffraction peaks reveal compositional instability in the nanowires. Transmission electron microscope (TEM) images show the presence of stacking faults and twins. Based on photoluminescence (PL) peak energies and their excitation power dependence behavior, an energy-band diagram for GaAs/GaAsSb core-shell nanowires is proposed. Optical transitions are dominated by type II transitions at lower Sb compositions and a combination of type I and type II transitions for compositions ≥12 at.%. Type I optical transitions as low as 0.93 eV (1.3 μm) from the GaAsSb for Sb composition of 26 at.% have been observed. The PL spectrum of a single nanowire is replicated in the ensemble nanowires, demonstrating good compositional homogeneity of the latter. A double-shell configuration for passivation of deleterious surface states leads to significant enhancement in the PL intensity resulting in the observation of room temperature emission, which provides significant potential for further improvement with important implications for nanostructured optoelectronic devices operating in the near-infrared regime.

  6. Redox-Active Molecular Nanowire Flash Memory for High-Endurance and High-Density Nonvolatile Memory Applications.

    PubMed

    Zhu, Hao; Pookpanratana, Sujitra J; Bonevich, John E; Natoli, Sean N; Hacker, Christina A; Ren, Tong; Suehle, John S; Richter, Curt A; Li, Qiliang

    2015-12-16

    In this work, high-performance top-gated nanowire molecular flash memory has been fabricated with redox-active molecules. Different molecules with one and two redox centers have been tested. The flash memory has clean solid/molecule and dielectric interfaces, due to the pristine molecular self-assembly and the nanowire device self-alignment fabrication process. The memory cells exhibit discrete charged states at small gate voltages. Such multi-bit memory in one cell is favorable for high-density storage. These memory devices exhibit fast speed, low power, long memory retention, and exceptionally good endurance (>10(9) cycles). The excellent characteristics are derived from the intrinsic charge-storage properties of the protected redox-active molecules. Such multi-bit molecular flash memory is very attractive for high-endurance and high-density on-chip memory applications in future portable electronics. PMID:26600234

  7. A Molecular Switch for the Orientation of Epithelial Cell Polarization

    PubMed Central

    Bryant, David M.; Roignot, Julie; Datta, Anirban; Overeem, Arend W.; Kim, Minji; Yu, Wei; Peng, Xiao; Eastburn, Dennis J.; Ewald, Andrew J.; Werb, Zena; Mostov, Keith E.

    2014-01-01

    SUMMARY The formation of epithelial tissues containing lumens requires not only the apical-basolateral polarization of cells, but also the coordinated orientation of this polarity such that the apical surfaces of neighboring cells all point toward the central lumen. Defects in extracellular matrix (ECM) signaling lead to inverted polarity so that the apical surfaces face the surrounding ECM. We report a molecular switch mechanism controlling polarity orientation. ECM signals through a β1-integrin/FAK/p190RhoGAP complex to down-regulate a RhoA/ROCK/Ezrin pathway at the ECM interface. PKCβII phosphorylates the apical identity-promoting Podocalyxin/NHERF1/Ezrin complex, removing Podocalyxin from the ECM-abutting cell surface and initiating its transcytosis to an apical membrane initiation site for lumen formation. Inhibition of this switch mechanism results in the retention of Podocalyxin at the ECM interface and the development instead of collective front-rear polarization and motility. Thus, ECM-derived signals control the morphogenesis of epithelial tissues by controlling the collective orientation of epithelial polarization. PMID:25307480

  8. Molecular dynamics simulation overcoming the finite size effects of thermal conductivity of bulk silicon and silicon nanowires

    NASA Astrophysics Data System (ADS)

    Hou, Chaofeng; Xu, Ji; Ge, Wei; Li, Jinghai

    2016-05-01

    Nonequilibrium molecular dynamics simulation has been a powerful tool for studying the thermophysical properties of bulk silicon and silicon nanowires. Nevertheless, usually limited by the capacity and capability of computational resources, the traditional longitudinal and transverse simulation sizes are evidently restricted in a narrow range much less than the experimental scales, which seriously hinders the exploration of the thermal properties. In this research, based on a powerful and efficient molecular dynamics (MD) simulation method, the computation of thermal conductivity beyond the known Casimir size limits is realized. The longitudinal dimensions of the simulations significantly exceed the micrometer scale. More importantly, the lateral characteristic sizes are much larger than 10 nanometers, explicitly comparable with the silicon nanowires fabricated and measured experimentally, whereas the traditional simulation size is several nanometers. The powerful virtual experimental measurement provided in our simulations achieves the direct prediction of the thermal conductivity of bulk silicon and real-scale silicon nanowires, and delineates the complete longitudinal size dependence of their thermal conductivities, especially at the elusive mesoscopic scale. Furthermore, the presented measurement paves an exciting and promising way to explore in depth the thermophysical properties of other bulk covalent solids and their low-dimensional structures, such as nanowires and nanosheets.

  9. Orientational disorder: A key to understand polarity of molecular crystals

    NASA Astrophysics Data System (ADS)

    Hulliger, J.; Brahimi, K.; Burgener, M.; Dulcevscaia, G.

    2014-12-01

    Polarity of molecular crystals is understood here as a result of 180° orientational disorder of asymmetrical building blocks. Symmetry arguments based on (i) a single rotational degree of freedom, (ii) the finite size of crystals and (iii) interactions in between asymmetrical molecules lead to the conclusion that such crystals should express a bi-polar (∞/∞m) average state of zero polarity. This basic property of molecular crystals is exemplified by forming solid solutions of 4-iodo-4‧-nitro-biphenyl (INBP) and symmetrical bi-phenyls (BP: A-π-A, D-π-D; A: acceptor; D: donor). Monte Carlo simulations based on a layer-by-layer growth model predict a reversal of the bi-polar state of pure INBP by forming a solid solution of (INBP)1-x(D-π-D)x. In the case of the addition of A-π-A reversal as found for pure INBP is promoted, i.e. needs less growth steps (layers) to be accomplished. Real crystals representing solid solutions were grown from 2-butanon solutions using symmetrical BPs. Scanning pyroelectric microscopy confirmed the qualitative behavior seen in Monte Carlo simulations. These findings represent an experimentum crucis supporting the general validity of the theory of stochastic polarity formation applied to single component or solid solution molecular crystals.

  10. 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.

  11. Length dependence of carbon-doped BN nanowires: A-D Rectification and a route to potential molecular devices

    NASA Astrophysics Data System (ADS)

    Qiu, M.; Liew, K. M.

    2013-02-01

    Based on the first-principles approach, electronic transport properties of different lengths of carbon-doped boron-nitrogen nanowires, capped with two thiols as end groups connected to Au electrodes surfaces, are investigated. The results show that rectifying performance and negative differential resistance (NDR) behaviors can be enhanced obviously by increasing the length. Analysis of Mülliken population, transmission spectra, evolutions of frontier orbitals and molecular projected self-consistent Hamiltonian of molecular orbital indicate that electronic transmission strength, charge transfer and distributions of molecular states change are the intrinsic origin of these rectifying performances and NDR behaviors.

  12. 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.

  13. 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.

  14. Optical properties of single ZnTe nanowires grown at low temperature

    SciTech Connect

    Artioli, A.; Stepanov, P.; Den Hertog, M.; Bougerol, C.; Genuist, Y.; Donatini, F.; André, R.; Nogues, G.; Tatarenko, S.; Ferrand, D.; Cibert, J.; Inst NEEL, CNRS, F-38042 Grenoble ; Rueda-Fonseca, P.; Inst NEEL, CNRS, F-38042 Grenoble; INAC, CEA and Université de Grenoble, 17 rue des Martyrs, 38054 Grenoble ; Bellet-Amalric, E.; Kheng, K.

    2013-11-25

    Optically active gold-catalyzed ZnTe nanowires have been grown by molecular beam epitaxy, on a ZnTe(111) buffer layer, at low temperature (350 °C) under Te rich conditions, and at ultra-low density (from 1 to 5 nanowires per μm{sup 2}). The crystalline structure is zinc blende as identified by transmission electron microscopy. All nanowires are tapered and the majority of them are <111> oriented. Low temperature micro-photoluminescence and cathodoluminescence experiments have been performed on single nanowires. We observe a narrow emission line with a blue-shift of 2 or 3 meV with respect to the exciton energy in bulk ZnTe. This shift is attributed to the strain induced by a 5 nm-thick oxide layer covering the nanowires, and this assumption is supported by a quantitative estimation of the strain in the nanowires.

  15. 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.

  16. 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.

  17. Lithographically patterned nanowire electrodeposition.

    PubMed

    Menke, E J; Thompson, M A; Xiang, C; Yang, L C; Penner, R M

    2006-11-01

    Nanowire fabrication methods can be classified either as 'top down', involving photo- or electron-beam lithography, or 'bottom up', involving the synthesis of nanowires from molecular precursors. Lithographically patterned nanowire electrodeposition (LPNE) combines attributes of photolithography with the versatility of bottom-up electrochemical synthesis. Photolithography defines the position of a sacrificial nickel nanoband electrode, which is recessed into a horizontal trench. This trench acts as a 'nanoform' to define the thickness of an incipient nanowire during its electrodeposition. The electrodeposition duration determines the width of the nanowire. Removal of the photoresist and nickel exposes a polycrystalline nanowire--composed of gold, platinum or palladium--characterized by thickness and width that can be independently controlled down to 18 and 40 nm, respectively. Metal nanowires prepared by LPNE may have applications in chemical sensing and optical signal processing, and as interconnects in nanoelectronic devices. PMID:17057701

  18. SHG microscopy excited by polarization controlled beam for three-dimensional molecular orientation measurement

    NASA Astrophysics Data System (ADS)

    Yoshiki, K.; Hashimoto, M.; Araki, T.

    2006-08-01

    We have developed a second-harmonic-generation (SGH) microscope to observe the three-dimensional molecular orientation with three-dimensional high spatial resolution using a polarization mode converter. The mode converter consists of a parallel-aligned nematic-liquid-crystal spatial-light-modulator (PAL-SLM) and quarter-waveplates, and converts a incident linearly polarized beam to orthogonal linearly polarized beams or radially polarized beam. We combined the mode converter with SHG microscope to obtain the local information of the three-dimensional molecular orientation. We demonstrated the detection of three-dimensional molecular orientation of collagen fiber in human Achilles' tendon. For high precision three-dimensional molecular orientation measurement, we propose a technique to calibrate the dependence of SHG detection efficiencies on molecular orientation using a liposome.

  19. 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. PMID:24446808

  20. 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.

  1. EDITORIAL: Nanowires Nanowires

    NASA Astrophysics Data System (ADS)

    Jagadish, Chennupati

    2010-02-01

    Nanowires are considered as building blocks for the next generation of electronics, photonics, sensors and energy applications. One-dimensional nanostructures offer unique opportunities to control the density of states of semiconductors, and in turn their electronic and optical properties. Nanowires allow the growth of axial heterostructures without the constraints of lattice mismatch. This provides flexibility to create heterostructures of a broad range of materials and allows integration of compound semiconductor based optoelectronic devices with silicon based microelectronics. Nanowires are widely studied and the number of papers published in the field is growing exponentially with time. Already nanowire lasers, nanowire transistors, nanowire light emitting diodes, nanowire sensors and nanowire solar cells have been demonstrated. This special issue on semiconductor nanowires features 17 invited papers from leading experts in the field. In this special issue, the synthesis and growth of semiconductor nanowires of a broad range of materials have been addressed. Both axial and radial heterostructures and their structural properties have been discussed. Electrical transport properties of nanowires have been presented, as well as optical properties and carrier dynamics in a range of nanowires and nanowire heterostructures. Devices such as nanowire lasers and nanowire sensors have also been discussed. I would like to thank the Editorial Board of the journal for suggesting this special issue and inviting me to serve as the Guest Editor. Sincere thanks are due to all the authors for their contributions to this special issue. I am grateful to the reviewers and editorial staff at Semiconductor Science and Technology and the Institute of Physics Publishing for their excellent efforts. Special thanks are due to Dr Claire Bedrock for coordinating this special issue.

  2. 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. PMID:25565378

  3. Substrate temperature controls molecular orientation in two-component vapor-deposited glasses.

    PubMed

    Jiang, J; Walters, D M; Zhou, D; Ediger, M D

    2016-04-01

    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]styryl-benzene (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. 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. PMID:26922903

  4. 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. PMID:23005623

  5. Nanoimprint-Induced Molecular Orientation in Semiconducting Polymer Nanostructures

    SciTech Connect

    Hlaing, H.; Ocko, B.; Lu, X.; Hofmann, T.; Yager, K.G.; Black, C.T.

    2011-09-01

    The morphology and orientation of thin films of the polymer poly-3(hexylthiophene) - important parameters influencing electronic and photovoltaic device performance - have been significantly altered through nanoimprinting with 100 nm spaced grooves. Grazing-incidence small-angle X-ray scattering studies demonstrate the excellent fidelity of the pattern transfer, while wide-angle scattering convincingly shows an imprinting-induced {pi}-{pi} reorientation and polymer backbone alignment along the imprinted grooves. Surprisingly, temperature-dependent scattering measurements indicate that the imprinted induced orientation and alignment remain intact even at temperatures where the imprinted topographical features nearly vanish.

  6. Ordered nanocolumn-array organic semiconductor thin films with controllable molecular orientation

    NASA Astrophysics Data System (ADS)

    Yang, Bingchu; Duan, Haichao; Zhou, Conghua; Gao, Yongli; Yang, Junliang

    2013-12-01

    Ordered nanocolumn-array phthalocynine semiconductor thin films with controllable molecular orientation were fabricated by combining molecular template growth (MTG) and glancing angle deposition (GLAD) techniques. The pre-deposited planar perylene-3,4,9,10-tetracarboxylic-3,4,9,10-dianhydride (PTCDA) molecular template layer induces phthalocynine molecules arrange with a lying-down molecular orientation, in which the π-π stacking is vertical to the substrate improving the charge transport along the vertical direction; While the GLAD technique supports the formation of nanocolumn-array thin films, supplying a much larger exposed surface area than the conventional compact thin films. The ordered nanocolumn-array thin films with controllable molecular orientation fabricated by combining MTG and GLAD techniques show the potentials to fabricate ordered bulk heterojunction for improving the performance in organic photovoltaics.

  7. Molecular orientation effect on the differential cross sections for the electron-impact double ionization of oriented water molecules

    SciTech Connect

    Champion, C.; Dal Cappello, C.; Oubaziz, D.; Aouchiche, H.; Popov, Yu. V.

    2010-03-15

    Double ionization of isolated water molecules fixed in space is here investigated in a theoretical approach based on the first Born approximation. Secondary electron angular distributions are reported for particular (e,3e) kinematical conditions and compared in terms of shape and magnitude. Strong dependence of the fivefold differential cross sections on the molecular target orientation is clearly observed in (e,3-1e) as well as (e,3e) channels. Furthermore, for the major part of the kinematics considered, we identified the different mechanisms involved in the double ionization of water molecule, namely, the direct shake-off process as well as the two-step1 process. They are both discussed and analyzed with respect to the molecular target orientation.

  8. Role of ionization in orientation dependence of molecular high-order harmonic generation

    NASA Astrophysics Data System (ADS)

    Chen, Y. J.; Hu, Bambi

    2009-12-01

    We investigate the orientation dependence of high-order harmonic generation (HHG) from O2 and CO2 molecules using the strong-field approximation (SFA). Our simulations reveal the important modulation of the ionization to the HHG orientation dependence, especially at larger orientation angles. By virtue of a simplified model arising from the SFA, we show that this modulation can be read from the harmonic order where the HHG spectra at different orientation angles intersect. These results give suggestions on probing the molecular structure and dynamics using HHG.

  9. Vapor deposition of a smectic liquid crystal: highly anisotropic, homogeneous glasses with tunable molecular orientation.

    PubMed

    Gómez, Jaritza; Jiang, Jing; Gujral, Ankit; Huang, Chengbin; Yu, Lian; Ediger, M D

    2016-03-01

    Physical vapor deposition (PVD) has been used to prepare glasses of itraconazole, a smectic A liquid crystal. Glasses were deposited onto subtrates at a range of temperatures (Tsubstrate) near the glass transition temperature (Tg), with Tsubstrate/Tg ranging from 0.70 to 1.02. Infrared spectroscopy and spectroscopic ellipsometry were used to characterize the molecular orientation using the orientational order parameter, Sz, and the birefringence. We find that the molecules in glasses deposited at Tsubstrate = Tg are nearly perpendicular to the substrate (Sz = +0.66) while at lower Tsubstrate molecules are nearly parallel to the substrate (Sz = -0.45). The molecular orientation depends on the temperature of the substrate during preparation, allowing layered samples with differing orientations to be readily prepared. In addition, these vapor-deposited glasses are macroscopically homogeneous and molecularly flat. We interpret the combination of properties obtained for vapor-deposited glasses of itraconazole to result from a process where molecular orientation is determined by the structure and dynamics at the free surface of the glass during deposition. Vapor deposition of liquid crystals is likely a general approach for the preparation of highly anisotropic glasses with tunable molecular orientation for use in organic electronics and optoelectronics. PMID:26875700

  10. Ultrafast electron transfer at organic semiconductor interfaces: Importance of molecular orientation

    DOE PAGESBeta

    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 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

  11. 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.

  12. Ultrafast Electron Transfer at Organic Semiconductor Interfaces: Importance of Molecular Orientation.

    PubMed

    Ayzner, Alexander L; Nordlund, Dennis; Kim, Do-Hwan; Bao, Zhenan; Toney, Michael F

    2015-01-01

    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. PMID:26263084

  13. Molecular orientation of tropoelastin is determined by surface hydrophobicity.

    PubMed

    Le Brun, Anton P; Chow, John; Bax, Daniel V; Nelson, Andrew; Weiss, Anthony S; James, Michael

    2012-02-13

    Tropoelastin is the precursor of the extracellular protein elastin and is utilized in tissue engineering and implant technology by adapting the interface presented by surface-bound tropoelastin. The preferred orientation of the surface bound protein is relevant to biointerface interactions, as the C-terminus of tropoelastin is known to be a binding target for cells. Using recombinant human tropoelastin we monitored the binding of tropoelastin on hydrophilic silica and on silica made hydrophobic by depositing a self-assembled monolayer of octadecyl trichlorosilane. The layered organization of deposited tropoelastin was probed using neutron and X-ray reflectometry under aqueous and dried conditions. In a wet environment, tropoelastin retained a solution-like structure when adsorbed on silica but adopted a brush-like structure when on hydrophobized silica. The orientation of the surface-bound tropoelastin was investigated using cell binding assays and it was found that the C-terminus of tropoelastin faced the bulk solvent when bound to the hydrophobic surface, but a mixture of orientations was adopted when tropoelastin was bound to the hydrophilic surface. Drying the tropoelastin-coated surfaces irreversibly altered these protein structures for both hydrophilic and hydrophobic surfaces. PMID:22176209

  14. 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.

  15. 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.

  16. Computer Simulation for Molecular Orientation of Vanadyl Phthalocyanine in Epitaxial Form

    NASA Astrophysics Data System (ADS)

    Tada, Hirokazu; Mashiko, Shinro

    1995-07-01

    Molecular orientation of vanadyl phthalocyanine (VOPc) adsorbed on KBr and KCl was studied by molecular mechanics simulation. A VOPc molecule with an oxygen atom oriented upward with respect to the substrate surface was found to be more stable than that oriented downward. The central vanadium atom preferred to stay on potassium cations rather than on halogen anions, which is contrary to our expectation. The lattices optimized in this study agree well with the experimental results. In the epitaxial form on KBr and KCl, the angle between the [100] axis of the substrates and the molecular axis passing through two bridge-nitrogen atoms was 39° and 45°, respectively. The dovetail molecular packing was observed on KCl, while some voids existed between molecules in the optimized packing on KBr.

  17. 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

    2014-08-01

    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. PMID:24751255

  18. 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.

  19. Aluminum Nanowire Arrays via Directed Assembly

    NASA Astrophysics Data System (ADS)

    Nesbitt, Nathan T.; Merlo, Juan M.; Rose, Aaron H.; Calm, Yitzi M.; D'Imperio, Luke A.; Courtney, Dave T.; Shepard, Steve; Kempa, Krzysztof; Burns, Michael J.; Naughton, Michael J.

    Vertically-oriented metal nanowire arrays are rare. Here, freestanding, vertically-oriented, and lithographically-ordered Al nanowire arrays have been fabricated via directed assembly. The fabrication technique is a variation on the preparation of anodized aluminum oxide (AAO) templates, using nanoimprint lithography (NIL) to direct the formation of pores on an Al film and produce Al nanowires. Near-field scanning optical microscope (NSOM) and conventional optical microscope data of a single nanowire lying on glass and illuminated by a laser spot show evidence of surface plasmons propagating along the nanowire. This material is based upon work supported by the National Science Foundation Graduate Research Fellowship under Grant No. (DGE-1258923).

  20. StrateGene: object-oriented programming in molecular biology.

    PubMed

    Carhart, R E; Cash, H D; Moore, J F

    1988-03-01

    This paper describes some of the ways that object-oriented programming methodologies have been used to represent and manipulate biological information in a working application. When running on a Xerox 1100 series computer, StrateGene functions as a genetic engineering workstation for the management of information about cloning experiments. It represents biological molecules, enzymes, fragments, and methods as classes, subclasses, and members in a hierarchy of objects. These objects may have various attributes, which themselves can be defined and classified. The attributes and their values can be passed from the classes of objects down to the subclasses and members. The user can modify the objects and their attributes while using them. New knowledge and changes to the system can be incorporated relatively easily. The operations on the biological objects are associated with the objects themselves. This makes it easier to invoke them correctly and allows generic operations to be customized for the particular object. PMID:3164229

  1. Selective-area growth of GaN nanowires on SiO2-masked Si (111) substrates by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kruse, J. E.; Lymperakis, L.; Eftychis, S.; Adikimenakis, A.; Doundoulakis, G.; Tsagaraki, K.; Androulidaki, M.; Olziersky, A.; Dimitrakis, P.; Ioannou-Sougleridis, V.; Normand, P.; Koukoula, T.; Kehagias, Th.; Komninou, Ph.; Konstantinidis, G.; Georgakilas, A.

    2016-06-01

    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 SiO2 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.

  2. Nanowire templated semihollow bicontinuous graphene scrolls: designed construction, mechanism, and enhanced energy storage performance.

    PubMed

    Yan, Mengyu; Wang, Fengchao; Han, Chunhua; Ma, Xinyu; Xu, Xu; An, Qinyou; Xu, Lin; Niu, Chaojiang; Zhao, Yunlong; Tian, Xiaocong; Hu, Ping; Wu, Hengan; Mai, Liqiang

    2013-12-01

    Graphene scrolls have been widely investigated for applications in electronics, sensors, energy storage, etc. However, graphene scrolls with tens of micrometers in length and with other materials in their cavities have not been obtained. Here nanowire templated semihollow bicontinuous graphene scroll architecture is designed and constructed through "oriented assembly" and "self-scroll" strategy. These obtained nanowire templated graphene scrolls can achieve over 30 μm in length with interior cavities between the nanowire and scroll. It is demonstrated through experiments and molecular dynamic simulations that the semihollow bicontinuous structure construction processes depend on the systemic energy, the curvature of nanowires, and the reaction time. Lithium batteries based on V3O7 nanowire templated graphene scrolls (VGSs) exhibit an optimal performance with specific capacity of 321 mAh/g at 100 mA/g and 87.3% capacity retention after 400 cycles at 2000 mA/g. The VGS also shows a high conductivity of 1056 S/m and high capacity of 162 mAh/g at a large density of 3000 mA/g with only 5 wt % graphene added which are 27 and 4.5 times as high as those of V3O7 nanowires, respectively. A supercapacitor made of MnO2 nanowire templated graphene scrolls (MGSs) also shows a high capacity of 317 F/g at 1A/g, which is over 1.5 times than that of MnO2 nanowires without graphene scrolls. These excellent energy storage capacities and cycling performance are attributed to the unique structure of the nanowire templated graphene scroll, which provides continuous electron and ion transfer channels and space for free volume expansion of nanowires during cycling. This strategy and understanding can be used to synthesize other nanowire templated graphene scroll architectures, which can be extended to other fabrication processes and fields. PMID:24219156

  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. Crystal orientation mechanism of ZnTe epilayers formed on different orientations of sapphire substrates by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Nakasu, T.; Yamashita, S.; Aiba, T.; Hattori, S.; Sun, W.; Taguri, K.; Kazami, F.; Kobayashi, M.

    2014-10-01

    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.

  5. 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. PMID:26027430

  6. 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.

  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. Reversible cyclic deformation mechanism of gold nanowires by twinning-detwinning transition evidenced from in situ TEM.

    PubMed

    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. PMID:24398783

  9. Thermal conductivity of Bi{sub 2}Te{sub 3} tilted nanowires, a molecular dynamics study

    SciTech Connect

    Li, Shen Lacroix, David; Termentzidis, Konstantinos; Chaput, Laurent; Stein, Nicolas; Frantz, Cedric

    2015-06-08

    Evidence for an excellent compromise between structural stability and low thermal conductivity has been achieved with tilted Bi{sub 2}Te{sub 3} nanowires. The latter ones were recently fabricated and there is a need in modeling and characterization. The structural stability and the thermal conductivity of Bi{sub 2}Te{sub 3} nanowires along the tilted [015]* direction and along the [010] direction have been explored. For the two configurations of nanowires, the effect of the length and the cross section on the thermal conductivity is discussed. The thermal conductivity of infinite size tilted nanowire is 0.34 W/m K, significantly reduced compared to nanowire along the [010] direction (0.59 W/m K). This reveals that in Bi{sub 2}Te{sub 3} nanowires the structural anisotropy can be as important as size effects to reduce the thermal conductivity. The main reason is the reduction of the phonon mean free path which is found to be 1.7 nm in the tilted nanowires, compared to 5.3 nm for the nanowires along the [010] direction. The fact that tilted Bi{sub 2}Te{sub 3} nanowire is mechanically stable and it has extremely low thermal conductivity suggests these nanowires as a promising material for future thermoelectric generation application.

  10. 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. PMID:16117022

  11. 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. PMID:25559370

  12. Orientation Dependence in Molecular Dynamics Simulations of Shocked Single Crystals

    SciTech Connect

    Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S.; Ravelo, Ramon

    2000-06-05

    We use multimillion-atom molecular dynamics simulations to study shock wave propagation in fcc crystals. As shown recently, shock waves along the <100> direction form intersecting stacking faults by slippage along {l_brace}111{r_brace} close-packed planes at sufficiently high shock strengths. We find even more interesting behavior of shocks propagating in other low-index directions: for the <111> case, an elastic precursor separates the shock front from the slipped (plastic) region. Shock waves along the <110> direction generate a leading solitary wave train, followed (at sufficiently high shock speeds) by an elastic precursor, and then a region of complex plastic deformation. (c) 2000 The American Physical Society.

  13. Molecular orientation of silane at the surface of colloidal silica.

    PubMed

    Söderholm, K J; Shang, S W

    1993-06-01

    The objective of this study was to investigate the silica-silane bond formation present at the filler interface of dental composites. Diffuse reflectance infrared Fourier transform spectroscopy was used, and the spectra of pyrogenic silica (Cab-O-Sil) treated with different concentrations of gamma-methacryloxypropyltrimethoxysilane (MPS) were analyzed. The outcome of the study suggested that the gamma-methacryloxypropyltrimethoxysilane (MPS) molecules oriented parallel to the colloidal silica surface (Cab-O-Sil) and formed two types of bonds. One of these bonds was a siloxane bridge formed by a condensation reaction between the silanol groups of both the silica surface and the hydrolyzed silane. Water formed during this reaction and soon became recaptured by the silanol groups of the silica surface. These water molecules were not available for additional hydrolyzation reactions of the unhydrolyzed silane under the experimental conditions. The intensity of the isolated OH-groups decreased because of this reaction. Simultaneous with the condensation reaction, the carbonyl group of the MPS molecule formed hydrogen bonds. This hydrogen bond formation resulted in a peak shift of the carbonyl band from 1718-1720 cm-1 to 1700-1702 cm-1. This hydrogen bond formation also occurred with the isolated OH-groups. After consumption of the isolated OH-groups, no additional surface reaction occurred because no further OH-groups were available for additional condensation reactions or hydrogen bond formation. The findings suggest that the amount of silane needed for filler treatment depends on the number of isolated OH-groups available on the filler surface. PMID:8388415

  14. Vacuum sublimed α ,ω-dihexylsexithiophene thin films: Correlating electronic structure and molecular orientation

    NASA Astrophysics Data System (ADS)

    Duhm, S.; Salzmann, I.; Koch, N.; Fukagawa, H.; Kataoka, T.; Hosoumi, S.; Nebashi, K.; Kera, S.; Ueno, N.

    2008-08-01

    In order to correlate the molecular orientation of organic thin films with charge injection barriers at organic/metal interfaces, the electronic structure and molecular orientation of vacuum sublimed thin films of α ,ω-dihexylsexithiophene (DH6T) on the substrates Ag(111), highly oriented pyrolytic graphite (HOPG), and tetratetracontane (TTC) precovered Ag(111) were investigated. Results from metastable atom electron spectroscopy, ultraviolet photoelectron spectroscopy, and x-ray diffraction were used to derive growth models (including molecular orientation and conformation) of DH6T on the different substrates. On Ag(111), DH6T exhibits a transition from lying molecules in the monolayer/bilayer range to almost standing upright molecules in multilayers. This is accompanied by a shift of the molecular energy levels to a lower binding energy by 0.65 eV with respect to the vacuum level. The unit cell of standing DH6T on lying DH6T on Ag(111) is estimated to be similar to the DH6T bulk phase. On HOPG, DH6T grows in the bulk phase with lying orientation, starting already from the monolayer coverage. DH6T on TTC precovered Ag(111) grows in an almost lying orientation and a conformation that allows a strong overlap of the hexyl chains of DH6T with the alkyl chains of TTC. In all cases, the electronic structure and, particulary, the ionization energy of DH6T is dependent on the orientation of DH6T, i.e., lying DH6T has higher ionization energy than standing DH6T.

  15. 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.

  16. 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.

  17. 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

  18. Control of molecular orientation in TTF TCNQ co-evaporated films by applying an electric field

    NASA Astrophysics Data System (ADS)

    Kato, N. A.; Fujimura, M.; Kuniyoshi, S.; Kudo, K.; Hara, M.; Tanaka, K.

    1998-06-01

    We have investigated the effect of an electric field on the molecular orientation of tetrathiafulvalene-tetracyanoquinodimethane (TTF-TCNQ) co-evaporated films, using an optical microscope, a scanning tunnelling microscope and X-ray diffraction. It is found that with an electric field applied TTF-TCNQ grows with the b-axis parallel to the electric field.

  19. 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

  20. Nanoextruded NbTi superconductor nanowires investigated using molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Liu, Bao-Hsin; Hsu, Quang-Cherng; Wu, Cheng-Da

    2016-04-01

    The effects of extrusion temperature, extrusion ratio, and workpiece size on the extrusion process of NbTi alloy nanowires (workpieces) are studied using the modified embedded atom method potential. The results are discussed in terms of atomic trajectories, potential energy, extrusion force, and stress. Simulation results show that the workpiece atoms near the ram lose their structural order when the extrusion process begins. The number of disordered atoms gradually increases with increasing ram displacement in order to relax the increasing pressure from the ram. The extrusion force and potential energy increase with increasing temperature. The effect of extrusion ratio dominates the extrusion force once the workpiece atoms start entering the mold opening. A large extrusion force is required for large workpieces with a small extrusion ratio; however, a small workpiece with a large extrusion ratio could lead to high peaks and a large oscillation in the force curve.

  1. 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.

  2. Conditions for high yield of selective-area epitaxy InAs nanowires on SiO x /Si(111) substrates.

    PubMed

    Robson, M T; Dubrovskii, V G; LaPierre, R R

    2015-11-20

    Experimental data and a model are presented which define the boundary values of V/III flux ratio and growth temperature for droplet-assisted nucleation of InAs semiconductor nanowires in selective-area epitaxy on SiO(x)/Si (111) substrates by molecular beam epitaxy. Within these boundaries, the substrate receives a balanced flux of group III and V materials allowing the growth of vertically oriented nanowires as compared to the formation of droplets or crystallites. PMID:26508403

  3. Controlled fabrication of DNA molecular templates for the deposition and electrical measurement of 1D metal nanowires

    NASA Astrophysics Data System (ADS)

    Barreda, Jorge; Hu, Longqian; Yu, Liuqi; Wang, Zhibin; Xia, Junfei; Guan, Jingjiao; Xiong, Peng; Guan's group Team; Xiong's group Team

    Stretched DNA nanowires (NWs) offer a convenient substrate for the fabrication and measurement of 1D metal NWs of width down to nm.So far the fabrication of the DNA templates has replied on somewhat random self-assembly processes. Here we demonstrate a process with high degree of control over the length, spacing, diameter , and orientation of the metal NWs: A one-step dewetting of a DNA solution on a PDMS stamp with an array of micropillars with well-defined pitch yields DNA NWs suspended across the micropillars along a chosen direction. The DNA NWs are then transferred via micro-contact printing onto a Si/SiO2/SiNx substrate with a lithographically fabricated trench defined by an opening in the SiNx layer and undercut in the SiO2 layer. The template with DNA NWs stretched across the trench is placed in a high-vacuum evaporator for metal deposition, resulting in a metal NW of width defined by the diameter of the DNA template (<10 nm) and length determined by the width of the trench. Quasi-four terminal I-V measurements are performed in situ with incremental metal deposition. Concomitant with a transition from strongly nonlinear IV to Ohmic behavior with increasing thickness, the NW resistance is observed to decrease exponentially.

  4. Coaxial nanowire resonant tunneling diodes from non-polar AlN/GaN on silicon

    NASA Astrophysics Data System (ADS)

    Carnevale, S. D.; Marginean, C.; Phillips, P. J.; Kent, T. F.; Sarwar, A. T. M. G.; Mills, M. J.; Myers, R. C.

    2012-04-01

    Resonant tunneling diodes are formed using AlN/GaN core-shell nanowire heterostructures grown by plasma assisted molecular beam epitaxy on n-Si(111) substrates. By using a coaxial geometry, these devices take advantage of non-polar (m-plane) nanowire sidewalls. Device modeling predicts non-polar orientation should enhance resonant tunneling compared to a polar structure, and that AlN double barriers will lead to higher peak-to-valley current ratios compared to AlGaN barriers. Electrical measurements of ensembles of nanowires show negative differential resistance appearing only at cryogenic temperature. Individual nanowire measurements show negative differential resistance at room temperature with peak current density of 5 × 105 A/cm2.

  5. Chemical vapor deposition graphene as structural template to control interfacial molecular orientation of chloroaluminium phthalocyanine

    NASA Astrophysics Data System (ADS)

    Ying Mao, Hong; Wang, Rui; Wang, Yu; Chao Niu, Tian; Qiang Zhong, Jian; Yang Huang, Ming; Chen Qi, Dong; Ping Loh, Kian; Thye Shen Wee, Andrew; Chen, Wei

    2011-08-01

    Chemical vapor deposition (CVD) graphene has been used as an effective structural template to manipulate molecular orientation of organic thin film of chloroaluminium phthalocyanine (ClAlPc) on indium tin oxide (ITO) electrode. As revealed by in-situ near-edge x-ray adsorption fine structure measurement, ClAlPc molecules on the CVD graphene modified ITO electrode adopt a well-aligned lying-down configuration with their molecular π-plane nearly parallel to the electrode surface, in contrast to the random orientation of ClAlPc molecules on the bare ITO electrode. This lying-down configuration results in an optimized stacking of the molecular π-plane perpendicular to the electrode surface and hence facilitates efficient charge transport along this direction.

  6. 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

  7. Following the nanostructural molecular orientation guidelines for sulfur versus thiophene units in small molecule photovoltaic cells.

    PubMed

    Kim, Yu Jin; Park, Chan Eon

    2016-03-31

    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 that contain the alkylthio group and that does not. The improved performance of the -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. PMID:26987868

  8. Role of molecular orientational anisotropy in the chiral resolution of enantiomers in adsorbed overlayers.

    PubMed

    Szabelski, Paweł; Woszczyk, Aleksandra

    2012-07-31

    Separation of chiral molecules using achiral inputs is an interesting alternative to traditional techniques based on the chiral recognition mechanism. In this article we propose a lattice gas Monte Carlo model of two-dimensional chiral segregation induced by breaking of molecular orientational symmetry. Simulations were performed on a square lattice for rigid chain molecules composed of four and five identical segments. Mirror-image flat chain conformations resulting in different enantiomeric pairs were considered for each probe molecule. The enantiomers were assumed to interact via short-ranged segment-segment interaction potential limited to nearest neighbors on the lattice. We considered two qualitatively different situations in which (1) the molecules were allowed to rotate on the surface and adopt any of the four planar orientations and (2) the rotation was blocked, so that only one planar orientation was possible. The results obtained for the racemic overlayers showed clearly that the orientational symmetry breaking can induce spontaneous segregation of the enantiomers into large enantiopure domains. However, this effect was observed only for molecules with sufficiently long linear fragment. In the case of kinked bulky molecules a mixed assembly was formed, demonstrating the role of molecular shape in the orientationally biased segregation of enantiomers in adsorbed films. The insights from this study can be useful in developing strategies for 2D chiral separations in which external directional fields are used. PMID:22747234

  9. 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. PMID:22889019

  10. Precise Characterisation of Molecular Orientation in a Single Crystal Field-Effect Transistor Using Polarised Raman Spectroscopy.

    PubMed

    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

  11. 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

  12. Molecular dynamic simulation of stress evolution analysis in Cu nanowire under ultra-high strain-rate simple tension

    NASA Astrophysics Data System (ADS)

    Lin, Yuan-Ching; Pen, Dar-Jen; Chen, Jiun-Nan

    2014-04-01

    This study analyses the behaviour of atoms associated with the propagation of stress waves in Cu nanowires (NWs) during uniaxial tensile deformation using molecular dynamic simulation. Maximum local stress (MLS) and virial stress (VS) methods are adopted to express dynamic stress in ⟨100⟩ Cu NWs under tension. Simulation results indicated that the VS method enhances the averaging effect at ultra-high strain rates (above 1010 s-1), leading to serious undervaluation of yield stress. However, the MLS method provides superior prediction results for the dynamic mechanical responses of NWs under tension at the ultra-high strain rate than does the VS. At a strain rate of 7 × 1010 s-1, the double-peak stress phenomenon was observed in the stress-strain curve using the MLS method. The response time (Trs) to wave propagation, observed at an ultra-high strain rate, is responsible for the accumulation of the elastic stress that is applied at the beginning of tensile loading in a short period, producing the first stress peak. Following plastic deformation, the encounter of the wavefronts with the reduced tensile stress causes the fully constructive interference effect in the middle of the tensile NWs, producing the second stress peak. The results explain the dynamic mechanical behaviour of NWs, contributing to future applications of subsonic manufacturing.

  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. 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.

  16. Anisotropic Molecular Orientation of Poly [4, 4'-oxydiphenylene- 1, 2, 3, 4-cyclobutanetetracarboximide] Films Irradiated by Linearly Polarized UV Light

    NASA Astrophysics Data System (ADS)

    Sakamoto, Kenji; Usami, Kiyoaki; Araya, Takeshi; Ushioda, Sukekatsu

    1999-12-01

    We have investigated the anisotropic molecular orientation of poly [4, 4'-oxydiphenylene-1, 2, 3, 4-cyclobutanetetracarboximide] (CBDA-ODA) films induced by irradiation with linearly polarized ultraviolet light (LPUVL). The molecular orientation was monitored by measuring the polarized infrared (IR) absorption spectra of a 10-nm-thick film. The anisotropy of the molecular orientation exceeded that of a rubbed film with the same film thickness. From the LPUVL exposure dependence of IR absorption we found that preferential cleavage occurs to the cyclobutane ring in the polyimide backbone structure oriented parallel to the polarization direction of LPUVL. Then the orientation of the cleaved polyimide molecule is randomized. We conclude that the large anisotropy of the LPUVL-exposed film is caused by the anisotropic cleavage of the cyclobutane rings and the orientational randomization of the cleaved polyimide molecules.

  17. Dynamics of Molecular Orientation Observed Using Angle Resolved Photoemission Spectroscopy during Deposition of Pentacene on Graphite.

    PubMed

    Park, Sang Han; Kwon, Soonnam

    2016-04-19

    A real-time method to observe both the structural and the electronic configuration of an organic molecule during deposition is reported for the model system of pentacene on graphite. Structural phase transition of the thin films as a function of coverage is monitored by using in situ angle resolved photoemission spectroscopy (ARPES) results to observe the change of the electronic configuration at the same time. A photoemission theory that uses independent atomic center approximations is introduced to identify the molecular orientation from the ARPES technique. This study provides a practical insight into interpreting ARPES data regarding dynamic changes of molecular orientation during initial growth of molecules on a well-defined surface. PMID:26999332

  18. Self-assembly and separation of nematic colloids through photo-patterned molecular orientation

    NASA Astrophysics Data System (ADS)

    Peng, Chenhui; Guo, Yubing; Conklin, Christopher; Viñals, Jorge; Shiyanovskii, Sergij; Wei, Qi-Huo; Lavrentovich, Oleg; Oleg D. Lavrentovich Team; Jorge Viñals Collaboration

    Design and control of particles self-assembly is an important theme in colloidal science. Dispersions of colloids in a nematic liquid crystal (LC) show a diversity of self-assembled structures guided by long-range interactions. Here we describe a versatile approach to control colloidal structures through surface-patterned molecular orientation and dynamic processes of LC-enabled electrokinetics (LCEK). In presence of the electric field, the surface-imprinted pattern of molecular orientation triggers LCEK flows which transport the colloidal aggregates to specified locations. The aggregation is directed by the director gradients. Colloids that differ in surface anchoring or shape are guided into different areas of the cell, thus being sorted. The dynamic approach to control colloidal systems through LCEK in cells with patterned director field opens the opportunities in the microfluidic and lab on a chip applications. This work was supported by NSF grants DMR-1507637 , DMS-1434185 and CMMI-1436565.

  19. Controlling Nanostructures by Templated Templates: Inheriting Molecular Orientation in Binary Heterostructures.

    PubMed

    Breuer, Tobias; Witte, Gregor

    2015-09-16

    Precise preparation strategies are required to fabricate molecular nanostructures of specific arrangement. In bottom-up approaches, where nanostructures are gradually formed by piecing together individual parts to the final structure, the self-ordering mechanisms of the involved structures are utilized. In order to achieve the desired structures regarding morphology, grain size, and orientation of the individual moieties, templates can be applied, which influence the formation process of subsequent structures. However, this strategy is of limited use for complex architectures because the templates only influence the structure formation at the interface between the template and the first compound. Here, we discuss the implementation of so-called templated templates and analyze to what extent orientations of the initial layers are inherited in the top layers of another compound to enable structural control in binary heterostructures. For that purpose, we prepared crystalline templates of the organic semiconductors pentacene and perfluoropentacene in different exclusive orientations. We observe that for templates of both individual materials the molecular orientation is inherited in the top layers of the respective counterpart. This behavior is also observed for various other molecules, indicating the robustness of this approach. PMID:26305339

  20. 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.

  1. High-Throughput Analysis of Molecular Orientation on Surfaces by NEXAFS Imaging of Curved Sample Arrays

    PubMed Central

    Baio, Joe E.; Jaye, Cherno; Fischer, Daniel A.; Weidner, Tobias

    2015-01-01

    Near-edge X-ray absorption fine structure (NEXAFS) spectroscopy provides detailed information about the orientation and alignment of thin films. NEXAFS is a synchrotron-based technique—the availability of beam-time per user is typically limited to no more than a few weeks per year. The limited availability is currently a true barrier for using NEXAFS in combinatorial studies of molecular alignment. We have recently demonstrated how large area full field NEXAFS imaging allows users to pursue combinatorial studies of surface chemistry. Now we report an extension of this approach which allows the acquisition of orientation information from a single NEXAFS image. An array with 80 elements (samples), containing eight series of different surface modifications, was mounted on a curved substrate allowing the collection of NEXAFS spectra with a range of orientations with respect to the X-ray beam. Images collected from this array show how hyperspectral NEXAFS data collected from curved surfaces can be used for high-throughput molecular orientation analysis. PMID:25046426

  2. Extended orientational correlation study for molecular liquids containing distorted tetrahedral molecules: application to methylene halides.

    PubMed

    Pothoczki, Szilvia; Temleitner, László; Pusztai, László

    2010-04-28

    The method of Rey [Rey, J. Chem. Phys. 126, 164506 (2007)] for describing how molecules orient toward each other in systems with perfect tetrahedral molecules is extended to the case of distorted tetrahedral molecules of c(2v) symmetry by means of introducing 28 subgroups. Additionally, the original analysis developed for perfect tetrahedral molecules, based on six groups, is adapted for molecules with imperfect tetrahedral shape. Deriving orientational correlation functions have been complemented with detailed analyses of dipole-dipole correlations. This way, (up to now) the most complete structure determination can be carried out for such molecular systems. In the present work, these calculations have been applied for particle configurations resulting from reverse Monte Carlo computer modeling. These particle arrangements are fully consistent with structure factors from neutron and x-ray diffraction measurements. Here we present a complex structural study for methylene halide (chloride, bromide, and iodide) molecular liquids, as possibly the best representative examples. It has been found that the most frequent orientations of molecules are of the 2:2 type over the entire distance range in these liquids. Focusing on the short range orientation, neighboring molecules turn toward each other with there "H,Y"-"H,Y" (Y: Cl, Br, I) edges, apart from CH(2)Cl(2) where the H,H-H,Cl arrangement is the most frequent. In general, the structure of methylene chloride appears to be different from the structure of the other two liquids. PMID:20441292

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. Long-range orientational order, local-field anisotropy, and mean molecular polarizability in liquid crystals

    SciTech Connect

    Aver'yanov, E. M.

    2009-01-15

    The problems on the relation of the mean effective molecular polarizability {gamma}-bar to the long-range orientational order of molecules (the optical anisotropy of the medium) in uniaxial and biaxial liquid crystals, the local anisotropy on mesoscopic scales, and the anisotropy of the Lorentz tensor L and the local-field tensor f are formulated and solved. It is demonstrated that the presence of the long-range orientational order of molecules in liquid crystals imposes limitations from below on the molecular polarizability {gamma}-bar, which differs for uniaxial and biaxial liquid crystals. The relation between the local anisotropy and the molecular polarizability {gamma}-bar is investigated for calamitic and discotic uniaxial liquid crystals consisting of lath- and disk-shaped molecules. These liquid crystals with identical macroscopic symmetry differ in the local anisotropy and the relationships between the components L{sub parallel} < L{sub perpendicular} , f{sub parallel} < f{sub perpendicular} (calamitic) and L{sub parallel} > L{sub perpendicular} , f{sub parallel} > f{sub perpendicular} (discotic) for an electric field oriented parallel and perpendicular to the director. The limitations from below and above on the molecular polarizability {gamma}-bar due to the anisotropy of the tensors L and f are established for liquid crystals of both types. These limitations indicate that the molecular polarizability {gamma}-bar depends on the phase state and the temperature. The factors responsible for the nonphysical consequences of the local-field models based on the approximation {gamma}-bar = const are revealed. The theoretical inferences are confirmed by the experimental data for a number of calamitic nematic liquid crystals with different values of birefringence and the discotic liquid crystal Col{sub ho}.

  8. Enhanced plasmonic properties of gold-catalysed semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Naumenko, Denys; Zannier, Valentina; Grillo, Vincenzo; Cassese, Damiano; Priante, Giacomo; Dal Zilio, Simone; Rubini, Silvia; Lazzarino, Marco

    2014-10-01

    A key challenge for the development of plasmonic nanodevices is their integration into active semiconducting structures. Gold-catalysed semiconductor nanowires are promising candidates for their bottom-up growth process that aligns a single gold nanoparticle at each nanowire apex. Unfortunately these show extremely poor plasmonic properties. In this work, we propose a way to enhance their plasmonic resonance up to those of ideal and isolated gold nanoparticles. A suitable purification protocol compatible with GaAs and ZnSe molecular beam epitaxy of nanowires is used to produce plasmonic active nanowires, which were used to enhance the Raman signal of pentacene and graphene oxide. Enhancement factors up to three orders of magnitude are demonstrated.A key challenge for the development of plasmonic nanodevices is their integration into active semiconducting structures. Gold-catalysed semiconductor nanowires are promising candidates for their bottom-up growth process that aligns a single gold nanoparticle at each nanowire apex. Unfortunately these show extremely poor plasmonic properties. In this work, we propose a way to enhance their plasmonic resonance up to those of ideal and isolated gold nanoparticles. A suitable purification protocol compatible with GaAs and ZnSe molecular beam epitaxy of nanowires is used to produce plasmonic active nanowires, which were used to enhance the Raman signal of pentacene and graphene oxide. Enhancement factors up to three orders of magnitude are demonstrated. Electronic supplementary information (ESI) available: SEM characterization of: (i) transferred ZnSe NWs onto the glass substrates, (ii) etched gold NPs of ZnSe NWs in Ar+ plasma, and (iii) self-catalysed GaAs NWs. Simulation of extinction spectra. Statistical characterization of plasmon-active sites at the focal plane with a length of NWs. Photoluminescence on ZnSe NWs. B3g Raman mode of pentacene as an indicator of molecule orientation. The dependence of graphene oxide Raman

  9. 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.

  10. Two-step fabrication of self-catalyzed Ga-based semiconductor nanowires on Si by molecular-beam epitaxy

    NASA Astrophysics Data System (ADS)

    Yu, Xuezhe; Li, Lixia; Wang, Hailong; Xiao, Jiaxing; Shen, Chao; Pan, Dong; Zhao, Jianhua

    2016-05-01

    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.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

  11. 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.

  12. 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.

  13. 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.

  14. Transient molecular orientation and rheology in flow aligning thermotropic liquid crystalline polymers

    SciTech Connect

    Ugaz, Victor M.; Burghardt, Wesley R.; Zhou, Weijun; Kornfield, Julia A.

    2001-09-01

    Quantitative measurements of molecular orientation and rheology are reported for various transient shear flows of a nematic semiflexible copolyether. Unlike the case of lyotropic liquid crystalline polymers (LCPs), whose structure and rheology in shear are dominated by director tumbling, this material exhibits flow aligning behavior. The observed behavior is quite similar to that seen in a copolyester that we have recently studied [Ugaz and Burghardt (1998)], suggesting that flow aligning dynamics may predominate in main-chain thermotropes that incorporate significant chain flexibility. Since the flow aligning regime has received little attention in previous attempts to model the rheology of textured, polydomain LCPs, we attempt to determine whether available models are capable of predicting the orientation and stress response of this class of LCP. We first examine the predictions of the polydomain Ericksen model, an adaptation of Ericksen's transversely isotropic fluid model which accounts for the polydomain distribution of director orientation while neglecting distortional elasticity. This simple model captures a number of qualitative and quantitative features associated with the evolution of orientation and stress during shear flow inception, but cannot cope with reversing flows. To consider the possible role of distortional elasticity in the re-orientation dynamics upon reversal, we evaluate the mesoscopically averaged domain theory of Larson and Doi [Larson and Doi (1991)], which incorporates a phenomenological description of distortional elastic effects. To date, their approach to account for polydomain structure has only been applied to describe tumbling LCPs. We find that it captures the qualitative transient orientation response to flow reversals, but is less successful in describing the evolution of stresses. This is linked to the decoupling approximation adopted during the model's development. Finally, a modified polydomain Ericksen model is introduced

  15. Stress effects on the initial lithiation of crystalline silicon nanowires: reactive molecular dynamics simulations using ReaxFF.

    PubMed

    Ostadhossein, Alireza; Cubuk, Ekin D; Tritsaris, Georgios A; Kaxiras, Efthimios; Zhang, Sulin; van Duin, Adri C T

    2015-02-01

    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. Herein, 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. 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. PMID:25559797

  16. 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.

  17. Stress effects on the initial lithiation of crystalline silicon nanowires: Reactive molecular dynamics simulations using ReaxFF

    DOE PAGESBeta

    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 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

  18. Structural and optical properties of InGaN--GaN nanowire heterostructures grown by molecular beam epitaxy

    DOE PAGESBeta

    Limbach, F.; Gotschke, T.; Stoica, T.; Calarco, R.; Sutter, E.; Ciston, J.; Cusco, R.; Artus, L.; Kremling, S.; Hofling, S.; et al

    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

  19. 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. PMID:27194599

  20. 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.

  1. 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. PMID:26837391

  2. Magneto-transport properties of InAs nanowires laterally-grown by selective area molecular beam epitaxy on GaAs (110) masked substrates

    SciTech Connect

    Akabori, M.; Yamada, S.

    2013-12-04

    We prepared InAs nanowires (NWs) by lateral growth on GaAs (110) masked substrates in molecular beam epitaxy. We measured magneto-transport properties of the InAs NWs. In spite of parallel-NW multi-channels, we observed fluctuating magneto-conductance. From the fluctuation, we evaluated phase coherence length as a function of measurement temperature, and found decrease in the length with increase in the temperature. We also evaluate phase coherence length as a function of gate voltage.

  3. 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.

  4. 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.

  5. Bond orientation properties in lipid molecules of membranes: molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Rabinovich, Alexander L.; Lyubartsev, Alexander P.

    2014-05-01

    Atomistic molecular dynamics simulations have been carried out for 16 different fully hydrated phosphatidylcholine lipid bilayers, having 16 or 18 carbon atoms in fully saturated sn - 1 chain and from 18 to 22 carbon atoms in sn - 2 chain with different degree of unsaturation, with the purpose to investigate the effect of unsaturation on physical properties of lipid bilayers. Special attention has been paid to profiles of C-C and C-H bond order parameters of lipid molecules and the orientational fluctuations of these bond vectors. It was shown that the study of anisotropy degree of bond orientations probability distributions allows distinguishing extended regions with different types of angular fluctuations of bonds in a membrane formed by lipid molecules with unsaturated chains.

  6. 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.

  7. Highly sensitive and doubly orientated selective molecularly imprinted electrochemical sensor for Cu(2.).

    PubMed

    Li, Jianping; Zhang, Lianming; Wei, Ge; Zhang, Yun; Zeng, Ying

    2015-07-15

    Studies on molecularly imprinted electrochemical sensors for metal ions determination have been widely reported. However, the sensitivity and selectivity of the sensors needs to be improved urgently. In the current work, a novel molecularly imprinted electrochemical sensor was originally developed for selective determination of ultratrace Cu(2+) by combining the metal-ligand chelate orientated recognition with enzyme amplification effect. The detection relied on a competition reaction between Cu(2+)-glycine (Cu-Gly) and horse radish peroxidase (HRP)-labeled Cu-Gly on the imprinted polymer membrane modified electrode. The sensitivity of this sensor was promoted by enzyme amplification. Selectivity was improved by the double-specificity derived from ligand-to-metal ion and metal-ligand chelate orientated recognition of 3D imprinted cavities. This technique was quantitatively sensitive to Cu(2+) concentrations ranging from 0.5nmol/L to 30nmol/L, with a detection limit of 42.4pmol/L. which was lower than those in most of the reported methods. The allowable amounts of interference ions were higher when it compared to other common molecularly imprinted sensors. Moreover, the results of assaying several real samples have proven its feasibility for practical applications. PMID:25771304

  8. Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

    SciTech Connect

    Dahms, Sven O. Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E.

    2013-02-01

    A new approach is presented that allows the efficient localization and orientation of heavy-atom cluster compounds used in experimental phasing by a molecular replacement procedure. This permits the calculation of meaningful phases up to the highest resolution of the diffraction data. 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.

  9. Manganese oxide nanowires, films, and membranes and methods of making

    SciTech Connect

    Suib, Steven Lawrence; Yuan, Jikang

    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.

  10. 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.

  11. 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.

  12. 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

  13. Rotating-polarization CARS microscopy: combining chemical and molecular orientation sensitivity.

    PubMed

    de Vito, Giuseppe; Bifone, Angelo; Piazza, Vincenzo

    2012-12-31

    Coherent Anti-Stokes Raman Spectroscopy (CARS) is a non-linear process in which the energy difference of a pair of incoming photons matches the energy of the vibrational mode of a molecular bond of interest. This phonon population is coherently probed by a third photon and anti-Stokes radiation is emitted. Here a novel approach to CARS microscopy is presented yielding the intensity of the anti-Stokes emission, the directionality the molecular bonds of interest, and their average orientation. Myelinated axons in fixed mouse-brain slices have been imaged by RP-CARS. We were able to detect the local average direction of the acylic chains of membrane phospholipids and their spatial anisotropy. This novel method may impact the study of healthy brain circuitry as well as demyelinating diseases or other pathological states associated with altered neural connectivity. PMID:23388764

  14. 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.

  15. Influence of crystallographic orientation and anisotropy on Kapitza conductance via classical molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Duda, J. C.; Kimmer, C. J.; Soffa, W. A.; Zhou, X. W.; Jones, R. E.; Hopkins, P. E.

    2012-11-01

    We investigate the influence of crystallographic orientation and anisotropy on local phonon density of states, phonon transmissivity, and Kapitza conductance at interfaces between Lennard-Jones solids via classical molecular dynamics simulations. In agreement with prior works, we find that the Kapitza conductance at an interface between two face-centered cubic materials is independent of crystallographic orientation. On the other hand, at an interface between a face-centered cubic material and a tetragonal material, the Kapitza conductance is strongly dependent on the relative orientation of the tetragonal material, albeit this dependence is subject to the overlap in vibrational spectra of the cubic and tetragonal materials. Furthermore, we show that interactions between acoustic phonons in the cubic material and optical phonons in the tetragonal material can lead to the interface exhibiting greater "thermal anisotropy" as compared to that of the constituent materials. Finally, it is noted that the relative match or mismatch between the Debye temperatures of two materials comprising an interface does not serve an accurate gauge of the efficiency of interfacial thermal transport when those materials have different crystal structures.

  16. Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

    PubMed Central

    Dahms, Sven O.; Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E.

    2013-01-01

    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. PMID:23385464

  17. In vitro reconstruction of hybrid arterial media with molecular and cellular orientations.

    PubMed

    Kanda, K; Matsuda, T

    1994-01-01

    A hybrid medial tissue composed of a type I collagen gel, into which smooth muscle cells (SMCs) derived from bovine aortic media were 3-dimensionally (3D) embedded, was constructed around an elastomeric silicone tube (outer diameter: 8 mm). Subsequently, hybrid tissues thus prepared were subjected to three modes of mechanical stimulation in the medium: one was subjected to flotation with no disturbance (isotonic control), the second was kept isometrically (static stress) and the third was subjected to continuous periodic stretch by inflation of the embedded silicone tube which stimulated arterial pulsation (dynamic stress, amplitude: 5% in inner diameter; frequency: 60 RPM). After a 5-day culture period, hybrid tissues were morphologically investigated. In control gels, polygonal SMCs and extracellular collagen fiber bundles were randomly oriented. On the other hand, upon static or dynamic stress loading, bipolar spindle-shaped SMCs and dense collagen fiber bundles were aligned circumferentially around the silicone tube, which proceeded with time. The orientations of SMCs and collagen fibers were more prominent in dynamically stressed hybrid tissues than those in statistically stressed ones. The pulsatile stress-loaded hybrid medial tissue mimicked the media of native muscular arteries in terms of cellular and molecular orientations. PMID:7881764

  18. Electron diffraction studies of molecular ordering and orientation in phospholipid monolayer domains.

    PubMed Central

    Hui, S W; Yu, H

    1993-01-01

    The molecular order and orientation of phase separated domains in monolayers of DP(Me)PE and DP(Me)2PE were determined by electron diffraction. Dark and bright fluorescent domains at the air-water interface were observed by fluorescence microscopy. The monolayers were transferred to Formvar coated electron microscope grids for electron diffraction studies. The positions of domains on the marker grids were recorded in fluorescence micrographs, which were used as guide maps to locate these domains in the electron microscope. Selected area electron diffraction patterns were obtained from predetermined areas within and outside the dark domains. Sharp hexagonal diffraction patterns were recorded from dark domains, and diffuse diffraction rings from bright areas in between dark domains. The diffraction results indicated that the dark domains and bright areas were comprised of lipid molecules in solid and fluid states, respectively. The orientation of diffraction patterns from adjacent locations within a dark domains changed gradually, indicating a continuous bending of the molecular packing lattice vector within these domains. Orientation directors in U-shaped DP(Me)2PE domains followed the turn of the arm; no vortex nor branching was indicated by electron diffraction. Directors branching from the "stem" of highly invaginated DP(Me)PE domains usually occurred at twinning angles of n pi/3 from the stem director, which would minimize packing defects in the development of thinner branches. Electron diffraction from local areas of individual domains proved that dark fluorescent domains were solid ones, and that pseudo-long range order existed in these solid domains. Images FIGURE 1 FIGURE 2 FIGURE 3 FIGURE 4 FIGURE 5 FIGURE 6 FIGURE 7 FIGURE 8 PMID:8431539

  19. 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.

  20. The Role of Molecular Dipole Orientation in Single-Molecule Fluorescence Microscopy and Implications for Super-Resolution Imaging

    PubMed Central

    Backlund, Mikael P.; Lew, Matthew D.; Backer, Adam S.; Sahl, Steffen J.

    2014-01-01

    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. PMID:24382708

  1. 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. PMID:27001507

  2. 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.

  3. 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.

  4. A route to fabricate single crystalline bismuth nanowire arrays with different diameters

    NASA Astrophysics Data System (ADS)

    Li, Liang; Zhang, Yong; Li, Guanghai; Zhang, Lide

    2003-09-01

    Single crystalline bismuth nanowire arrays in anodic alumina membrane have been fabricated by pulsed electrodeposition. The nanowires of different diameters were obtained by changing the electrical parameter of the pulsed electrodeposition using anodic alumina membrane as template with the same pore size. X-ray diffraction and TEM analysis show that the bismuth nanowires are single crystalline with highly preferential orientation, and the diameter of nanowires increases with increasing the relaxation time of pulse. The growth mechanism of nanowires was discussed.

  5. Molecular organization, localization and orientation of antifungal antibiotic amphotericin B in a single lipid bilayer.

    PubMed

    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

  6. 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.

  7. 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

  8. 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.

  9. Highly aligned vertical GaN nanowires using submonolayer metal catalysts

    DOEpatents

    Wang, George T.; Li, Qiming; Creighton, J. Randall

    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. 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.

  11. 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.

  12. 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.

  13. Negative impact of oxygen molecular activation on Cr(VI) removal with core-shell Fe@Fe2O3 nanowires.

    PubMed

    Mu, Yi; Wu, Hao; Ai, Zhihui

    2015-11-15

    In this study, we demonstrate that the presence of oxygen molecule can inhibit Cr(VI) removal with core-shell Fe@Fe2O3 nanowires at neutral pH of 6.1. 100% of Cr(VI) removal was achieved by the Fe@Fe2O3 nanowires within 60 min in the anoxic condition, in contrast, only 81.2% of Cr(VI) was sequestrated in the oxic condition. Removal kinetics analysis indicated that the presence of oxygen could inhibit the Cr(VI) removal efficiency by near 3 times. XRD, SEM, and XPS analysis revealed that either the anoxic or oxic Cr(VI) removal was involved with adsorption, reduction, co-precipitation, and re-adsorption processes. More Cr(VI) was bound in a reduced state of Cr(III) in the anoxic process, while a thicker Cr(III)/Fe(III)/Cr(VI) oxyhydroxides shell, leading to inhibiting the electron transfer, was found under the oxic process. The negative impact of oxygen molecule was attributed to the oxygen molecular activation which competed with Cr(VI) adsorbed for the consumption of donor electrons from Fe(0) core and ferrous ions bound on the iron oxides surface under the oxic condition. This study sheds light on the understanding of the fate and transport of Cr(VI) in oxic and anoxic environment, as well provides helpful guide for optimizing Cr(VI) removal conditions in real applications. PMID:25988715

  14. 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.

  15. 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

  16. Impact of molecular orientation on thermal conduction in linear-chain polymer films

    SciTech Connect

    Kurabayashi, K.; Goodson, K.E.

    1999-07-01

    Polymer films are serving as passive regions in fast logic circuits and as active regions in organic optoelectronic devices, such as light-emitting diodes. Recent data illustrated the strong anisotropy in the thermal conductivity of polyimide films of thickness near one micrometer, with the in-plane value larger by a factor of approximately five. This manuscript extends previous theoretical work on heat conduction in stretched bulk polymers to model the conductivity anisotropy in linear-chain polymer films. Predictions are based on the standard deviation of the angle of molecular orientation with respect to the film in-plane direction, which can be investigated using birefringence data, and the expected conductivity anisotropy in a material with perfectly-aligned strands. The modeling and previous data indicate that the anisotropy factor could increase to a value larger than 10 for polyimide films much thinner than 1 micrometer.

  17. Field-free molecular orientation of 1Σ and 2Π molecules at high temperature

    NASA Astrophysics Data System (ADS)

    Tehini, R.; Hoque, Md Z.; Faucher, O.; Sugny, D.

    2012-04-01

    We analyze the control of field-free molecular orientation at high temperature by use of a two-color laser bipulse strategy proposed in Zhang [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.83.043410 83, 043410 (2011)]. A general study shows that there exist two types of linear molecules for which a different mechanism has to be used. For molecules with a large hyperpolarizability, a monochromatic laser pre-pulse is applied before the two-color laser pulse at a time close to the rotational period Tr, while for molecules with a small hyperpolarizability, the optimal delay is found close to Tr/4 or 3Tr/4. We extend this analysis to the case of a 2Π molecule such as NO where a similar control strategy can be derived. These control processes are robust against temperature effects.

  18. 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. PMID:25793330

  19. Nuclear quadrupole spin-lattice relaxation due to molecular reorientations in crystals with orientational disorder

    NASA Astrophysics Data System (ADS)

    Meriles, C. A.; Pérez, S. C.; Brunetti, A. H.

    1997-08-01

    p-chloronitrobenzene (PCNB) and p-chlorobromobenzene (PCBB) crystallize in the centrosymmetric space group P21/c with two molecules per unit cell. The space lattice will have an equal number of points with molecules facing in opposite directions. As a consequence, these compounds exhibit an orientational rigid disorder. In this work, we have measured the temperature dependence of the chlorine nuclear quadrupole spin-lattice relaxation time (T1), linewidth, and resonance frequency for both compounds for temperatures higher than 80 K. Both compounds exhibit an inhomogeneously broadened line shape and a "normal" Bayer-type temperature dependence of the resonance frequency. The analysis focuses on the identification of the dominant relaxation process at high temperatures (T>240 K in PCNB and T>260 K in PCBB). It is shown that T1(T) reflects the existence of 180° molecular reorientations through a modulation of the crystalline contribution to the electric field gradient.

  20. Lightweight Object Oriented Structure analysis: Tools for building Tools to Analyze Molecular Dynamics Simulations

    PubMed Central

    Romo, Tod D.; Leioatts, Nicholas; Grossfield, Alan

    2014-01-01

    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 120 pre-built tools, including suites of tools for analyzing simulation convergence, 3D histograms, and elastic network models. Through modern C++ design, LOOS is both simple to develop with (requiring knowledge of only 4 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. PMID:25327784

  1. Liquid crystals with patterned molecular orientation as an electrolytic active medium.

    PubMed

    Peng, Chenhui; Guo, Yubing; Conklin, Christopher; Viñals, Jorge; Shiyanovskii, Sergij V; Wei, Qi-Huo; Lavrentovich, Oleg D

    2015-11-01

    Transport of fluids and particles at the microscale is an important theme in both fundamental and applied science. One of the most successful approaches is to use an electric field, which requires the system to carry or induce electric charges. We describe a versatile approach to generate electrokinetic flows by using a liquid crystal (LC) with surface-patterned molecular orientation as an electrolyte. The surface patterning is produced by photoalignment. In the presence of an electric field, the spatially varying orientation induces space charges that trigger flows of the LC. The active patterned LC electrolyte converts the electric energy into the LC flows and transport of embedded particles of any type (fluid, solid, gaseous) along a predesigned trajectory, posing no limitation on the electric nature (charge, polarizability) of these particles and interfaces. The patterned LC electrolyte exhibits a quadratic field dependence of the flow velocities; it induces persistent vortices of controllable rotation speed and direction that are quintessential for micro- and nanoscale mixing applications. PMID:26651712

  2. Liquid crystals with patterned molecular orientation as an electrolytic active medium

    NASA Astrophysics Data System (ADS)

    Peng, Chenhui; Guo, Yubing; Conklin, Christopher; Viñals, Jorge; Shiyanovskii, Sergij V.; Wei, Qi-Huo; Lavrentovich, Oleg D.

    2015-11-01

    Transport of fluids and particles at the microscale is an important theme in both fundamental and applied science. One of the most successful approaches is to use an electric field, which requires the system to carry or induce electric charges. We describe a versatile approach to generate electrokinetic flows by using a liquid crystal (LC) with surface-patterned molecular orientation as an electrolyte. The surface patterning is produced by photoalignment. In the presence of an electric field, the spatially varying orientation induces space charges that trigger flows of the LC. The active patterned LC electrolyte converts the electric energy into the LC flows and transport of embedded particles of any type (fluid, solid, gaseous) along a predesigned trajectory, posing no limitation on the electric nature (charge, polarizability) of these particles and interfaces. The patterned LC electrolyte exhibits a quadratic field dependence of the flow velocities; it induces persistent vortices of controllable rotation speed and direction that are quintessential for micro- and nanoscale mixing applications.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. Molecular Insights into Aqueous NaCl Electrolytes Confined within Vertically-oriented Graphenes.

    PubMed

    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

  8. 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

  9. Toward understanding the influence of intermolecular interactions and molecular orientation on the chemical enhancement of SERS.

    PubMed

    Cabalo, Jerry; Guicheteau, Jason A; Christesen, Steven

    2013-09-19

    Implementation of SERS as an analytical technique is limited because the factors that govern the enhancement of individual vibrational modes are not well understood. Although the chemical effect only accounts for up to two orders of magnitude enhancement, it can still have a significant impact on the consistency of chemical spectral signatures. We report on a combined theoretical and experimental study on the benzenethiol on silver and 4-mercaptophenol on silver systems. The primary and unique finding was that for the benzenethiol on silver system the inclusion of interaction between multiple benzenethiol analyte molecules was essential to account for the relative enhancements observed experimentally. An examination of the molecular orbitals showed sharing of electron density across the entire model of multiple benzenethiol molecules mediated by the metal atoms. The addition of multiple 4-mercaptophenol molecules to the theoretical model had little effect on the predicted spectra, and we attribute this to the fact that a much larger model is necessary to replicate the networks of hydrogen bonds. Molecular orientation was also found to affect the predicted spectra, and it was found that an upright position improved agreement between theoretical and experimental spectra. An analysis of the vibrational frequency shifts between the normal Raman spectrum of the neat compound and the SERS spectrum also suggests that both benzenethiol and 4-mercaptophenol are in an upright position. PMID:23961762

  10. Molecular Orientation of Hydroquinone Adsorbed at a Platinum(111) Thin-Layer Electrode.

    PubMed

    Ren; Hubbard

    1999-01-15

    Reported are new findings regarding the molecular orientation of hydroquinone (HQ) adsorbed on Pt surfaces. The packing density of hydroquinone adsorbed from 1 M HClO4 supporting electrolyte has been measured by use of a Pt(111) thin-layer electrode. The packing-density-vs-concentration profiles for hydroquinone, measured by a differential thin-layer electrode method at an ordered Pt(111) surface and at an electrochemically disordered Pt(111) surface, are identical within an experimental error of about 8%. The profiles from this study are similar to the ones obtained previously at an ordered Pt(111) surface by Auger spectroscopy, but they are significantly different from those reported previously for polycrystalline Pt thin-layer electrodes. A procedure based upon displacement of HQ by thiocyanate has been developed as an alternative method for determining the packing density of adsorbed HQ. Both methods afford information regarding the molecular state of HQ adsorbed at the Pt(111) surface. Copyright 1999 Academic Press. PMID:9885274

  11. 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.

  12. First principles study of electronic properties of gallium nitride nanowires grown along different crystal directions

    SciTech Connect

    Wang, Zhiguo; Zhang, Chunlai; Li, Jingbo; Gao, Fei; Weber, William J.

    2010-12-01

    The electronic properties of hydrogen-saturated GaN nanowires with different orientations and sizes are investigated using first-principles calculations, and three types of nanowires oriented along the [001], [110] and [1-10] crystal directions are considered. The electronic properties show little dependence on orientation. The hydrogen-saturated GaN nanowires show semiconducting behavior with a direct band gap larger than that of bulk wurtzite GaN. Quantum confinement leads to a decrease in the band gap of the nanowires with increasing nanowire size. The [001]-oriented nanowires with hexagonal cross sections are energetically more favorable than the [100]- and [1-10]-oriented nanowires with triangular cross-sections.

  13. Phase coherent transport in hollow InAs nanowires

    SciTech Connect

    Wenz, T.; Rosien, M.; Haas, F.; Rieger, T.; Lepsa, M. I.; Lüth, H.; Grützmacher, D.; Schäpers, Th.; Demarina, N.

    2014-09-15

    Hollow InAs nanowires are produced from GaAs/InAs core/shell nanowires by wet chemical etching of the GaAs core. At room temperature, the resistivity of several nanowires is measured before and after removal of the GaAs core. The observed change in resistivity is explained by simulating the electronic states in both structures. At cryogenic temperatures, quantum transport in hollow InAs nanowires is studied. Flux periodic conductance oscillations are observed when the magnetic field is oriented parallel to the nanowire axis.

  14. 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.

  15. Photoluminescence and photocurrent from InP nanowires with InAsP quantum dots grown on Si by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Kuyanov, P.; LaPierre, R. R.

    2015-08-01

    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.

  16. 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.

  17. 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.

  18. 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.

  19. Estimation of the mutual orientation and intermolecular interaction of C12Ex from molecular dynamics simulations.

    PubMed

    Velinova, Maria; Tsoneva, Yana; Ivanova, Anela; Tadjer, Alia

    2012-04-26

    Nonionic surfactants, such as poly(ethylene glycol) alkyl ethers (abbreviated as CyEx) show a rich phase behavior in aqueous solution, i.e., they form micellar, lamellar, cubic, and so forth phases depending on experimental parameters such as the hydrophobic and hydrophilic chain lengths, temperature, or concentration. The aim of the present study is to determine the nature of the preaggregates, which are inferred to exist before the actual self-assembly process in aqueous solution, and to assess the aptitude to their formation. The target molecules are C12E3, C12E4 and C12E5, surfactants of moderate water solubility. Coarse-grained and all-atom molecular dynamics simulations (NPT/293 K) of two molecules of each species with explicit water in periodic boundary conditions are carried out to estimate the mutual orientation and the interaction between the surfactants in their dimers. The force fields are MARTINI and Amber99, the latter with self-derived parameters for the ether groups. The change in the orientation and distance between the molecules in the dimers are discussed based on different structural parameters. In addition, the interaction between the surfactants is evaluated from quantum chemistry calculations in terms of binding energy for the average structures from the cluster analysis. The solvent-solute interaction is quantified by the mean number of hydrogen bonds formed between them. On the basis of combined analysis, a series of different structures for subsequent study of the possible self-assembly patterns of C12E3, C12E4, and C12E5 is outlined. PMID:22448734

  20. Molecular orientational dynamics in solid C70: Investigation by one- and two-dimensional magic angle spinning nuclear magnetic resonance

    NASA Astrophysics Data System (ADS)

    Tycko, R.; Dabbagh, G.; Vaughan, G. B. M.; Heiney, P. A.; Strongin, R. M.; Cichy, M. A.; Smith, A. B., III

    1993-11-01

    We present the results of 13C nuclear magnetic resonance (NMR) measurements that probe molecular orientational dynamics in solid C70 in the temperature range 223-343 K. Orientational dynamics affect the NMR line shapes and spin-lattice relaxation rates by modulating the 13C chemical shift anisotropy (CSA). Motionally averaged CSA line shapes, determined from both one-dimensional and two-dimensional magic angle spinning NMR spectra, and relaxation rates are determined for each of the five inequivalent carbon sites in the C70 molecule. Comparisons of the results for the five sites provide evidence for rapid uniaxial molecular reorientation in the monoclinic (T≤280 K) and rhombohedral (280≤T≤330 K) phases and rapid isotropic reorientation in the face-centered cubic (T≥330 K) phase. The orientational correlation time is roughly 2 ns at 250 K and of the order of 5 ps at 340 K.

  1. Synthesis and characterization of germanium nanowires and germanium/silicon radially heterostructured nanowires

    NASA Astrophysics Data System (ADS)

    Goldthorpe, Irene Anne

    Semiconductor nanowires offer new opportunities to study physical phenomena in low-dimensional nanostructures. They also possess technologically useful properties for applications in electronics, optics, sensing, and thermoelectrics. Germanium nanowires are of particular interest, because of germanium's compatibility with standard silicon integrated circuit fabrication processes, its high electronic carrier mobilities, and the low temperature required for germanium nanowire growth. In this work, epitaxially-aligned germanium nanowires are grown on silicon substrates by chemical vapor deposition through the vapor-liquid-solid mechanism. Uniform nanowire diameters between 5 and 50 nm are obtained through the use of monodisperse gold colloids as catalysts. The crystallographic orientation of the nanowires, their strain, and their heteroepitaxial relationship with the substrate are characterized with transmission electron microscopy (TEM) and x-ray diffraction (XRD). A process for removing the gold catalysts from the tips of the germanium nanowires is demonstrated. Silicon shells are then heteroepitaxially deposited around the wires to fabricate radial heterostructures. These shells passivate the germanium nanowire surface, create electronic band offsets to confine holes away the surface where they can scatter or recombine, and induce strain which could allow for the engineering of properties such as band gap and carrier mobilities. However, analogous to planar heteroepitaxy, surface roughening and misfit dislocations can relax this strain. The effects of coaxial dimensions on strain relaxation in these structures are analyzed quantitatively by TEM and synchrotron XRD, and these results are related to continuum elasticity models. Lessons learned generated two successful strategies for synthesizing coherent core-shell nanowires with large misfit strain: chlorine surface passivation and growth of nanowires with low-energy sidewall facets. Both approaches avoid the strain

  2. 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

  3. Control of in-plane orientation of phthalocyanine molecular columns using vicinal Si(001)-(2{times}1)-H

    SciTech Connect

    Nakamura, Masakazu; Matsunobe, Takeshi; Tokumoto, Hiroshi

    2001-06-15

    In-plane crystal orientation of copper phthalocyanine (CuPc) films formed by organic molecular-beam epitaxy have been successfully controlled by using vicinal Si(001)-(2{times}1)-H as a substrate, containing atomic steps of an approximately 4 nm period. A continuous film was grown at 60{degree}C and the film thickness ranged between 5 and 8 molecular layers. By observing a frictional force image of the film, 90% of the molecular columns were found to align across the substrate step rows. The preferential orientation is considered to be induced by artificial surface lattices, which result from the striped effective contact area between the rigid CuPc crystals and the stair-like surfaces. The anisotropic optical properties of the film have been also confirmed by polarized reflection measurements. {copyright} 2001 American Institute of Physics.

  4. Effect of substrate orientation on CdS homoepitaxy by molecular dynamics

    DOE PAGESBeta

    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, 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

  5. 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.

  6. 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.

  7. [Molecular genetics of satori, a Drosophila mutant with altered sexual orientation].

    PubMed

    Yamamoto, D

    2000-02-01

    satori (sat) is a Drosophila mutant in which male sexual orientation changes from heterosexual to homosexual. Another phenotype of the satori mutant is the absence of the male-specific muscle of Lawrence (MOL). The formation of MOL is repressed in females by the action of a female-determinant protein. Transformer (Tra), while a Tra-target doublesex (dsx) has no role in the MOL formation. Molecular cloning of the fruitless (fru) gene responsible for the sat mutation revealed that it encodes a putative transcription factor with a BTB domain and Zn finger motifs, and that the second exon of this gene contains three repeats of the Tra-binding consensus sequence. These observations suggest that fru is a novel target of Tra in the sex determination cascade of Drosophila. MOL formation is known to occur when the sex of the innervating motoneuron is male regardless of the sex of the MOL itself. Taking into account the fact that Fru is preferentially expressed in the nervous system, Fru is likely involved in neuronal sex determination. We hypothesize that the sat mutation feminizes a class of neurons which otherwise promote heterosexual courtship and the formation of the MOL in males. PMID:10890021

  8. Revealing molecular structure and orientation with Stokes vector resolved second harmonic generation microscopy.

    PubMed

    Mazumder, Nirmal; Hu, Chih-Wei; Qiu, Jianjun; Foreman, Matthew R; Romero, Carlos Macías; Török, Peter; Kao, Fu-Jen

    2014-03-15

    We report on measurements and characterization of polarization properties of Second Harmonic (SH) signals using a four-channel photon counting based Stokes polarimeter. In this way, the critical polarization parameters can be obtained concurrently without the need of repeated image acquisition. The critical polarization parameters, including the degree of polarization (DOP), the degree of linear polarization (DOLP), and the degree of circular polarization (DOCP), are extracted from the reconstructed Stokes vector based SH images in a pixel-by-pixel manner. The measurements are further extended by varying the polarization states of the incident light and recording the resulting Stokes parameters of the SH signal. In turn this allows the molecular structure and orientation of the samples to be determined. Use of Stokes polarimetry is critical in determination of the full polarization state of light, and enables discrimination of material properties not possible with conventional crossed-polarized detection schemes. The combination of SHG microscopy and Stokes polarimeter hence makes a powerful tool to investigate the structural order of targeted specimens. PMID:23891802

  9. 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.

  10. 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.

  11. 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.

  12. Semiconductor nanowires: Synthesis, passivation, and devices

    NASA Astrophysics Data System (ADS)

    Jagannathan, Hemanth

    Semiconductor nanowires have received much attention in recent years to further the scaling of electronic devices, and for their use in memory, sensors, photonics, and 3-D integrated devices. Germanium nanowires, in particular, are of great interest due to their low synthesis temperatures and high carrier mobility compared to silicon. However, there exists little work to date exploring the low-temperature controlled-synthesis of germanium nanowires. This work studies the heteroepitaxy of germanium nanowires on silicon substrates. Key parameters such as substrate orientation, growth temperature, partial pressure of reactive gas, thermal history, and exposure to ambient atmosphere are identified, and their effects on the resulting epitaxial nanowire synthesis are studied. Additionally, self-assembled highly oriented cylindrical mesopores are used as templates for controlling nanowire synthesis and serve as an attractive alternative to epitaxy. In this method, the orientations and dimensions of the pores control the growth of nanowires (direction, density, order, and size) irrespective of the starting substrate. Stable passivation techniques post-growth to prevent subsequent oxidation are also essential for realizing the large scale integration of nanowires. The well known HF treatments that have been used for decades in silicon processing are ineffective in passivating germanium surfaces, thus beckoning the need for new passivation solutions. This dissertation presents systematic studies performed to passivate germanium nanowires using aqueous halides (HF, HCl, HBr, and HI). Hydrogen bromide passivated germanium surfaces for well over 24 hours with negligible etching of germanium, and is consequently identified as the most promising candidate among the aqueous hydrogen halides. The final portion of this dissertation discusses the integration of nanowires into back-gate field-effect transistors. Important considerations in the choice of source/drain electrode

  13. Molecular orientation and dynamics of flexible polymers in strongly deforming flow fields

    NASA Astrophysics Data System (ADS)

    Kilfoil, Maria Lynn

    A method of spatially resolved magnetic resonance spectroscopy has been developed to allow studies of order and dynamics in complex fluids having transverse relaxation times on the order of tens of milliseconds, studies which were otherwise not possible using existing techniques. The model of Doi and Edwards is a microscopic description for stress transmission in concentrated polymer solutions and melts under deformation. Central to the Doi-Edwards model is the dependence of the stress on bond orientational order of the chain segments. Different elements of the segmental alignment tensor for a polymer melt under strong shearing flow are measured here using localized deuterium NMR spectroscopy on a 610K molecular weight poly(dimethyl siloxane) melt in a concentric cylinder Couette rheometric cell. This approach provides a new means of testing the Doi-Edwards model and its refinements, in the important regime far from equilibrium where the entangled polymers exhibit nonlinear viscoelastic behaviour. The same rheo-NMR methodology is also used to test predictions of the model of Leslie and Ericksen which describes director dynamics in semi-flexible rod-like polymers subjected to viscous stresses. Director dynamics are studied in a lyotropic liquid crystal polymer PBLG (300K) in a highly ordered, nematic phase in a planar extensional flow around a stagnation point. In addition, bulk 2H NMR studies are carried out on PBLG under shear, in concentric cylinder Couette and cone and plate rheometric cells. Magnetic alignment (equivalent to the dynamic Freedericksz transition) is investigated in all three cells following deformation. Values are obtained for the Leslie viscosity coefficients alpha2 and alpha3, scaled by the diamagnetic susceptibility. Possible development of mesoscale structure under shear is discussed.

  14. Vernalization of Oriental hybrid lily 'Sorbonne': changes in physiology metabolic activity and molecular mechanism.

    PubMed

    Liu, Xiaohua; Wang, Qing; Gu, Jiahui; Lü, Yingmin

    2014-10-01

    Oriental hybrid lily 'Sorbonne' was used to investigate molecular changes during the storage at 4 °C for dormancy-release besides physiology metabolic activity observations. In physiological mechanism, endogenous abscisic acid (ABA) concentration level of lily bulbs decreased as the cold preservation time increased, and it kept at a stable level after being preserved for 35 days. The level of soluble sugars concentrations also changed during the cold preservation time, and it increased as the cold preservation time raised to 49 days then decreased afterward. On molecule level, a new transcriptome providing comprehensive sequence profiling data of variation during dormancy-release in lily was constructed. 34,367 unigenes expressed differentially between the control and the treatment was analyzed. 14 genes including 8 MADS-box family genes, 4 genes related to plant hormone, and 2 DNA methylation genes were selected to identify the levels of their expression by qRT-PCR. Our results show that the decrease of ABA level during cold storage, as well as changes in plant hormone genes was correlated with dormancy-release; MADS-box family genes VRN2, FLC, FT, SOC1 a, as well as LFY, MIKC and ARF, MYB transcription factor were included in lily floral induction and DNA methylation was correlated to lily vernalization under low temperature. According to the results of the present studies, we predicted that plant hormone pathway, energy metabolic pathway, vernalization pathway, and DNA methylation played important roles during vernalization; these data provided the foundation for future studies of vernalization to induce flowering of lily. PMID:24990697

  15. Molecular and functional characterization of the vitellogenin receptor in oriental river prawn, Macrobrachium nipponense.

    PubMed

    Bai, Hongkun; Qiao, Hui; Li, Fajun; Fu, Hongtuo; Jiang, Sufei; Zhang, Wenyi; Yan, Yuedi; Xiong, Yiwei; Sun, Shengming; Jin, Shubo; Gong, Yongsheng; Wu, Yan

    2016-04-01

    A complementary DNA (cDNA) that encodes the vitellogenin receptor (VgR) in the oriental river prawn, Macrobrachium nipponense, was cloned using expressed sequence tag analysis and a rapid amplification of cDNA ends approach. The coding region consists of 5920 base pairs (bp) that encode a 1902 amino acid protein, with a predicted molecular mass of 209 kDa. The coding region is flanked by a 45 bp 5'-untranslated region (UTR) and a 166 bp 3'-UTR. The deduced amino acid sequence of the M. nipponense VgR cDNA had typically conserved domains, such as an extracellular, lipoprotein-binding domain, epidermal growth factor-like and O-glycosylation domains, a transmembrane domain and a short C-terminal, cytosolic tail. Quantitative real-time PCR (qPCR) indicated that Mn-VgR is highly expressed in the female ovary. Expression analysis by qPCR demonstrated the larval and ovarian developmental stage-specific expression pattern. As the ovaries developed, the expression level of Mn-VgR gradually increased during the reproductive cycle (stage I), to reach a peak in stage III. Levels then dropped as a new development cycle was entered after reproduction molting. Eyestalk ablation led to a significant increase in the expression of Mn-VgR during the ovarian development stages (P<0.05), when compared with the eyestalk-intact group. The investigation revealed that eyestalk ablation initially affected Mn-VgR expression and then influenced vitellogenesis. In adult females, VgR RNA interference (RNAi) dramatically delayed the maturation of the ovary, in accordance with the gonad somatic index. In addition, Mn-VgR RNAi led to vitellin depletion in the oocytes and the accumulation of vitellin in the hepatopancreas. PMID:26773480

  16. 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.

  17. 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.

  18. Molecular dyes used for surgical specimen margin orientation allow for intraoperative optical assessment during breast conserving surgery

    PubMed Central

    McClatchy, David M.; Krishnaswamy, Venkataramanan; Kanick, Stephen C.; Elliott, Jonathan T.; Wells, Wendy A.; Barth, Richard J.; Paulsen, Keith D.; Pogue, Brian W.

    2015-01-01

    Abstract. A variety of optical techniques utilizing near-infrared (NIR) light are being proposed for intraoperative breast tumor margin assessment. However, immediately following a lumpectomy excision, the margins are inked, which preserves the orientation of the specimen but prevents optical interrogation of the tissue margins. Here, a workflow is proposed that allows for both NIR optical assessment following full specimen marking using molecular dyes which have negligible absorption and scattering in the NIR. The effect of standard surgical inks in contrast to molecular dyes for an NIR signal is shown. Further, the proposed workflow is demonstrated with full specimen intraoperative imaging on all margins directly after the lumpectomy has been excised and completely marked. This work is an important step in the path to clinical feasibility of intraoperative breast tumor margin assessment using NIR optical methods without having to compromise on the current clinical practice of inking resected specimens for margin orientation. PMID:25901654

  19. X-Ray Scattering Investigation of Molecular Orientation During Shear Flow in Model Thermotropic Liquid Crystalline Polymers

    NASA Astrophysics Data System (ADS)

    Ugaz, V. M.; Burghardt, W. R.

    1998-03-01

    We describe the use of in-situ x-ray scattering techniques to directly measure the influence of flow on molecular orientation in two different model thermotropic liquid crystalline polymers (LCPs). These model materials, one a polyester and the other a polyether, are both composed of rigid mesogens randomly copolymerized with flexible spacer chains of two different lengths. This architecture provides both LCPs with an accessible isotropic transition temperature, thereby allowing a well-defined thermal history to be established prior to application of shear flow. We present measurements of molecular orientation in steady shear flow, during relaxation after cessation of shear flow, and in the transient periods during shear flow inception and reversal. These results are then compared with corresponding rheological data, providing a unique opportunity to directly correlate structural and rheological behavior in each material as well as between materials.

  20. Molecular dyes used for surgical specimen margin orientation allow for intraoperative optical assessment during breast conserving surgery

    NASA Astrophysics Data System (ADS)

    McClatchy, David M., III; Krishnaswamy, Venkataramanan; Kanick, Stephen C.; Elliott, Jonathan T.; Wells, Wendy A.; Barth, Richard J., Jr.; Paulsen, Keith D.; Pogue, Brian W.

    2015-04-01

    A variety of optical techniques utilizing near-infrared (NIR) light are being proposed for intraoperative breast tumor margin assessment. However, immediately following a lumpectomy excision, the margins are inked, which preserves the orientation of the specimen but prevents optical interrogation of the tissue margins. Here, a workflow is proposed that allows for both NIR optical assessment following full specimen marking using molecular dyes which have negligible absorption and scattering in the NIR. The effect of standard surgical inks in contrast to molecular dyes for an NIR signal is shown. Further, the proposed workflow is demonstrated with full specimen intraoperative imaging on all margins directly after the lumpectomy has been excised and completely marked. This work is an important step in the path to clinical feasibility of intraoperative breast tumor margin assessment using NIR optical methods without having to compromise on the current clinical practice of inking resected specimens for margin orientation.

  1. Cluster analysis of molecular simulation trajectories for systems where both conformation and orientation of the sampled states are important.

    PubMed

    Abramyan, Tigran M; Snyder, James A; Thyparambil, Aby A; Stuart, Steven J; Latour, Robert A

    2016-08-01

    Clustering methods have been widely used to group together similar conformational states from molecular simulations of biomolecules in solution. For applications such as the interaction of a protein with a surface, the orientation of the protein relative to the surface is also an important clustering parameter because of its potential effect on adsorbed-state bioactivity. This study presents cluster analysis methods that are specifically designed for systems where both molecular orientation and conformation are important, and the methods are demonstrated using test cases of adsorbed proteins for validation. Additionally, because cluster analysis can be a very subjective process, an objective procedure for identifying both the optimal number of clusters and the best clustering algorithm to be applied to analyze a given dataset is presented. The method is demonstrated for several agglomerative hierarchical clustering algorithms used in conjunction with three cluster validation techniques. © 2016 Wiley Periodicals, Inc. PMID:27292100

  2. PM-IRRAS Determination of Molecular Orientation of Phosphonic Acid Self-Assembled Monolayers on Indium Zinc Oxide.

    PubMed

    Sang, Lingzi; Mudalige, Anoma; Sigdel, Ajaya K; Giordano, Anthony J; Marder, Seth R; Berry, Joseph J; Pemberton, Jeanne E

    2015-05-26

    Self-assembled monolayers (SAMs) of phosphonic acids (PAs) on transparent conductive oxide (TCO) surfaces can facilitate improvement in TCO/organic semiconductor interface properties. When ordered PA SAMs are formed on oxide substrates, interface dipole and electronic structure are affected by the functional group properties, orientation, and binding modes of the modifiers. Choosing octylphosphonic acid (OPA), F13-octylphosphonic acid (F13OPA), pentafluorophenyl phosphonic acid (F5PPA), benzyl phosphonic acid (BnPA), and pentafluorobenzyl phosphonic acid (F5BnPA) as a representative group of modifiers, we report polarization modulation-infrared reflection-absorption spectroscopy (PM-IRRAS) of binding and molecular orientation on indium-doped zinc oxide (IZO) substrates. Considerable variability in molecular orientation and binding type is observed with changes in PA functional group. OPA exhibits partially disordered alkyl chains but on average the chain axis is tilted ∼57° from the surface normal. F13OPA tilts 26° with mostly tridentate binding. The F5PPA ring is tilted 23° from the surface normal with a mixture of bidentate and tridentate binding; the BnPA ring tilts 31° from normal with a mixture of bidentate and tridentate binding, and the F5BnPA ring tilts 58° from normal with a majority of bidentate with some tridenate binding. These trends are consistent with what has been observed previously for the effects of fluorination on orientation of phosphonic acid modifiers. These results from PM-IRRAS are correlated with recent results on similar systems from near-edge X-ray absorption fine structure (NEXAFS) and density functional theory (DFT) calculations. Overall, these results indicate that both surface binding geometry and intermolecular interactions play important roles in dictating the orientation of PA modifiers on TCO surfaces. This work also establishes PM-IRRAS as a routine method for SAM orientation determination on complex oxide substrates

  3. Nanowire Bolometers

    NASA Astrophysics Data System (ADS)

    Peterson, Jeffrey B.; Bolinger, A. T.; Berzyadin, A.; Bock, D.; Garcia, K.

    2003-02-01

    Cryogenic tests of a prototype superconducting nanowire bolometer are presented. The device has such low thermal conductance it should be sensitive when used as a direct detector. Because of the small size of the active area we anticipate that this bolometer may also be fast enough to be used as a wideband mixer.

  4. Silver nanowires

    NASA Astrophysics Data System (ADS)

    Graff, A.; Wagner, D.; Ditlbacher, H.; Kreibig, U.

    2005-07-01

    Free silver nanowires were produced in aqueous electrolyte by a novel chemical reaction. Their diameters are about 27 nm, the lengths range up to more than 70 μm, yielding extreme length to thickness-ratios up to 2500. Their structure was identified by TEM analysis (SAED) and HRTEM to consist of a lattice aligned bundle of five monocrystalline rods of triangular cross-section forming an almost regular pentagonal cross-section. It is demonstrated that, for application purposes, single free nanowires can be mounted between contact areas. This manipulation is enabled by observing the nanowires in real time at atmosphere by Zsigmondy-Siedentopf farfield darkfield microscopy. Experimental results are presented concerning electrical dc conductivity and optical plasmon polariton excitation, the latter obtained from a single free wire without substrate and a single wire deposited on quartz glass. We also report about a present research cooperation with the Graz group of Aussenegg and Krenn which is devoted to investigate plasmon propagation in our Ag nanowires and to prove application possibilities as information guide fibers in analogy to optical fibers which may be integrated into micro- and nanoelectronic circuits.

  5. Pseudoelastic behavior of Cu-Ni composite nanowires

    SciTech Connect

    Mastorakos, Ioannis N.; Zbib, Hussein M.; Bahr, David F.; Parsons, Jessica; Faisal, Mased

    2009-01-26

    We investigate the pseudoelastic behavior at room temperature of composite nanowires using molecular dynamics simulations. The nanowires are composed of a nickel core surrounded by a copper shell, leading to high coherency stresses. The coherency and surface stresses cause the nanowires to undergo a lattice reorientation, by twinning, from <001> to <110> during relaxation. Nanowires of different cross-sectional areas (varying from 2.17x2.17 up to 2.9x2.9 nm{sup 2}) were studied. In all cases, under tensile loading, the nanowires reorient to <001> and then under unloading reorient back to <110>, thus exhibiting pseudoelastic behavior. This behavior is more pronounced in composite nanowires with a coherent interface than for single crystal nanowires.

  6. Pulse-fluence-specified optimal control simulation with applications to molecular orientation and spin-isomer-selective molecular alignment

    SciTech Connect

    Yoshida, Masataka; Nakashima, Kaoru; Ohtsuki, Yukiyoshi

    2015-12-31

    We propose an optimal control simulation with specified pulse fluence and amplitude. The simulation is applied to the orientation control of CO molecules to examine the optimal combination of THz and laser pulses, and to discriminate nuclear-spin isomers of {sup 14}N{sub 2} as spatially anisotropic distributions.

  7. Widely tunable alloy composition and crystal structure in catalyst-free InGaAs nanowire arrays grown by selective area molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Treu, J.; Speckbacher, M.; Saller, K.; Morkötter, S.; Döblinger, M.; Xu, X.; Riedl, H.; Abstreiter, G.; Finley, J. J.; Koblmüller, G.

    2016-02-01

    We delineate the optimized growth parameter space for high-uniformity catalyst-free InGaAs nanowire (NW) arrays on Si over nearly the entire alloy compositional range using selective area molecular beam epitaxy. Under the required high group-V fluxes and V/III ratios, the respective growth windows shift to higher growth temperatures as the Ga-content x(Ga) is tuned from In-rich to Ga-rich InGaAs NWs. Using correlated x-ray diffraction, transmission electron microscopy, and micro-photoluminescence spectroscopy, we identify structural defects to govern luminescence linewidths in In-rich (x(Ga) < 0.4) and Ga-rich (x(Ga) > 0.6) NWs, whereas limitations at intermediate Ga-content (0.4 < x(Ga) < 0.6) are mainly due to compositional inhomogeneities. Most remarkably, the catalyst-free InGaAs NWs exhibit a characteristic transition in crystal structure from wurtzite to zincblende (ZB) dominated phase near x(Ga) ˜ 0.4 that is further reflected in a cross-over from blue-shifted to red-shifted photoluminescence emission relative to the band edge emission of the bulk ZB InGaAs phase.

  8. Theory of third-order spectroscopic methods to extract detailed molecular orientational dynamics for planar surfaces and other uniaxial systems

    SciTech Connect

    Nishida, Jun; Fayer, Michael D.

    2014-04-14

    Functionalized organic monolayers deposited on planar two-dimensional surfaces are important systems for studying ultrafast orientational motions and structures of interfacial molecules. Several studies have successfully observed the orientational relaxation of functionalized monolayers by fluorescence depolarization experiments and recently by polarization-resolved heterodyne detected vibrational transient grating (HDTG) experiments. In this article we provide a model-independent theory to extract orientational correlation functions unique to interfacial molecules and other uniaxial systems based on polarization-resolved resonant third-order spectroscopies, such as pump-probe spectroscopy, HDTG spectroscopy, and fluorescence depolarization experiment. It will be shown (in the small beam-crossing angle limit) that five measurements are necessary to completely characterize the monolayer's motions: I{sub ∥}(t) and I{sub ⊥}(t) with the incident beams normal to the surface, I{sub ∥}(t) and I{sub ⊥}(t) with a non-zero incident angle, and a time averaged linear dichroism measurement. Once these measurements are performed, two orientational correlation functions corresponding to in-plane and out-of-plane motions are obtained. The procedure is applicable not only for monolayers on flat surfaces, but any samples with uniaxial symmetry such as uniaxial liquid crystals and aligned planar bilayers. The theory is valid regardless of the nature of the actual molecular motions on interface. We then apply the general results to wobbling-in-a-cone model, in which molecular motions are restricted to a limited range of angles. Within the context of the model, the cone angle, the tilt of the cone relative to the surface normal, and the orientational diffusion constant can be determined. The results are extended to describe analysis of experiments where the beams are not crossing in the small angle limit.

  9. An Experiment-Oriented Approach to Teaching the Kinetic Molecular Theory.

    ERIC Educational Resources Information Center

    Wiseman, Frank L., Jr.

    1979-01-01

    This paper reports an experiment in the teaching of the kinetic molecular theory to nonscience majors by the inquiry method. It allows the student to develop an essentially correct view of gases, liquids, and solids on the atomic or molecular level, and illustrates how one can draw conclusions about the molecular level by simple visual…

  10. 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.

  11. Growth of HgTe nanowires

    NASA Astrophysics Data System (ADS)

    Selvig, E.; Hadzialic, S.; Skauli, T.; Steen, H.; Hansen, V.; Trosdahl-Iversen, L.; van Rheenen, A. D.; Lorentzen, T.; Haakenaasen, R.

    2006-09-01

    HgTe nanowires nucleated by Au particles have been grown on Si and GaAs substrates by molecular beam epitaxy. The wires are polycrystalline. They evolve from crooked to straight during growth and have rounded to rectangular cross-sections. The widths are in the range 20-500 nm, with lengths up to 4 μm. The height of the nanowires is typically less than the width. The nanowires have been characterized by scanning electron microscopy, x-ray photoelectron spectroscopy, transmission electron microscopy and atomic force microscopy. The effects of substrate material, substrate preparation and growth conditions have been investigated.

  12. Manganese oxide nanowires, films, and membranes and methods of making

    DOEpatents

    Suib, Steven Lawrence; Yuan, Jikang

    2008-10-21

    Nanowires, films, and membranes comprising ordered porous manganese oxide-based octahedral molecular sieves, and methods of making, are disclosed. A single crystal ultra-long nanowire includes an ordered porous manganese oxide-based octahedral molecular sieve, and has an average length greater than about 10 micrometers and an average diameter of about 5 nanometers to about 100 nanometers. A film comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is stacked on a surface of a substrate, wherein the nanowires of each layer are substantially axially aligned. A free standing membrane comprises a microporous network comprising a plurality of single crystal nanowires in the form of a layer, wherein a plurality of layers is aggregately stacked, and wherein the nanowires of each layer are substantially axially aligned.

  13. Nanowire Optoelectronics

    NASA Astrophysics Data System (ADS)

    Wang, Zhihuan; Nabet, Bahram

    2015-12-01

    Semiconductor nanowires have been used in a variety of passive and active optoelectronic devices including waveguides, photodetectors, solar cells, light-emitting diodes (LEDs), lasers, sensors, and optical antennas. We review the optical properties of these nanowires in terms of absorption, guiding, and radiation of light, which may be termed light management. Analysis of the interaction of light with long cylindrical/hexagonal structures with subwavelength diameters identifies radial resonant modes, such as Leaky Mode Resonances, or Whispering Gallery modes. The two-dimensional treatment should incorporate axial variations in "volumetric modes,"which have so far been presented in terms of Fabry-Perot (FP), and helical resonance modes. We report on finite-difference timedomain (FDTD) simulations with the aim of identifying the dependence of these modes on geometry (length, width), tapering, shape (cylindrical, hexagonal), core-shell versus core-only, and dielectric cores with semiconductor shells. This demonstrates how nanowires (NWs) form excellent optical cavities without the need for top and bottommirrors. However, optically equivalent structures such as hexagonal and cylindrical wires can have very different optoelectronic properties meaning that light management alone does not sufficiently describe the observed enhancement in upward (absorption) and downward transitions (emission) of light inNWs; rather, the electronic transition rates should be considered. We discuss this "rate management" scheme showing its strong dimensional dependence, making a case for photonic integrated circuits (PICs) that can take advantage of the confluence of the desirable optical and electronic properties of these nanostructures.

  14. Real structure of lattice matched GaAs-Fe3Si core-shell nanowires

    NASA Astrophysics Data System (ADS)

    Jenichen, B.; Hilse, M.; Herfort, J.; Trampert, A.

    2015-01-01

    GaAs nanowires and GaAs-Fe3Si core-shell nanowire structures were grown by molecular-beam epitaxy on oxidized Si(111) substrates and characterized by transmission electron microscopy (TEM) and X-ray diffraction (XRD). Ga droplets were formed on the oxide surface, and the semiconducting GaAs nanowires grew epitaxially via the vapor-liquid-solid mechanism as single-crystals from holes in the oxide film. We observed two stages of growth of the GaAs nanowires, first the regular growth and second the residual growth after the Ga supply was finished. The magnetic Fe3Si shells were deposited in an As-free chamber. They completely cover the GaAs cores although they consist of small grains. High-resolution TEM micrographs depict the differently oriented grains in the Fe3Si shells. Selected area diffraction of electrons and XRD gave further evidence that the shells are textured and not single crystals. Facetting of the shells was observed, which lead to thickness inhomogeneities of the shells.

  15. 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. PMID:21491945

  16. Boundary conditions for fluids with internal orientational degrees of freedom: Apparent velocity slip associated with the molecular alignment

    SciTech Connect

    Heidenreich, Sebastian; Hess, Siegfried; Ilg, Patrick

    2007-06-15

    Boundary effects are investigated for fluids with internal orientational degrees of freedom such as molecular liquids, thermotropic and lyotropic liquid crystals, and polymeric fluids. The orientational degrees of freedom are described by the second rank alignment tensor which is related to the birefringence. We use a standard model to describe the orientational dynamics in the presence of flow, the momentum balance equations, and a constitutive law for the pressure tensor to describe our system. In the spirit of irreversible thermodynamics, boundary conditions are formulated for the mechanical slip velocity and the flux of the alignment. They are set up such that the entropy production at the wall inferred from the entropy flux is positive definite. Even in the absence of a true mechanical slip, the coupling between orientation and flow leads to flow profiles with an apparent slip. This has consequences for the macroscopically measurable effective velocity. In analytical investigations, we consider the simplified case of an isotropic fluid in the Newtonian and stationary flow regime. For special geometries such as plane and cylindrical Couette flow, plane Poiseuille flow, and a flow down an inclined plane, we demonstrate explicitly how the boundary conditions lead to an apparent slip. Furthermore, we discuss the dependence of the effective viscosity and of the effective slip length on the model parameters.

  17. Boundary conditions for fluids with internal orientational degrees of freedom: apparent velocity slip associated with the molecular alignment.

    PubMed

    Heidenreich, Sebastian; Ilg, Patrick; Hess, Siegfried

    2007-06-01

    Boundary effects are investigated for fluids with internal orientational degrees of freedom such as molecular liquids, thermotropic and lyotropic liquid crystals, and polymeric fluids. The orientational degrees of freedom are described by the second rank alignment tensor which is related to the birefringence. We use a standard model to describe the orientational dynamics in the presence of flow, the momentum balance equations, and a constitutive law for the pressure tensor to describe our system. In the spirit of irreversible thermodynamics, boundary conditions are formulated for the mechanical slip velocity and the flux of the alignment. They are set up such that the entropy production at the wall inferred from the entropy flux is positive definite. Even in the absence of a true mechanical slip, the coupling between orientation and flow leads to flow profiles with an apparent slip. This has consequences for the macroscopically measurable effective velocity. In analytical investigations, we consider the simplified case of an isotropic fluid in the Newtonian and stationary flow regime. For special geometries such as plane and cylindrical Couette flow, plane Poiseuille flow, and a flow down an inclined plane, we demonstrate explicitly how the boundary conditions lead to an apparent slip. Furthermore, we discuss the dependence of the effective viscosity and of the effective slip length on the model parameters. PMID:17677352

  18. Molecular orientation distributions in protein films: III. Yeast cytochrome c immobilized on pyridyl disulfide-capped phospholipid bilayers.

    PubMed Central

    Edmiston, P L; Saavedra, S S

    1998-01-01

    Molecular orientation in a hydrated monolayer film of yeast cytochrome c, immobilized via disulfide bonding between Cys-102 and a pyridyl disulfide-capped phospholipid bilayer deposited from an air-water interface onto glass substrates, was investigated. The orientation distribution of the heme groups in the protein film was determined using a combination of absorption linear dichroism, measured in a planarintegrated optical waveguide-attenuated total reflection geometry- and fluorescence anisotropy, measured in a total internal reflection geometry. A gaussian model for the orientation distribution was used to recover the mean heme tilt angle and angular distribution about the mean, which were 40 and 11 degrees, respectively. Additional experiments showed that a large fraction of the cytochrome c was disulfide bonded to the bilayer, which correlates with the high degree of macroscopic order in the protein film. However, a subpopulation of yeast cytochrome c molecules in the film (approximately 30% of the total) appeared to be nonspecifically adsorbed. The orientation distribution of this subpopulation was found to be much broader than the specifically bound fraction. PMID:9533712

  19. The role of surface passivation in controlling Ge nanowire faceting

    DOE PAGESBeta

    Gamalski, A. D.; Tersoff, J.; Kodambaka, S.; Zakharov, D. N.; Ross, F. M.; Stach, E. A.

    2015-11-05

    In situ transmission electron microscopy observations of nanowire morphologies indicate that during Au-catalyzed Ge nanowire growth, Ge facets can rapidly form along the nanowire sidewalls when the source gas (here, digermane) flux is decreased or the temperature is increased. This sidewall faceting is accompanied by continuous catalyst loss as Au diffuses from the droplet to the wire surface. We suggest that high digermane flux and low temperatures promote effective surface passivation of Ge nanowires with H or other digermane fragments inhibiting diffusion and attachment of Au and Ge on the sidewalls. Furthermore, these results illustrate the essential roles of themore » precursor gas and substrate temperature in maintaining nanowire sidewall passivation, necessary to ensure the growth of straight, untapered, <111>-oriented nanowires.« less

  20. The role of surface passivation in controlling Ge nanowire faceting

    SciTech Connect

    Gamalski, A. D.; Tersoff, J.; Kodambaka, S.; Zakharov, D. N.; Ross, F. M.; Stach, E. A.

    2015-11-05

    In situ transmission electron microscopy observations of nanowire morphologies indicate that during Au-catalyzed Ge nanowire growth, Ge facets can rapidly form along the nanowire sidewalls when the source gas (here, digermane) flux is decreased or the temperature is increased. This sidewall faceting is accompanied by continuous catalyst loss as Au diffuses from the droplet to the wire surface. We suggest that high digermane flux and low temperatures promote effective surface passivation of Ge nanowires with H or other digermane fragments inhibiting diffusion and attachment of Au and Ge on the sidewalls. Furthermore, these results illustrate the essential roles of the precursor gas and substrate temperature in maintaining nanowire sidewall passivation, necessary to ensure the growth of straight, untapered, <111>-oriented nanowires.

  1. Boron carbide nanowires: Synthesis and characterization

    NASA Astrophysics Data System (ADS)

    Guan, Zhe

    Bulk boron carbide has been widely used in ballistic armored vest and the property characterization has been heavily focused on mechanical properties. Even though boron carbides have also been projected as a promising class of high temperature thermoelectric materials for energy harvesting, the research has been limited in this field. Since the thermal conductivity of bulk boron carbide is still relatively high, there is a great opportunity to take advantage of the nano effect to further reduce it for better thermoelectric performance. This dissertation work aims to explore whether improved thermoelectric performance can be found in boron carbide nanowires compared with their bulk counterparts. This dissertation work consists of four main parts. (1) Synthesis of boron carbide nanowires. Boron carbide nanowires were synthesized by co-pyrolysis of diborane and methane at low temperatures (with 879 °C as the lowest) in a home-built low pressure chemical vapor deposition (LPCVD) system. The CVD-based method is energy efficient and cost effective. The as-synthesized nanowires were characterized by electron microscopy extensively. The transmission electron microscopy (TEM) results show the nanowires are single crystalline with planar defects. Depending on the geometrical relationship between the preferred growth direction of the nanowire and the orientation of the defects, the as-synthesized nanowires could be further divided into two categories: transverse fault (TF) nanowires grow normal to the defect plane, while axial fault (AF) ones grow within the defect plane. (2) Understanding the growth mechanism of as-synthesized boron carbide nanowires. The growth mechanism can be generally considered as the famous vapor-liquid-solid (VLS) mechanism. TF and AF nanowires were found to be guided by Ni-B catalysts of two phases. A TF nanowire is lead by a hexagonal phase catalyst, which was proved to be in a liquid state during reaction. While an AF nanowires is catalyzed by a

  2. Electronic band structure calculations of bismuth-antimony nanowires

    NASA Astrophysics Data System (ADS)

    Levin, Andrei; Dresselhaus, Mildred

    2012-02-01

    Alloys of bismuth and antimony received initial interest due to their unmatched low-temperature thermoelectric performance, and have drawn more recent attention as the first 3D topological insulators. One-dimensional bismuth-antimony (BiSb) nanowires display interesting quantum confinement effects, and are expected to exhibit even better thermoelectric properties than bulk BiSb. Due to the small, anisotropic carrier effective masses, the electronic properties of BiSb nanowires show great sensitivity to nanowire diameter, crystalline orientation, and alloy composition. We develop a theoretical model for calculating the band structure of BiSb nanowires. For a given crystalline orientation, BiSb nanowires can be in the semimetallic, direct semiconducting, or indirect semiconducting phase, depending on nanowire diameter and alloy composition. These ``phase diagrams'' turn out to be remarkably similar among the different orientations, which is surprising in light of the anisotropy of the bulk BiSb Fermi surface. We predict a novel direct semiconducting phase for nanowires with diameter less than ˜15 nm, over a narrow composition range. We also find that, in contrast to the bulk and thin film BiSb cases, a gapless state with Dirac dispersion cannot be realized in BiSb nanowires.

  3. Anisotropic orientational motion of molecular adsorbates at the air-water interface

    SciTech Connect

    Zimdars, D.; Dadap, J.I.; Eisenthal, K.B.; Heinz, T.F.

    1999-04-29

    The ultrafast orientational motions of coumarin 314 (C314) adsorbed at the air/water interface were investigated by time-resolved surface second harmonic generation (TRSHG). The theory and method of using TRSHG to detect both out-of-plane and in-plane orientational motions are discussed. The interfacial solute motions were found to be anisotropic, with differing out-of-plane and in-plane reorientation time constants. This report presents the first direct observation of in-plane orientational motion of a molecule (C314) at the air/water interface using TRSHG. The in-plane reorientation time constant is 600 {+-} 40 ps. The out-of-plane reorientation time constant is 350 {+-} 20 ps. The out-of-plane orientational motion of C314 is similar to the previous results on rhodamine 6G at the air/water interface which indicated increased interfacial friction compared with bulk aqueous solution. The surface reorientation times are 2--3 times slower than the bulk isotropic orientational diffusion time.

  4. Growth of metal oxide nanowires from supercooled liquid nanodroplets.

    SciTech Connect

    Kim, M. H.; Lee, B.; Lee, S.; Larson, C.; Balik, J. M.; Yavuz, C. T.; Seifert, S.; Vajda, S.; Winans, R. E.; Moskovits, M.; Stucky, G. D.; Wodtke, A. M.; Univ. of California at Santa Barbara; Yale Univ.

    2009-12-01

    Nanometer-sized liquid droplets formed at temperatures below the bulk melting point become supercooled as they grow through Ostwald ripening or coalescence and can be exploited to grow nanowires without any catalyst. We used this simple approach to synthesize a number of highly crystalline metal oxide nanowires in a chemical or physical vapor deposition apparatus. Examples of nanowires made in this way include VO{sub 2}, V{sub 2}O{sub 5}, RuO{sub 2}, MoO{sub 2}, MoO{sub 3}, and Fe{sub 3}O{sub 4}, some of which have not been previously reported. Direct evidence of this new mechanism of nanowire growth is found from in situ 2-dimensional GISAXS (grazing incidence small angle X-ray scattering) measurements of VO{sub 2} nanowire growth, which provides quantitative information on the shapes and sizes of growing nanowires as well as direct evidence of the presence of supercooled liquid droplets. We observe dramatic changes in nanowire growth by varying the choice of substrate, reflecting the influence of wetting forces on the supercooled nanodroplet shape and mobility as well as substrate-nanowire lattice matching on the definition of nanowire orientation. Surfaces with defects can also be used to pattern the growth of the nanowires. The simplicity of this synthesis concept suggests it may be rather general in its application.

  5. Doping incorporation paths in catalyst-free Be-doped GaAs nanowires

    SciTech Connect

    Casadei, Alberto; Heiss, Martin; Colombo, Carlo; Ruelle, Thibaud; Fontcuberta i Morral, Anna; Krogstrup, Peter; Roehr, Jason A.; Upadhyay, Shivendra; Sorensen, Claus B.; Nygard, Jesper

    2013-01-07

    The incorporation paths of Be in GaAs nanowires grown by the Ga-assisted method in molecular beam epitaxy have been investigated by electrical measurements of nanowires with different doping profiles. We find that Be atoms incorporate preferentially via the nanowire side facets, while the incorporation path through the Ga droplet is negligible. We also show that Be can diffuse into the volume of the nanowire giving an alternative incorporation path. This work is an important step towards controlled doping of nanowires and will serve as a help for designing future devices based on nanowires.

  6. Horizontal molecular orientation in solution-processed organic light-emitting diodes

    SciTech Connect

    Zhao, L.; Inoue, M.; Komino, T.; Kim, J.-H.; Ribierre, J. C. E-mail: adachi@cstf.kyushu-u.ac.jp [Center for Organic Photonics and Electronics Research , Kyushu University, 744 Motooka, Nishi, Fukuoka 819-0395; Japan Science and Technology Agency , ERATO, Adachi Molecular Exciton Engineering Project, c and others

    2015-02-09

    Horizontal orientation of the emission transition dipole moments achieved in glassy vapor-deposited organic thin films leads to an enhancement of the light out-coupling efficiency in organic light-emitting diodes (OLEDs). Here, our combined study of variable angle spectroscopic ellipsometry and angle dependent photoluminescence demonstrates that such a horizontal orientation can be achieved in glassy spin-coated organic films based on a composite blend of a heptafluorene derivative as a dopant and a 4,4′-bis(N-carbazolyl)-1,1′-biphenyl as a host. Solution-processed fluorescent OLEDs with horizontally oriented heptafluorene emitters were then fabricated and emitted deep blue electroluminescence with an external quantum efficiency as high as 5.3%.

  7. Designing and building nanowires: directed nanocrystal self-assembly into radically branched and zigzag PbS nanowires

    NASA Astrophysics Data System (ADS)

    Xu, Fan; Ma, Xin; Gerlein, L. Felipe; Cloutier, Sylvain G.

    2011-07-01

    Lead sulfide nanowires with controllable optoelectronic properties would be promising building blocks for various applications. Here, we report the hot colloidal synthesis of radically branched and zigzag nanowires through self-attachment of star-shaped and octahedral nanocrystals in the presence of multiple surfactants. We obtained high-quality single-crystal nanowires with uniform diameter along the entire length, and the size of the nanowire can be tuned by tailoring the reaction parameters. This slow oriented attachment provides a better understanding of the intricacies of this complex nanocrystal assembly process. Meanwhile, these self-assembled nanowire structures have appealing lateral conformations with narrow side arms or highly faceted edges, where strong quantum confinement can occur. Consequently, the single-crystal nanowire structures exhibit strong photoluminescence in the near-infrared region with a large blue-shift compared to the bulk material.

  8. Effect of surface energy on size-dependent deformation twinning of defect-free Au nanowires.

    PubMed

    Hwang, Byungil; Kang, Mijeong; Lee, Subin; Weinberger, Christopher R; Loya, Phillip; Lou, Jun; Oh, Sang Ho; Kim, Bongsoo; Han, Seung Min

    2015-10-14

    In this study, we report the size-dependent transition of deformation twinning studied using in situ SEM/TEM tensile testing of defect-free [110] Au nanowires/ribbons with controlled geometry. The critical dimension below which the ordinary plasticity transits to deformation twinning is experimentally determined to be ∼170 nm for Au nanowires with equilateral cross-sections. Nanoribbons with a fixed thickness but increased width-to-thickness ratios (9 : 1) were also studied to show that an increase in the surface energy due to the crystal re-orientation suppresses the deformation twinning. Molecular dynamics simulations confirmed that the transition from partial dislocation mediated plasticity to perfect dislocation plasticity with increase in the width-to-thickness ratio is due to the effect of the surface energy. PMID:26350050

  9. Surface physics of semiconducting nanowires

    NASA Astrophysics Data System (ADS)

    Amato, Michele; Rurali, Riccardo

    2016-02-01

    Semiconducting nanowires (NWs) are firm candidates for novel nanoelectronic devices and a fruitful playground for fundamental physics. Ultra-thin nanowires, with diameters below 10 nm, present exotic quantum effects due to the confinement of the wave functions, e.g. widening of the electronic band-gap, deepening of the dopant states. However, although several reports of sub-10 nm wires exist to date, the most common NWs have diameters that range from 20 to 200 nm, where these quantum effects are absent or play a very minor role. Yet, the research activity on this field is very intense and these materials still promise to provide an important paradigm shift for the design of emerging electronic devices and different kinds of applications. A legitimate question is then: what makes a nanowire different from bulk systems? The answer is certainly the large surface-to-volume ratio. In this article we discuss the most salient features of surface physics and chemistry in group-IV semiconducting nanowires, focusing mostly on Si NWs. First we review the state-of-the-art of NW growth to achieve a smooth and controlled surface morphology. Next we discuss the importance of a proper surface passivation and its role on the NW electronic properties. Finally, stressing the importance of a large surface-to-volume ratio and emphasizing the fact that in a NW the surface is where most of the action takes place, we discuss molecular sensing and molecular doping.

  10. Oriented growth of porphyrin-based molecular wires on ionic crystals analysed by nc-AFM

    PubMed Central

    Zimmerli, Lars; Kawai, Shigeki; Meyer, Ernst; Fendt, Leslie-Anne; Diederich, Francois

    2011-01-01

    Summary The growth of molecular assemblies at room temperature on insulating surfaces is one of the main goals in the field of molecular electronics. Recently, the directed growth of porphyrin-based molecular wires on KBr(001) was presented. The molecule–surface interaction associated with a strong dipole moment of the molecules was sufficient to bind them to the surface; while a stabilization of the molecular assemblies was reached due to the intermolecular interaction by π–π binding. Here, we show that the atomic structure of the substrate can control the direction of the wires and consequently, complex molecular assemblies can be formed. The electronic decoupling of the molecules by one or two monolayers of KBr from the Cu(111) substrate is found to be insufficient to enable comparable growth conditions to bulk ionic materials. PMID:21977413

  11. Coupled Array of Superconducting Nanowires

    NASA Astrophysics Data System (ADS)

    Ursache, Andrei

    2005-03-01

    We present experiments that investigate the collective behavior of arrays of superconducting lead nanowires with diameters smaller than the coherence length. The ultrathin (˜15nm) nanowires are grown by pulse electrodeposition into porous self-assembled P(S-b-MMA) diblock copolymer templates. The closely packed (˜24 nm spacing) 1-D superconducting nanowires stand vertically upon a thin normal (Au or Pt) film in a brush-like geometry. Thereby, they are coupled to each other by Andreev reflection at the S-N (Pb-Au) point contact interfaces. Magnetization measurements reveal that the ZFC/FC magnetic response of the coupled array system can be irreversible or reversible, depending on the orientation, perpendicular or parallel, of the applied magnetic field with respect to the coupling plane. As found by electric transport measurements, the coupled array system undergoes an in plane superconducting resistive transition at a temperature smaller than the Tc of an individual nanowire. Current-voltage characteristics throughout the transition region are also discussed. This work was supported by NSF grant DMI-0103024 and DMR-0213695.

  12. Effect of surface energy on size-dependent deformation twinning of defect-free Au nanowires

    NASA Astrophysics Data System (ADS)

    Hwang, Byungil; Kang, Mijeong; Lee, Subin; Weinberger, Christopher R.; Loya, Phillip; Lou, Jun; Oh, Sang Ho; Kim, Bongsoo; Han, Seung Min

    2015-09-01

    In this study, we report the size-dependent transition of deformation twinning studied using in situ SEM/TEM tensile testing of defect-free [110] Au nanowires/ribbons with controlled geometry. The critical dimension below which the ordinary plasticity transits to deformation twinning is experimentally determined to be ~170 nm for Au nanowires with equilateral cross-sections. Nanoribbons with a fixed thickness but increased width-to-thickness ratios (9 : 1) were also studied to show that an increase in the surface energy due to the crystal re-orientation suppresses the deformation twinning. Molecular dynamics simulations confirmed that the transition from partial dislocation mediated plasticity to perfect dislocation plasticity with increase in the width-to-thickness ratio is due to the effect of the surface energy.In this study, we report the size-dependent transition of deformation twinning studied using in situ SEM/TEM tensile testing of defect-free [110] Au nanowires/ribbons with controlled geometry. The critical dimension below which the ordinary plasticity transits to deformation twinning is experimentally determined to be ~170 nm for Au nanowires with equilateral cross-sections. Nanoribbons with a fixed thickness but increased width-to-thickness ratios (9 : 1) were also studied to show that an increase in the surface energy due to the crystal re-orientation suppresses the deformation twinning. Molecular dynamics simulations confirmed that the transition from partial dislocation mediated plasticity to perfect dislocation plasticity with increase in the width-to-thickness ratio is due to the effect of the surface energy. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03902a

  13. Highly-oriented molecular arrangements and enhanced magnetic interactions in thin films of CoTTDPz using PTCDA templates.

    PubMed

    Eguchi, Keitaro; Nanjo, Chihiro; Awaga, Kunio; Tseng, Hsiang-Han; Robaschik, Peter; Heutz, Sandrine

    2016-07-14

    In the present work, the templating effect of thin layers of perylene-3,4,9,10-tetracarboxylic dianhydride (PTCDA) on the growth of cobalt tetrakis(thiadiazole)porphyrazine (CoTTDPz) thin films was examined. X-ray diffraction and optical absorption spectra indicate that while CoTTDPz forms amorphous thin films on the bare substrates, it forms crystalline thin films on the PTCDA templates, in which the molecular planes of CoTTDPz are considered to be parallel to the substrates. Magnetic measurements reveal a significantly enhanced antiferromagnetic interaction of CoTTDPz in the templated thin films, with values reaching over 13 K. The ability to generate crystalline films and to control their orientation using molecular templates is an important strategy in the fields of organic electronics and spintronics in order to tailor the physical properties of organic thin films to suit their intended application. PMID:27183955

  14. Temperature-dependent orientation study of the initial growth of pentacene on amorphous SiO2 by molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Zeng, Yuanqi; Tao, Bo; Chen, Jiankui; Yin, Zhouping

    2015-11-01

    Temperature-dependent molecular orientations in the initial growth processes of pentacene on amorphous SiO2 surface with different substrate temperatures have been investigated using molecular dynamics simulations. As the substrate temperature ranges from 270 K to 600 K, there exists a transition behavior for pentacene cluster from the normal-oriented, ordered configuration to the lateral-oriented, disordered one as measured by the decreased average orientation angle and order parameter, showing the significant effect of the substrate temperature on the molecular orientation. The transition behavior is related to the strength relationship between molecule-molecule interactions and molecule-substrate interactions. During the optimal temperature range between 300 K and 350 K, the pentacene molecules tend to form the normal-oriented, well-ordered cluster driven by the dominant molecule-molecule interactions, which is affected by the substrate temperature in a greater degree than the molecule-substrate interactions. When the temperature is lower than 300 K, the ordering of pentacene cluster becomes a little worse. A higher substrate temperature results in the lateral orientation with the weakening of the molecule-molecule interactions. Then the further intensification of molecular thermal motion gradually makes the molecules separate from the cluster or the substrate surface, resulting in the appearance of the undesirable separated configuration.

  15. Chemical Sensing with Nanowires

    NASA Astrophysics Data System (ADS)

    Penner, Reginald M.

    2012-07-01

    Transformational advances in the performance of nanowire-based chemical sensors and biosensors have been achieved over the past two to three years. These advances have arisen from a better understanding of the mechanisms of transduction operating in these devices, innovations in nanowire fabrication, and improved methods for incorporating receptors into or onto nanowires. Nanowire-based biosensors have detected DNA in undiluted physiological saline. For silicon nanowire nucleic acid sensors, higher sensitivities have been obtained by eliminating the passivating oxide layer on the nanowire surface and by substituting uncharged protein nucleic acids for DNA as the capture strands. Biosensors for peptide and protein cancer markers, based on both semiconductor nanowires and nanowires of conductive polymers, have detected these targets at physiologically relevant concentrations in both blood plasma and whole blood. Nanowire chemical sensors have also detected several gases at the parts-per-million level. This review discusses these and other recent advances, concentrating on work published in the past three years.

  16. Spreading of Polymer Films at the Molecular Scale: Conformation, Orientation, and Fractionation.

    NASA Astrophysics Data System (ADS)

    Barrett, Michael; Nese, Alper; Matyjaszewski, Krzysztof; Sheiko, Sergei

    2009-03-01

    Previously, we have reported that comb-like polymer macromolecules undergo a plug-flow with an insignificant contribution of molecular diffusion (Phys. Rev. Lett. 93, 206103, 2004). It was also suggested that the composition of the flowing polymer melt was the same both inside the fluid reservoir (drop) and in the precursor film. This work called into question the macroscopic picture of polymer spreading. Through molecular imaging by AFM, we observe that macromolecules spread at different velocities depending on their size. We show that flow causes the molecules to align perpendicular to the flow direction We have also identified specific molecular conformations, such as hairpins, that become more abundant in spreading films. Lastly, we demonstrate that chain entanglements hinder permeation of long macromolecules from the drop to precursor film. These findings shed light on the molecular mechanism of spreading of polymer melts on natural, i.e. heterogeneous, substrates.

  17. Fluoropolymer Microstructure and Dynamics: Influence of Molecular Orientation Induced by Uniaxial Drawing

    NASA Astrophysics Data System (ADS)

    Miranda, Daniel; Yin, Chaoqing; Runt, James

    Fluorinated semi-crystalline polymer films are attractive for dielectric film applications due to their chemical inertness, heat resistance, and high thermal stability. In the present investigation we explore the influence of orientation induced by uniaxial drawing on the crystalline microstructure and relaxation processes of poly(ethylene-tetrafluoroethylene) (ETFE), in order to ascertain how morphological control can benefit polymer dielectric design. When drawn below or near the Tg, the crystallinity of the drawn films is unchanged, and oriented amorphous structures and crystalline microfibrils form at high draw ratios. This orientation slows segmental relaxation, reflected by an increase in the dynamic Tg, and also delays the transition to the high temperature crystalline form of ETFE. When drawing above the Tg, the films undergo strain-induced crystallization at high draw ratios. For these films an increase in the dynamic Tg is also observed, in addition to a second segmental relaxation process, appearing as a shoulder on the primary process. We propose that this represents a contribution from a rigid amorphous fraction, having slowed chain dynamics. Supported by Office of Naval Research.

  18. Simultaneous integration of different nanowires on single textured Si (100) substrates.

    PubMed

    Rieger, Torsten; Rosenbach, Daniel; Mussler, Gregor; Schäpers, Thomas; Grützmacher, Detlev; Lepsa, Mihail Ion

    2015-03-11

    By applying a texturing process to silicon substrates, we demonstrate the possibility to integrate III-V nanowires on (100) oriented silicon substrates. Nanowires are found to grow perpendicular to the {111}-oriented facets of pyramids formed by KOH etching. Having control of the substrate orientation relative to the incoming fluxes enables not only the growth of nanowires on selected facets of the pyramids but also studying the influence of the fluxes on the nanowire nucleation and growth. Making use of these findings, we show that nanowires with different dimensions can be grown on the same sample and, additionally, it is even possible to integrate nanowires of different semiconductor materials, for example, GaAs and InAs, on the very same sample. PMID:25650521

  19. Analysis of Pigment Orientation in Photosystem II at Different Temperatures by Polarization Fluorescence and Molecular Exciton Theory

    NASA Astrophysics Data System (ADS)

    Lu, L.; Wei, L.; Luo, X.; Ni, X.; Lu, J.

    2014-05-01

    The effect of temperature on pigment orientation in photosystem II (PSII) was studied by fl uorescence excitation and polarization fl uorescence spectra of spinach thylakoid solution and molecular exciton theory. Experimental results showed that at 15 to 45 °C, the absorption band of chlorophyll a at 436 nm at room tempe rature red-shifted with increased temperature. The excitation spectra intensity reached the maximum at 35 °C but signifi cantly dropped at 65 and 78 °C. The polarization fl uorescence spectra revealed that the fl uorescence peak of PSII did not change at 15 and 45 °C, and the calculated degree of fl uorescence polarization increased with increased temperature. Spectral and molecular exciton theory analyses indicated that temperature affected pigment orientation in PSII, as well as the coupling strength between pigments or pigment and protein, thereby changing photosynthetic effi ciency. These results can serve as a reference for studies on energy absorption, energy transmission, regulation mechanism, and prospective applications in solar cell materials.

  20. Unforeseen distance-dependent SERS spectroelectrochemistry from surface-tethered Nile Blue: the role of molecular orientation.

    PubMed

    Wilson, Andrew J; Willets, Katherine A

    2016-08-15

    Covalent immobilization of redox-active dyes is an important strategy to evaluate structure-activity relationships in nanoscale electrochemistry by using optical readouts such as surface-enhanced Raman scattering (SERS). Here we investigate the role of the tether length in the SERS spectroelectrochemistry of surface-attached Nile Blue. Differential pulse voltammetry and a potential-dependent SERS derivative analysis reveal that the Nile Blue molecules adopt a different orientation with respect to the electrode surface as the number of carbons in a carboxylic acid-terminated alkanethiol monolayer is varied, which leads to unique SERS spectroelectrochemical behaviors. We use the relative molecular orientations and spectral characteristics to propose a model in which tethers shorter than the length of the molecule limit molecular motion under electrochemical perturbation, but tethers longer than the length of the molecule allow dye intercalation into the hydrophobic self-assembled monolayer, producing an unexpected decrease in the SERS intensity when the molecule is in the oxidized form. PMID:27337143

  1. High-stability Finite-Length Silicon Nanowires: A Real Space Theoretical Study

    NASA Astrophysics Data System (ADS)

    Koukaras, E. N.; Zdetsis, A. D.; Garoufalis, C. S.

    2007-12-01

    We demonstrate by real-space density functional calculations that unreconstructed low-stability finite size hydrogenated silicon nanowires could bend through relaxation under the influence of internal strains, contrary to high-stability "magic" nanowires. The strains and the resulting bending depend on the distribution and orientation of silicon dihydrides on the nanowire's surface. This and other related effects cannot be accounted for by the usual k-space supercell techniques. We also demonstrate that reconstructed (2×1) nanowires, although bend they are practically as stable as the "magic" unreconstructed nanowires. Our calculations are in full agreement with the experimental work of Ma et al. [Science 299, 1874, (2003)].

  2. Copper Nanowire Production for Interconnect Applications

    NASA Technical Reports Server (NTRS)

    Han, Jin-Woo (Inventor); Meyyappan, Meyya (Inventor)

    2014-01-01

    A method of fabricating metallic Cu nanowires with lengths up to about 25 micrometers and diameters in a range 20-100 nanometers, or greater if desired. Vertically oriented or laterally oriented copper oxide structures (CuO and/or Cu2O) are grown on a Cu substrate. The copper oxide structures are reduced with 99+ percent H or H2, and in this reduction process the lengths decrease (to no more than about 25 micrometers), the density of surviving nanostructures on a substrate decreases, and the diameters of the surviving nanostructures have a range, of about 20-100 nanometers. The resulting nanowires are substantially pure Cu and can be oriented laterally (for local or global interconnects) or can be oriented vertically (for standard vertical interconnects).

  3. The Self- and Directed Assembly of Nanowires

    NASA Astrophysics Data System (ADS)

    Smith, Benjamin David

    This thesis explores the self- and directed assembly of nanowires. Specifically, we examine the driving forces behind nanowire self-assembly and the macro-structures that are formed. Particle-dense, oriented nanowire structures show promise in the fields of photonics, energy, sensing, catalysis, and electronics. Arrays of spherical particles have already found uses in electronic inks, sensing arrays, and many other commercial applications; but, it is a challenge to create specific arrays of morphologically and/or compositionally anisotropic particles. The following chapters illuminate the interactions that drive the assembly of anisotropic particles in high density solutions in the absence of applied fields or solution drying. Special emphasis is placed on the structures that are formed. The properties of micro- and nanoparticles and their assembly are introduced in Chapter 1. In particular, the properties of shape and material anisotropic particles are highlighted, while challenges in producing desired arrays are discussed. In this thesis, metallic nanowires of increasing complexity were used to examine the self-assembly behavior of both shape and material anisotropic particles. Nanowires were synthesized through templated electrodeposition. In this process, porous alumina membranes served as a template in which metal salts were reduced to form particles. Upon template dissolution, billions of nominally identical particles were released. We specifically focused on segmented, metallic nanowires 2-13 mum in length and 180 to 350 nm in diameter. Since these particles have strong van der Waals (VDWs) attractions, an electrostatically repulsive coating was necessary to prevent aggregation; we used small molecule, DNA, or amorphous silica coatings. Nanowires and their coatings were characterized by electron microscopy. In order to study self-assembly behavior, particle-dense aqueous suspensions were placed within an assembly chamber defined by a silicone spacer. The

  4. Locomotion of chemically powered autonomous nanowire motors

    NASA Astrophysics Data System (ADS)

    Wang, Lin; Li, Longqiu; Li, Tianlong; Zhang, Guangyu; Sun, Qian

    2015-08-01

    Physical insights on the hydrodynamics and locomotion of self-propelled nanowire motor under nonequilibrium steady state are investigated using finite element method in accordance with hybrid molecular dynamics/multiparticle collision dynamics and rigid body dynamics. Nanowire motor is discretized into finite segments, and forces of solvent molecule acting on the motor are assumed to be the sum of forces acting on all segments of the motor. We show that the locomotion of nanowire motor is mainly determined by the imbalance forces acting on the catalytic and noncatalytic segments. The average velocity along the axis increases significantly as a function of time prior to reaching equilibrium. The length of nanowire motor shows negligible effect on the velocity of the motor. Preliminary experimental results are provided to validate the current model.

  5. Positioned growth of InP nanowires

    NASA Astrophysics Data System (ADS)

    Poole, P. J.; Dalacu, D.; Lapointe, J.; Kam, A.; Mnaymneh, K.

    2011-02-01

    We describe two different approaches to growing precisely positioned InP nanowires on InP wafers. Both of these approaches utilize the selective area growth capabilities of Chemical Beam Epitaxy, one using the Au catalysed Vapour-Liquid-Solid (VLS) growth mode, the other being catalyst-free. Growth is performed on InP wafers which are first coated with 20 nm of SiO2. These are then patterned using e-beam lithography to create nanometer scale holes in the SiO2 layer to expose the InP surface. For the VLS growth Au is then deposited into the holes in the SiO2 mask layer using a self-aligned lift-off process. For the catalyst-free growth no Au is deposited. In both cases the deposition of InP results in the formation of InP nanowires. In VLS growth the nanowire diameter is controlled by the size of the Au particle, whereas when catalyst-free the diameter is that of the opening in the SiO2 mask. The orientation of the nanowires is also different, <111>B when using Au particles and <111>A when catalyst-free. For the catalysed growth the effect of the Au particle can be turned off by modifying growth conditions allowing the nanowire to be clad, dramatically enhancing the optical emission from InAs quantum dots grown inside the nanowire.

  6. Hyperbranched lead selenide nanowire networks.

    PubMed

    Zhu, Jia; Peng, Hailin; Chan, Candace K; Jarausch, Konrad; Zhang, Xiao Feng; Cui, Yi

    2007-04-01

    Lead chalcogenide nanostructures are good potential candidates for applications in multiexciton solar cells, infrared photodetectors, and electroluminescence devices. Here we report the synthesis and electrical measurements of hyperbranched PbSe nanowire networks. Hyperbranched PbSe nanowire networks are synthesized via a vapor-liquid-solid (VLS) mechanism. The branching is induced by continuously feeding the PbSe reactant with the vapor of a low-melting-point metal catalyst including In, Ga, and Bi. The branches show very regular orientation relationships: either perpendicular or parallel to each other. The diameter of the individual NWs depends on the size of the catalyst droplets, which can be controlled by the catalyst vapor pressure. Significantly, the hyperbranched networks can be grown epitaxially on NaCl, a low-cost substrate for future device array applications. Electrical measurements across branched NWs show the evolution of charge carrier transport with distance and degree of branching. PMID:17348716

  7. Molecular orientation behavior of chiral nematic liquid crystals based on the presence of blue phases using polarized microscopic FT-IR spectroscopy

    NASA Astrophysics Data System (ADS)

    Matsumura, Masanori; Katayama, Norihisa

    2016-07-01

    Study on molecular orientation behavior of highly twisted chiral nematic liquid crystals (N∗LCs) expressing blue phases (BPs) is important for developing new devices. This study examines the change of molecular orientation of N∗LCs due to the presence of BPs. Polarized microscopic FT-IR spectroscopy was used to study the in- and out-of-plane molecular orientations of N∗LCs that undergo a phase transition involving BPs. The band intensity ratio of CN to CH2 stretching modes (CN/CH2) in the IR spectra was used to determine the orientation of N∗LC molecules. The measured spectra indicated that the helical axis of N∗LC molecules was perpendicular to the substrate before heating and inclined on the substrate after cooling the sample which has phase transition from BP I to chiral nematic (N∗). The N∗LC molecule in the cell of rubbed orientation film exhibited the in-plane anisotropy after a heating-cooling ramp only in samples that passed through BP I. These results indicate that the changes of molecular orientation of N∗LC by phase transition are affected by BP I.

  8. Fabrication, characterization and applications of magnetic nanowire arrays

    NASA Astrophysics Data System (ADS)

    Sharma, Gaurav

    Fe-Co-Ni ternary alloy nanowire arrays 32--106 nm in diameter are fabricated within nanoporous alumina membranes using 15 Vrms alternating current electrodeposition at frequencies of 50, 250, 500, 750, and 1000 Hz. The alumina membranes, 10--15 microns thick, are synthesized by anodization of aluminum foil using a two-step technique to increase pore uniformity. The alumina membrane structure is tailored with the end aim being uniform magnetic nanowire electrodeposition. Using an electrodeposition frequency of 1000 Hz, 15 Vrms, consistently and repeatably yield nanowire arrays over membranes several cm2 in extent. Electrochemical Impedance Spectroscopy (EIS) is used to explain the effects of AC electrodeposition frequency. The impedance of the residual alumina barrier layer, separating the underlying aluminum metal and the nanoporous membrane, decreases drastically with electrodeposition frequency facilitating uniform pore-filling of samples several cm2 in area. The magnetic coercivity and hysteresis loop squareness-ratio (Mr/Ms) were studied as functions of electrolyte composition, nanowire diameter, and nanowire aspect ratio. Anodic polarization studies on thin films having alloy compositions identical to the nanowires display excellent corrosion resistance properties. Two potential applications of the nanowire arrays are investigated. Iron nanowire arrays, oriented perpendicular to the substrate, are fabricated by electrodeposition of iron in nanoporous alumina membranes, followed by precise wet etching of the alumina membrane to partially expose the nanowire array. It is shown that oxidation of standing iron nanowire arrays, at 600°C in an oxygen ambient leads to standing alpha-Fe2O3 (hematite) nanowire arrays. These hematite nanowire arrays show a distinct photocurrent response and can be used as photocatalysts. Second, protein adsorption studies on standing Fe-Co-Ni nanowire arrays and flat Fe-Co-Ni thin films show that nanowire array morphology leads to

  9. Propulsion of nanowire diodes.

    PubMed

    Calvo-Marzal, Percy; Sattayasamitsathit, Sirilak; Balasubramanian, Shankar; Windmiller, Joshua R; Dao, Cuong; Wang, Joseph

    2010-03-14

    The propulsion of semiconductor diode nanowires under external AC electric field is described. Such fuel-free electric field-induced nanowire propulsion offers considerable promise for diverse technological applications. PMID:20177595

  10. Comparison of GaN nanowires grown on c-, r- and m-plane sapphire substrates

    NASA Astrophysics Data System (ADS)

    Maliakkal, Carina B.; Rahman, A. Azizur; Hatui, Nirupam; Chalke, Bhagyashree A.; Bapat, Rudheer D.; Bhattacharya, Arnab

    2016-04-01

    Gallium nitride nanowires were grown on c-plane, r-plane and m-plane sapphire substrates in a showerhead metalorganic chemical vapor deposition system using nickel catalyst with trimethylgallium and ammonia as precursors. We studied the influence of carrier gas, growth temperature, reactor pressure, reactant flow rates and substrate orientation in order to obtain thin nanowires. The nanowires grew along the < 10 1 bar 1 > and < 10 1 bar 0 > axes depending on the substrate orientation. These nanowires were further characterized using x-ray diffraction, electron microscopy, photoluminescence and Raman spectroscopy.

  11. Effects of excluded volume and correlated molecular orientations on Förster resonance energy transfer in liquid water

    SciTech Connect

    Yang, Mino

    2014-04-14

    Förster theory for the survival probability of excited chromophores is generalized to include the effects of excluded volume and orientation correlation in the molecular distribution. An analytical expression for survival probability was derived and written in terms of a few simple elementary functions. Because of the excluded volume, the survival probability exhibits exponential decay at early times and stretched exponential decay at later times. Experimental schemes to determine the size of the molecular excluded volume are suggested. With the present generalization of theory, we analyzed vibrational resonance energy transfer kinetics in neat water. Excluded volume effects prove to be important and slow down the kinetics at early times. The majority of intermolecular resonance energy transfer was found to occur with exponential kinetics, as opposed to the stretched exponential behavior predicted by Förster theory. Quantum yields of intra-molecular vibrational relaxation, intra-, and intermolecular energy transfer were calculated to be 0.413, 0.167, and 0.420, respectively.

  12. Magneto-optical Kerr effect spectroscopy--a sensitive tool for investigating the molecular orientation in organic semiconductor films.

    PubMed

    Bräuer, Björn; Fronk, Michael; Lehmann, Daniel; Zahn, Dietrich R T; Salvan, Georgeta

    2009-11-12

    The detection and control of the molecular growth mode is a key prerequisite for fabricating opto-electronic devices. In this work we present the magneto-optical Kerr effect (MOKE) spectroscopy to be a highly sensitive method for the detection of the molecular orientation. On the example of metal free phthalocyanine (H(2)Pc) in thin films, it will be shown that also for diamagnetic molecules a strong magneto-optical response can be expected. The growth mode and thus the intensity of the MOKE signal of H2Pc is strongly influenced by a templating effect using ultrathin layers of 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA). From the MOKE spectra in the energy range from 1.5 to 5.0 eV and the optical constants, the Voigt constant of thin organic films was determined. From the strong in-plane/out-of-plane anisotropy of the optical constants and the value of the Voigt constant the average molecular tilt angle of H2Pc molecules with respect to the substrate plane can be obtained. PMID:19888764

  13. Functionality-oriented molecular gels: synthesis and properties of nitrobenzoxadiazole (NBD)-containing low-molecular mass gelators.

    PubMed

    Yu, Hang; Lü, Yanchao; Chen, Xiangli; Liu, Kaiqiang; Fang, Yu

    2014-12-01

    Two nitrobenzoxadiazole (NBD)-containing cholesteryl (Chol) derivatives were prepared by introducing d/l-phenylalanine into the linkers between the NBD and Chol units. The compounds were denoted as and , respectively. The gelation behaviors of them were tested in 34 liquids. It was found that the chirality of the linkers shows a great effect on the gelation ability and the gel properties of the two compounds. SEM studies demonstrated that the gelator in the gel of /DMSO aggregated into uniform fibrous structures. FTIR, (1)H NMR and UV-Vis spectroscopy measurements revealed that intermolecular hydrogen bonding and π-π stacking are two main driving forces to promote the gel formation. Interestingly, the /DMSO gel exhibits rapid and reproducible gel-sol phase transition and fluorescence quenching upon introduction of ammonia. Furthermore, both the gel and the fluorescence emission could be fully recovered upon evaporation of the ammonia gas introduced. Spectroscopy and model system studies revealed the association of ammonia with the nitro group of the NBD unit of the compound, which is recognized as the main reason for the chemical responses of the gel system. On the basis of the discovery, an ammonia sensing film had been fabricated and made into a device. Furthermore, a device-based and conceptual "ammonia leaking" monitoring instrument was developed. A preliminary test demonstrated that the performance of the system is exceptionally good, a typical and persuasive example to show the important real-life applications of molecular gels. PMID:25318390

  14. Visualization of molecular fluorescence point spread functions via remote excitation switching fluorescence microscopy

    NASA Astrophysics Data System (ADS)

    Su, Liang; Lu, Gang; Kenens, Bart; Rocha, Susana; Fron, Eduard; Yuan, Haifeng; Chen, Chang; van Dorpe, Pol; Roeffaers, Maarten B. J.; Mizuno, Hideaki; Hofkens, Johan; Hutchison, James A.; Uji-I, Hiroshi

    2015-02-01

    The enhancement of molecular absorption, emission and scattering processes by coupling to surface plasmon polaritons on metallic nanoparticles is a key issue in plasmonics for applications in (bio)chemical sensing, light harvesting and photocatalysis. Nevertheless, the point spread functions for single-molecule emission near metallic nanoparticles remain difficult to characterize due to fluorophore photodegradation, background emission and scattering from the plasmonic structure. Here we overcome this problem by exciting fluorophores remotely using plasmons propagating along metallic nanowires. The experiments reveal a complex array of single-molecule fluorescence point spread functions that depend not only on nanowire dimensions but also on the position and orientation of the molecular transition dipole. This work has consequences for both single-molecule regime-sensing and super-resolution imaging involving metallic nanoparticles and opens the possibilities for fast size sorting of metallic nanoparticles, and for predicting molecular orientation and binding position on metallic nanoparticles via far-field optical imaging.

  15. REVIEW ARTICLE: Effects of light on molecular orientation of liquid crystals

    NASA Astrophysics Data System (ADS)

    Simoni, F.; Francescangeli, O.

    1999-10-01

    A review of basic physical phenomena underlying the light-induced molecular reorientation in nematic liquid crystals is presented. A detailed description of the mechanisms of direct optical torque, photoisomerization and photorefractivity and of their effect on the macroscopic order of liquid crystals is reported. The first part of the article deals with the study of reorientation effects in transparent liquid crystalline materials. Here, the effects of photo-induced molecular reorientation are fully interpreted within the framework of classical electrodynamics and standard continuum theory of liquid crystals. We investigate the peculiar properties related to the macroscopic anisotropy and the collective behaviour of liquid crystals that result in extraordinarily large nonlinear optical response. Afterwards, the behaviour of liquid crystals in the presence of light absorption is considered and the related reorientation effects are discussed. We give a review of the wide phenomenology which is met in liquid crystals when doped with absorbing azo-dye molecules. The photoisomerization process that in this case drives the evolution of the dye-liquid crystal mixture consequent to the interaction with the light is discussed in detail. Finally, the relatively new field of photorefractivity in liquid crystals as a source of molecular reorientation is considered. We describe the different mechanisms contributing to the creation of a space-charge field such as conductivity anisotropy, dielectric anisotropy and photocharge production. A theoretical discussion of the fundamental mechanisms regulating the dc-field-assisted optically induced space-charge fields and the optical molecular reorientation in nematic liquid crystal films is also given.

  16. Semiclassical complex-time method for tunneling ionization: Molecular suppression and orientational dependence

    SciTech Connect

    Gallup, Gordon A.; Fabrikant, Ilya I.

    2010-03-15

    We apply a previously developed semiclassical complex time method to the calculation of tunneling ionization of several diatomic molecules and CO{sub 2}. We investigate the presence or absence of the molecular suppression effect by calculating ionization rates of N{sub 2} versus Ar, O{sub 2} versus Xe, F{sub 2} versus Ar, and CO versus Kr. Comparisons with other theories, including the molecular-orbital-Ammosov-Delone-Krainov (MO-ADK) model and the strong-field approximation, are given. We also analyze the dependence of the ionization rate on the angle {theta}{sub F} between the molecular axis and the field direction. The theoretical results agree quite well with experiment for N{sub 2} and O{sub 2} but give too low a value of the peak angle {theta}{sub F} for CO{sub 2}. Our calculations give small values of the ionization rates for O{sub 2} and CO{sub 2} at {theta}{sub F}=0 and 90 deg., in agreement with experiment. Other calculations, including the MO-ADK model and methods involving a numerical integration of the time-dependent Schroedinger equation, exhibit substantially weaker suppression at these angles.

  17. Liquid crystal orientation on solution processed zinc oxide inorganic films according to molecular concentration

    NASA Astrophysics Data System (ADS)

    Lee, Jong-Jin; Han, Jae-Jun; Park, Hong-Gyu; Kim, Dai-Hyun; Byun, Sang-Un; Seo, Dae-Shik

    2013-10-01

    In this paper we present the characteristics of molar concentration-dependent zinc oxide (ZnO) inorganic films deposited by the solution process for application in liquid crystal displays. ZnO surfaces supported homogeneously aligned liquid crystal (LC) molecules based on an ion-beam (IB) irradiation system. Uniform LC alignment was obtained at ZnO molar concentrations greater than 0.25 mol l-1. X-ray photoelectron spectroscopic (XPS) analysis revealed that changes in the orientation of LC molecules occurred on the ZnO layer. The electro-optic characteristics of the aligned homogenous LCs and twisted nematic (TN) mode based on the ZnO layer were comparable to those based on polyimide, which showed good potential as ZnO surfaces as an alignment layer.

  18. Molecular conformation and orientational order in nCB liquid crystals

    NASA Astrophysics Data System (ADS)

    Kobinata, Shunsuke; Kobayashi, Takamichi; Yoshida, Hiroshi; Chandani, A. D. L.; Maeda, Shiro

    1986-08-01

    A resonance Raman probe method for determining the second and fourth orientational order parameters ( P¯2 and P¯4) in liquid crystals is described. The method was applied to a series of nematic nCB near the nematic—isotropic transition temperature, using all trans β-carotene as a resonant probe. Both P¯2 and P¯4, thus obtained show a distinct even—odd effect, that is, zigzag change of the parameter value against the length of alkyl end chain. The origin of the even—odd effect was investigated by the mean field theory, taking the conformation variety of end chain into account following the method of Marcelja. On the basis of calculation, the function of the alkyl chain in the formation of the liquid crystalline state is discussed.

  19. Conformation, orientation and interaction in molecular monolayers: A surface second harmonic and sum frequency generation study

    SciTech Connect

    Superfine, R.; Huang, J.Y.; Shen, Y.R.

    1988-12-01

    We have used sum frequency generation (SFG) to study the order in a silane monolayer before and after the deposition of a coadsorbed liquid crystal monolayer. We observe an increase in the order of the chain of the silane molecule induced by the interpenetration of the liquid crystal molecules. By using second harmonic generation (SHG) and SFG, we have studied the orientation and conformation of the liquid crystal molecule on clean and silane coated glass surfaces. On both surfaces, the biphenyl group is tilted by 70{degree} with the alkyl chain end pointing away from the surface. The shift in the C-H stretch frequencies in the coadsorbed system indicates a significant interaction between molecules. 9 refs., 3 figs.

  20. Nematic twist-bend phase with nanoscale modulation of molecular orientation

    PubMed Central

    Borshch, V.; Kim, Y.-K.; Xiang, J.; Gao, M; Jákli, A; Panov, V. P.; Vij, J. K.; Imrie, C. T.; Tamba, M. G.; Mehl, G. H.; Lavrentovich, O. D.

    2013-01-01

    A state of matter in which molecules show a long-range orientational order and no positional order is called a nematic liquid crystal. The best known and most widely used (for example, in modern displays) is the uniaxial nematic, with the rod-like molecules aligned along a single axis, called the director. When the molecules are chiral, the director twists in space, drawing a right-angle helicoid and remaining perpendicular to the helix axis; the structure is called a chiral nematic. Here using transmission electron and optical microscopy, we experimentally demonstrate a new nematic order, formed by achiral molecules, in which the director follows an oblique helicoid, maintaining a constant oblique angle with the helix axis and experiencing twist and bend. The oblique helicoids have a nanoscale pitch. The new twist-bend nematic represents a structural link between the uniaxial nematic (no tilt) and a chiral nematic (helicoids with right-angle tilt). PMID:24189583

  1. Direct observation of oriented molecular adsorption at step edges: a cryogenic scanning tunneling microscopy study

    NASA Astrophysics Data System (ADS)

    Frank, E. R.; Chen, X. X.; Hamers, R. J.

    1995-07-01

    A cryogenic scanning tunneling microscope has been used to investigate the adsorption of thiophene, 2,5-dimethylthiophene, and 2,2'-bithiophene on the Ag(111) surface at 120 K. STM images reveal that all three molecules preferentially bond at step edges. Images of 2,2'-bithiophene and 2,5-dimethylthiophene at the step edge show them to be elongated, while thiophene molecules appear nearly circular. The observed elongation for 2,2'-bithiophene and 2,5-dimethylthiophene is attributed to geometric contrast reflecting the intrinsic shape of these molecules. All molecules of a given chemical identity appear to be oriented in the same direction with respect to the step edge, demonstrating that the interactions between the molecules and the step edge are sufficiently strong and sufficiently local to hold the molecules in specific rotational configurations at the step edge.

  2. Nanowire-based detector

    DOEpatents

    Berggren, Karl K; Hu, Xiaolong; Masciarelli, Daniele

    2014-06-24

    Systems, articles, and methods are provided related to nanowire-based detectors, which can be used for light detection in, for example, single-photon detectors. In one aspect, a variety of detectors are provided, for example one including an electrically superconductive nanowire or nanowires constructed and arranged to interact with photons to produce a detectable signal. In another aspect, fabrication methods are provided, including techniques to precisely reproduce patterns in subsequently formed layers of material using a relatively small number of fabrication steps. By precisely reproducing patterns in multiple material layers, one can form electrically insulating materials and electrically conductive materials in shapes such that incoming photons are redirected toward a nearby electrically superconductive materials (e.g., electrically superconductive nanowire(s)). For example, one or more resonance structures (e.g., comprising an electrically insulating material), which can trap electromagnetic radiation within its boundaries, can be positioned proximate the nanowire(s). The resonance structure can include, at its boundaries, electrically conductive material positioned proximate the electrically superconductive nanowire such that light that would otherwise be transmitted through the sensor is redirected toward the nanowire(s) and detected. In addition, electrically conductive material can be positioned proximate the electrically superconductive nanowire (e.g. at the aperture of the resonant structure), such that light is directed by scattering from this structure into the nanowire.

  3. Growth of epitaxial silicon and germanium nanowires using the gold catalyzed vapor-liquid-solid mechanism

    NASA Astrophysics Data System (ADS)

    Dailey, Eric J.

    The growth of silicon and germanium nanowires and their nanowire heterostructures has been investigated using the gold catalyzed vapor-liquid-solid (VLS) mechanism. The Au catalyst particles were deposited under ultra high vacuum (UHV) conditions onto vicinal Si(111) surfaces using physical vapor deposition. Nanowires were grown in a home built UHV-chemical vapor deposition (CVD) chamber using silane, disilane, germane, and digermane as gas precursors. Silicon nanowire morphology was determined to be dependent on the stability of the gold catalyst particle at the tip of the nanowire. Specifically, silicon nanowires grow along <111> orientations when gold wets the nanowire sidewalls and along <112> orientations when gold does not wet the nanowire sidewalls except under a very narrow pressure range. The dependence of gold coverage on CVD parameters on the sidewalls of <111> and <112> silicon nanowires was also determined revealing a liquid metal wetting of cylinders phenomenon. A new "seedless" VLS mechanism for nanowire growth was also determined in which the Stranski-Krastanov planar gold layer on Si(111) dewets under certain CVD conditions resulting in 15 nm diameter gold seeds that then form nanowires via the VLS mechanism. Both core/shell and axial nanowire heterostructures were also investigated with a focus on the effect of nanowire orientation on heterostructure formation. For core/shell heterostructures, only the <110> germanium core/silicon shell heterostructures were determined to form with smooth shell deposition while all other orientations underwent shell roughening. Various germanium core diameters and silicon shell thicknesses for <110> germanium core/silicon shell heterostructures were analyzed to determine the effect of nanowire diameter on shell coherency limits and to determine the strain within the nanowire heterostructures. Lastly, axial nanowire heterostructures were investigated to determine the ability to form axial heterostructures using

  4. InAs nanowire formation on InP(001)

    SciTech Connect

    Parry, H. J.; Ashwin, M. J.; Jones, T. S.

    2006-12-01

    The heteroepitaxial growth of InAs on InP(001) by solid source molecular beam epitaxy has been studied for a range of different growth temperatures and annealing procedures. Atomic force microscopy images show that nanowires are formed for deposition in the temperature range of 400-480 deg. C, and also following high temperature annealing (480 deg. C) after deposition at 400 deg. C. The wires show preferential orientation along <110> and often exhibit pronounced serpentine behavior due to the presence of kinks, an effect that is reduced at increasing growth temperature. The results suggest that the serpentine behavior is related to the degree of initial surface order. Kinks in the wires appear to act as nucleation centers for In adatoms migrating along the wires during annealing, leading to the coexistence of large three-dimensional islands.

  5. Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study.

    PubMed

    Marracino, Paolo; Liberti, Micaela; Trapani, Erika; Burnham, Christian J; Avena, Massimiliano; Garate, José-Antonio; Apollonio, Francesca; English, Niall J

    2016-01-01

    Human aquaporin 4 has been studied using molecular dynamics (MD) simulations in the absence and presence of pulses of external static electric fields. The pulses were 10 ns in duration and 0.012-0.065 V/Å in intensity acting along both directions perpendicular to the pores. Water permeability and the dipolar response of all residues of interest (including the selectivity filter) within the pores have been studied. Results showed decreased levels of water osmotic permeability within aquaporin channels during orthogonally-oriented field impulses, although care must be taken with regard to statistical certainty. This can be explained observing enhanced "dipolar flipping" of certain key residues, especially serine 211, histidine 201, arginine 216, histidine 95 and cysteine 178. These residues are placed at the extracellular end of the pore (serine 211, histidine 201, and arginine 216) and at the cytoplasm end (histidine 95 and cysteine 178), with the key role in gating mechanism, hence influencing water permeability. PMID:27428954

  6. Templated Synthesis of Uniform Perovskite Nanowire Arrays.

    PubMed

    Ashley, Michael J; O'Brien, Matthew N; Hedderick, Konrad R; Mason, Jarad A; Ross, Michael B; Mirkin, Chad A

    2016-08-17

    While the chemical composition of semiconducting metal halide perovskites can be precisely controlled in thin films for photovoltaic devices, the synthesis of perovskite nanostructures with tunable dimensions and composition has not been realized. Here, we describe the templated synthesis of uniform perovskite nanowires with controlled diameter (50-200 nm). Importantly, by providing three examples (CH3NH3PbI3, CH3NH3PbBr3, and Cs2SnI6), we show that this process is composition general and results in oriented nanowire arrays on transparent conductive substrates. PMID:27501464

  7. Electronic Structures of Free-Standing Nanowires made from Indirect Bandgap Semiconductor Gallium Phosphide

    NASA Astrophysics Data System (ADS)

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

    2016-06-01

    We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)—a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and rectangular cross sections, and [111]-oriented GaP nanowires with hexagonal cross sections. Based on tight binding models, both the band structures and wave functions of the nanowires are calculated. For the [001]-oriented GaP nanowires, the bands show anti-crossing structures, while the bands of the [111]-oriented nanowires display crossing structures. Two minima are observed in the conduction bands, while the maximum of the valence bands is always at the Γ-point. Using double group theory, we analyze the symmetry properties of the lowest conduction band states and highest valence band states of GaP nanowires with different sizes and directions. The band state wave functions of the lowest conduction bands and the highest valence bands of the nanowires are evaluated by spatial probability distributions. For practical use, we fit the confinement energies of the electrons and holes in the nanowires to obtain an empirical formula.

  8. Electronic Structures of Free-Standing Nanowires made from Indirect Bandgap Semiconductor Gallium Phosphide

    PubMed Central

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

    2016-01-01

    We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)—a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and rectangular cross sections, and [111]-oriented GaP nanowires with hexagonal cross sections. Based on tight binding models, both the band structures and wave functions of the nanowires are calculated. For the [001]-oriented GaP nanowires, the bands show anti-crossing structures, while the bands of the [111]-oriented nanowires display crossing structures. Two minima are observed in the conduction bands, while the maximum of the valence bands is always at the Γ-point. Using double group theory, we analyze the symmetry properties of the lowest conduction band states and highest valence band states of GaP nanowires with different sizes and directions. The band state wave functions of the lowest conduction bands and the highest valence bands of the nanowires are evaluated by spatial probability distributions. For practical use, we fit the confinement energies of the electrons and holes in the nanowires to obtain an empirical formula. PMID:27307081

  9. Electronic Structures of Free-Standing Nanowires made from Indirect Bandgap Semiconductor Gallium Phosphide.

    PubMed

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

    2016-01-01

    We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)-a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and rectangular cross sections, and [111]-oriented GaP nanowires with hexagonal cross sections. Based on tight binding models, both the band structures and wave functions of the nanowires are calculated. For the [001]-oriented GaP nanowires, the bands show anti-crossing structures, while the bands of the [111]-oriented nanowires display crossing structures. Two minima are observed in the conduction bands, while the maximum of the valence bands is always at the Γ-point. Using double group theory, we analyze the symmetry properties of the lowest conduction band states and highest valence band states of GaP nanowires with different sizes and directions. The band state wave functions of the lowest conduction bands and the highest valence bands of the nanowires are evaluated by spatial probability distributions. For practical use, we fit the confinement energies of the electrons and holes in the nanowires to obtain an empirical formula. PMID:27307081

  10. Nonlinear Optical Properties of Fluorescent Dyes Allow for Accurate Determination of Their Molecular Orientations in Phospholipid Membranes.

    PubMed

    Timr, Štěpán; Brabec, Jiří; Bondar, Alexey; Ryba, Tomáš; Železný, Miloš; Lazar, Josef; Jungwirth, Pavel

    2015-07-30

    Several methods based on single- and two-photon fluorescence detected linear dichroism have recently been used to determine the orientational distributions of fluorescent dyes in lipid membranes. However, these determinations relied on simplified descriptions of nonlinear anisotropic properties of the dye molecules, using a transition dipole-moment-like vector instead of an absorptivity tensor. To investigate the validity of the vector approximation, we have now carried out a combination of computer simulations and polarization microscopy experiments on two representative fluorescent dyes (DiI and F2N12S) embedded in aqueous phosphatidylcholine bilayers. Our results indicate that a simplified vector-like treatment of the two-photon transition tensor is applicable for molecular geometries sampled in the membrane at ambient conditions. Furthermore, our results allow evaluation of several distinct polarization microscopy techniques. In combination, our results point to a robust and accurate experimental and computational treatment of orientational distributions of DiI, F2N12S, and related dyes (including Cy3, Cy5, and others), with implications to monitoring physiologically relevant processes in cellular membranes in a novel way. PMID:26146848

  11. Probing molecular pathways for DNA orientational trapping, unzipping and translocation in nanopores by using a tunable overhang sensor

    NASA Astrophysics Data System (ADS)

    Wang, Yong; Tian, Kai; Hunter, Lehr L.; Ritzo, Brandon; Gu, Li-Qun

    2014-09-01

    Nanopores provide a unique single-molecule platform for genetic and epigenetic detection. The target nucleic acids can be accurately analyzed by characterizing their specific electric fingerprints or signatures in the nanopore. Here we report a series of novel nanopore signatures generated by target nucleic acids that are hybridized with a probe. A length-tunable overhang appended to the probe functions as a sensor to specifically modulate the nanopore current profile. The resulting signatures can reveal multiple mechanisms for the orientational trapping, unzipping, escaping and translocation of nucleic acids in the nanopore. This universal approach can be used to program various molecular movement pathways, elucidate their kinetics, and enhance the sensitivity and specificity of the nanopore sensor for nucleic acid detection.Nanopores provide a unique single-molecule platform for genetic and epigenetic detection. The target nucleic acids can be accurately analyzed by characterizing their specific electric fingerprints or signatures in the nanopore. Here we report a series of novel nanopore signatures generated by target nucleic acids that are hybridized with a probe. A length-tunable overhang appended to the probe functions as a sensor to specifically modulate the nanopore current profile. The resulting signatures can reveal multiple mechanisms for the orientational trapping, unzipping, escaping and translocation of nucleic acids in the nanopore. This universal approach can be used to program various molecular movement pathways, elucidate their kinetics, and enhance the sensitivity and specificity of the nanopore sensor for nucleic acid detection. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr03195d

  12. A first-principles study of the thermodynamic and electronic properties of Mg and MgH2 nanowires.

    PubMed

    Wu, Xinxing; Zhang, Ruiqi; Yang, Jinlong

    2016-07-28

    In this article, we studied the thermodynamic and electronic properties of Mg and MgH2 nanowires with different diameters, and elucidated why MgH2 nanowires are good hydrogen storage materials through first-principles calculations. Previous experiments have shown that the orientation relationship between Mg and MgH2 nanowires is the Mg[0001] direction parallel to the MgH2[110] direction. In our calculations, Mg nanowires oriented along the [0001] direction and MgH2 nanowires oriented along the [110] direction were built from bulk Mg and MgH2 crystals, respectively. We found that as the diameters of Mg and MgH2 nanowires decrease, Mg and MgH2 nanowires become more unstable, and the hydrogen desorption energies and temperatures of MgH2 nanowires decrease. That is, the thinner the MgH2 nanowires get, the more dramatically hydrogen desorption temperatures (Td) will decrease. Meanwhile, we also found that when the diameters of MgH2 nanowires are larger than 1.94 nm, the Td almost maintain the same value at about 440 K, only about 40 K lower than that of bulk MgH2 crystal; if the diameters are less than 1.94 nm, the Td reduce very quickly. In particular, compared with bulk MgH2 crystal, the Td of the thinnest MgH2 nanowire with a diameter of 0.63 nm can be reduced by 164 K. In addition, the electronic structure calculations showed that Mg nanowires are metals, while MgH2 nanowires are semiconductors. In particular, our results showed that the electronic structures of MgH2 nanowires are influenced by the surface effect and quantum size effect. That is to say, the band gaps of MgH2 nanowires are controlled by surface electronic states and the size of MgH2 nanowires. PMID:27376680

  13. Conformationally Constrained Penta(hetero)cyclic Molecular Architectures via Photoassisted Diversity-Oriented Synthesis

    PubMed Central

    Umstead, Weston J.; Mukhina, Olga A.

    2015-01-01

    Intramolecular cycloadditions of photogenerated azaxylylenes provide access to unprecedented polyheterocyclic scaffolds, suitable for subsequent postphotochemical modifications to further grow molecular complexity. Here we explore approaches to rapid “assembly” of novel photoprecursors with nitrogen/oxygen-rich tethers capable of producing potential pharmacophores and also compatible with subsequent 1,3-dipolar cycloadditions to furnish pentacyclic heterocycles with new structural cores, minimal number of rotatable bonds, and a high content of sp3 hybridized carbons. The modular “assembly” of the photoprecursors and potential variety of postphotochemical modifications of primary photoproducts provide framework for combinatorial implementation of this synthetic strategy. PMID:26257575

  14. Complete description of ionization energy and electron affinity in organic solids: Determining contributions from electronic polarization, energy band dispersion, and molecular orientation

    NASA Astrophysics Data System (ADS)

    Yoshida, Hiroyuki; Yamada, Kazuto; Tsutsumi, Jun'ya; Sato, Naoki

    2015-08-01

    Ionization energy and electron affinity in organic solids are understood in terms of a single molecule perturbed by solid-state effects such as polarization energy, band dispersion, and molecular orientation as primary factors. However, no work has been done to determine the individual contributions experimentally. In this work, the electron affinities of thin films of pentacene and perfluoropentacene with different molecular orientations are determined to a precision of 0.1 eV using low-energy inverse photoemission spectroscopy. Based on the precisely determined electron affinities in the solid state together with the corresponding data of the ionization energies and other energy parameters, we quantitatively evaluate the contribution of these effects. It turns out that the bandwidth as well as the polarization energy contributes to the ionization energy and electron affinity in the solid state while the effect of the surface dipole is at most a few eV and does not vary with the molecular orientation. As a result, we conclude that the molecular orientation dependence of the ionization energy and electron affinity of organic solids originates from the orientation-dependent polarization energy in the film.

  15. Fabrication of multilayer nanowires

    NASA Astrophysics Data System (ADS)

    Kaur, Jasveer; Singh, Avtar; Kumar, Davinder; Thakur, Anup; Kaur, Raminder

    2016-05-01

    Multilayer nanowires were fabricated by potentiostate ectrodeposition template synthesis method into the pores of polycarbonate membrane. In present work layer by layer deposition of two different metals Ni and Cu in polycarbonate membrane having pore size of 600 nm were carried out. It is found that the growth of nanowires is not constant, it varies with deposition time. Scanning electron microscopy (SEM) is used to study the morphology of fabricated multilayer nanowires. An energy dispersive X-ray spectroscopy (EDS) results confirm the composition of multilayer nanowires. The result shows that multilayer nanowires formed is dense.

  16. Molecular abnormality of an inactive aldehyde dehydrogenase variant commonly found in Orientals.

    PubMed Central

    Yoshida, A; Huang, I Y; Ikawa, M

    1984-01-01

    Usual human livers contain two major aldehyde dehydrogenase [(ALDH) aldehyde:NAD+ oxidoreductase] isozymes--i.e., a cytosolic ALDH1 component and a mitochondrial ALDH2 component--whereas approximately equal to 50% of Orientals are "atypical" and have only the ALDH1 isozyme and are missing the ALDH2 isozyme. We previously demonstrated that atypical livers contain an enzymatically inactive but immunologically crossreactive material (CRM) corresponding to the ALDH2 component. The enzymatically active ALDH2 obtained from a usual liver and the CRM obtained from an atypical liver were reduced, S-carboxymethylated, and digested by trypsin. Separation of their digests by high-performance reverse-phase chromatography and by two-dimensional paper chromatography and electrophoresis revealed that ALDH2 contained a peptide sequence of -Glu-Leu-Gly-Glu-Ala-Gly-Leu-Gln-Ala-Asn-Val-Gln-Val-Lys- and that the glutamine adjacent to lysine was substituted by lysine in CRM. All other tryptic peptides, including eight peptides containing S-carboxymethylcysteine, were common in ALDH2 and CRM. It is concluded that a point mutation in the human ALDH2 locus produced the glutamine leads to lysine substitution and enzyme inactivation. Images PMID:6582480

  17. Deformation mechanisms of Cu nanowires with planar defects

    SciTech Connect

    Tian, Xia Yang, Haixia; Wan, Rui; Cui, Junzhi; Yu, Xingang

    2015-01-21

    Molecular dynamics simulations are used to investigate the mechanical behavior of Cu nanowires (NWs) with planar defects such as grain boundaries (GBs), twin boundaries (TBs), stacking faults (SFs), etc. To investigate how the planar defects affect the deformation and fracture mechanisms of naowires, three types of nanowires are considered in this paper: (1) polycrystalline Cu nanowire; (2) single-crystalline Cu nanowire with twin boundaries; and (3) single-crystalline Cu nanowire with stacking faults. Because of the large fraction of atoms at grain boundaries, the energy of grain boundaries is higher than that of the grains. Thus, grain boundaries are proved to be the preferred sites for dislocations to nucleate. Moreover, necking and fracture prefer to occur at the grain boundary interface owing to the weakness of grain boundaries. For Cu nanowires in the presence of twin boundaries, it is found that twin boundaries can strength nanowires due to the restriction of the movement of dislocations. The pile up of dislocations on twin boundaries makes them rough, inducing high energy in twin boundaries. Hence, twin boundaries can emit dislocations, and necking initiates at twin boundaries. In the case of Cu nanowires with stacking faults, all pre-existing stacking faults in the nanowires are observed to disappear during deformation, giving rise to a fracture process resembling the samples without stacking fault.

  18. Electrochemical fabrication of 2D and 3D nickel nanowires using porous anodic alumina templates

    NASA Astrophysics Data System (ADS)

    Mebed, A. M.; Abd-Elnaiem, Alaa M.; Al-Hosiny, Najm M.

    2016-06-01

    Mechanically stable nickel (Ni) nanowires array and nanowires network were synthesized by pulse electrochemical deposition using 2D and 3D porous anodic alumina (PAA) templates. The structures and morphologies of as-prepared films were characterized by X-ray diffraction and scanning electron microscopy, respectively. The grown Ni nanowire using 3D PAA revealed more strength and larger surface area than has grown Ni use 2D PAA template. The prepared nanowires have a face-centered cubic crystal structure with average grain size 15 nm, and the preferred orientation of the nucleation of the nanowires is (111). The diameter of the nanowires is about 50-70 nm with length 3 µm. The resulting 3D Ni nanowire lattice, which provides enhanced mechanical stability and an increased surface area, benefits energy storage and many other applications which utilize the large surface area.

  19. Attachment-driven morphology evolvement of rectangular ZnO nanowires.

    PubMed

    Zhang, Dong-Feng; Sun, Ling-Dong; Yin, Jia-Lu; Yan, Chun-Hua; Wang, Rong-Ming

    2005-05-12

    The rectangular cross-sectional ZnO nanowires were synthesized in a solution method. An attachment-driven growth mechanism was proposed for the morphology evolvement of ZnO nanocrystals from nanoparticles to nanoplates and eventually to nanowires. Due to the pileup attachment of the nanoplates to recrystallize into nanowires, unique one-dimensional (1D) ZnO nanowires with the rectangular cross section were obtained, which is different from those nanowires in the previous reports. It is the first time the evidence that "oriented attachment" can occur not only for nanoparticles but also for nanoplates was obtained, suggesting that "oriented attachment" is an intrinsic behavior for nanosized materials. According to the growth model proposed based on the direct TEM observations, ZnO nanocrystals can be easily controlled as nanoparticles, nanoplates, or nanowires by tuning the synthetic parameters. PMID:16852043

  20. Can diamond nanowires grow inside carbon nano-tubes?

    NASA Astrophysics Data System (ADS)

    Zhu, Zhen; Tománek, David; Feng, Yanquan

    2013-03-01

    We investigate the possibility of templated growth of diamond nanowires from functionalized diamondoid molecules enclosed in a carbon nanotube (CNT). Our ab initio density functional theory studies identify suitable candidate molecules and conditions, under which such molecules may fuse to narrow diamond nanowires with C8H8 or C7H8 unit cells inside a CNT. We find that the unique environment inside a narrow carbon nanotube, which can be suitably represented by a cylindrical potential, subjects enclosed molecules to a high pressure, caused by ``capillary'' forces, and orients them in a suitable way favoring fusion and constraining the resulting structure. Based on total energy calculations, we find that fusion of C10H16 adamantane molecules requires additional energy, whereas fusion of C14H18(COOH)2 diamantane di-acid molecules in hydrogen atmosphere occurs as an exothermic reaction. Our canonical molecular dynamics calculations at elevated temperatures indicate likely intermediate products occurring during this reaction. Supported by the National Science Foundation Cooperative Agreement #EEC-0832785, titled ``NSEC: Center for High-rate Nanomanufacturing''.

  1. Electron transporting organic materials with an exceptional large scale homeotropic molecular orientation.

    PubMed

    Zhao, Huan; He, Zhiqun; Xu, Min; Liang, Chunjun; Kumar, Sandeep

    2016-03-28

    An electron transporting anthraquinone derivative demonstrated a stable large-scale homeotropic alignment on an open substrate surface, which substantially improved its charge carrier mobility. The electron mobility (μ(E)) increased by two orders of magnitude from 3.2 × 10(-4) cm(2) V(-1) s(-1) for the film without alignment to 1.2 × 10(-2) cm(2) V(-1) s(-1) for the homeotropically aligned film. A distinct enhancement in the UV absorption spectra of the films around the short wavelength range was observed to be associated with the molecular alignments. These alignments are less sensitive to the substrate under test. The anchoring force of the columnar stacks appears to be related to the nature of the material associated with the strong interaction between the molecules and substrate interface. PMID:26949167

  2. PAL: an object-oriented programming library for molecular evolution and phylogenetics.

    PubMed

    Drummond, A; Strimmer, K

    2001-07-01

    Phylogenetic Analysis Library (PAL) is a collection of Java classes for use in molecular evolution and phylogenetics. PAL provides a modular environment for the rapid construction of both special-purpose and general analysis programs. PAL version 1.1 consists of 145 public classes or interfaces in 13 packages, including classes for models of character evolution, maximum-likelihood estimation, and the coalescent, with a total of more than 27000 lines of code. The PAL project is set up as a collaborative project to facilitate contributions from other researchers. AVAILIABILTY: The program is free and is available at http://www.pal-project.org. It requires Java 1.1 or later. PAL is licensed under the GNU General Public License. PMID:11448888

  3. On the nature of long range electronic coupling in a medium: Distance and orientational dependence for chromophores in molecular aggregates

    SciTech Connect

    Lock, Maximilian P. E.; Andrews, David L.; Jones, Garth A.

    2014-01-28

    The electronic coupling that mediates energy transfer in molecular aggregates is theoretically investigated using the principles of quantum electrodynamics (QED). In this context, both the electromagnetic tensor and rate equation relating to these couplings are re-examined with a focus on the role of the relative distance and orientation of transition dipole moment pairs, considering near-, intermediate-, and far-zone contributions to the coupling. The QED based coupling terms are investigated both analytically and numerically, and they are physically interpreted in terms of the character of the mediating (virtual) photons. The spatial dependence of the couplings for a two-dimensional molecular aggregate of ordered and isotropic transition dipole moments is numerically calculated. Further, Pauli Master Equations are employed for a one-dimensional chain of molecules and donor-acceptor pairs, to investigate the importance of intermediate- and far-zone contributions to the electronic coupling on electronic energy transfer dynamics. The results indicate that although Förster theory is often qualitatively and quantitatively correct for describing electronic energy transfer (EET) processes, intermediate- and far-zone coupling terms could sometimes be non-negligible for correctly describing EET in natural and artificial, mesoscopic, solar energy harvesting systems. In particular, the results indicate that these terms are non-negligible when using Förster resonance energy transfer spectroscopic ruler techniques for distances >10 nm.

  4. On the nature of long range electronic coupling in a medium: distance and orientational dependence for chromophores in molecular aggregates.

    PubMed

    Lock, Maximilian P E; Andrews, David L; Jones, Garth A

    2014-01-28

    The electronic coupling that mediates energy transfer in molecular aggregates is theoretically investigated using the principles of quantum electrodynamics (QED). In this context, both the electromagnetic tensor and rate equation relating to these couplings are re-examined with a focus on the role of the relative distance and orientation of transition dipole moment pairs, considering near-, intermediate-, and far-zone contributions to the coupling. The QED based coupling terms are investigated both analytically and numerically, and they are physically interpreted in terms of the character of the mediating (virtual) photons. The spatial dependence of the couplings for a two-dimensional molecular aggregate of ordered and isotropic transition dipole moments is numerically calculated. Further, Pauli Master Equations are employed for a one-dimensional chain of molecules and donor-acceptor pairs, to investigate the importance of intermediate- and far-zone contributions to the electronic coupling on electronic energy transfer dynamics. The results indicate that although Förster theory is often qualitatively and quantitatively correct for describing electronic energy transfer (EET) processes, intermediate- and far-zone coupling terms could sometimes be non-negligible for correctly describing EET in natural and artificial, mesoscopic, solar energy harvesting systems. In particular, the results indicate that these terms are non-negligible when using Förster resonance energy transfer spectroscopic ruler techniques for distances >10 nm. PMID:25669501

  5. Silicon Nanowire Devices

    NASA Astrophysics Data System (ADS)

    Kamins, Theodore

    2006-03-01

    Metal-catalyzed, self-assembled, one-dimensional semiconductor nanowires are being considered as possible device elements to augment and supplant conventional electronics and to extend the use of CMOS beyond the physical and economic limits of conventional technology. Such nanowires can create nanostructures without the complexity and cost of extremely fine scale lithography. The well-known and controllable properties of silicon make silicon nanowires especially attractive. Easy integration with conventional electronics will aid their acceptance and incorporation. For example, connections can be formed to both ends of a nanowire by growing it laterally from a vertical surface formed by etching the top silicon layer of a silicon-on-insulator structure into isolated electrodes. Field-effect structures are one class of devices that can be readily built in silicon nanowires. Because the ratio of surface to volume in a thin nanowire is high, conduction through the nanowire is very sensitive to surface conditions, making it effective as the channel of a field-effect transistor or as the transducing element of a gas or chemical sensor. As the nanowire diameter decreases, a greater fraction of the mobile charge can be modulated by a given external charge, increasing the sensitivity. Having the gate of a nanowire transistor completely surround the nanowire also enhances the sensitivity. For a field-effect sensor to be effective, the charge must be physically close to the nanowire so that the majority of the compensating charge is induced in the nanowire and so that ions in solution do not screen the charge. Because only induced charge is being sensed, a coating that selectively binds the target species should be added to the nanowire surface to distinguish between different species in the analyte. The nanowire work at Hewlett-Packard Laboratories was supported in part by the Defense Advanced Research Projects Agency.

  6. Surface superconductivity in thin cylindrical Bi nanowire.

    PubMed

    Tian, Mingliang; Wang, Jian; Ning, Wei; Mallouk, Thomas E; Chan, Moses H W

    2015-03-11

    The physical origin and the nature of superconductivity in nanostructured Bi remains puzzling. Here, we report transport measurements of individual cylindrical single-crystal Bi nanowires, 20 and 32 nm in diameter. In contrast to nonsuperconducting Bi nanoribbons with two flat surfaces, cylindrical Bi nanowires show superconductivity below 1.3 K. However, their superconducting critical magnetic fields decrease with their diameter, which is the opposite of the expected behavior for thin superconducting wires. Quasiperiodic oscillations of magnetoresistance were observed in perpendicular fields but were not seen in the parallel orientation. These results can be understood by a model of surface superconductivity with an enhanced surface-to-bulk volume in small diameter wires, where the superconductivity originates from the strained surface states of the nanowires due to the surface curvature-induced stress. PMID:25658139

  7. Solution-Liquid-Solid Synthesis of Hexagonal Nickel Selenide Nanowire Arrays with a Nonmetal Catalyst.

    PubMed

    Xu, Kun; Ding, Hui; Jia, Kaicheng; Lu, Xiuli; Chen, Pengzuo; Zhou, Tianpei; Cheng, Han; Liu, Si; Wu, Changzheng; Xie, Yi

    2016-01-26

    Inorganic nanowire arrays hold great promise for next-generation energy storage and conversion devices. Understanding the growth mechanism of nanowire arrays is of considerable interest for expanding the range of applications. Herein, we report the solution-liquid-solid (SLS) synthesis of hexagonal nickel selenide nanowires by using a nonmetal molecular crystal (selenium) as catalyst, which successfully brings SLS into the realm of conventional low-temperature solution synthesis. As a proof-of-concept application, the NiSe nanowire array was used as a catalyst for electrochemical water oxidation. This approach offers a new possibility to design arrays of inorganic nanowires. PMID:26695560

  8. Suspended InAs nanowire Josephson junctions assembled via dielectrophoresis.

    PubMed

    Montemurro, D; Stornaiuolo, D; Massarotti, D; Ercolani, D; Sorba, L; Beltram, F; Tafuri, F; Roddaro, S

    2015-09-25

    We present a novel technique for the realization of suspended Josephson junctions based on InAs semiconductor nanowires. The devices are assembled using a technique of drop-casting guided by dielectrophoresis, which allows one to finely align the nanostructures on top of the electrodes. The proposed architecture removes the interaction between the nanowire and the substrate which is known to influence disorder and the orientation of the Rashba vector. The relevance of this approach in view of the implementation of hybrid Josephson junctions based on semiconducting nanowires coupled with high-temperature superconductors is discussed. PMID:26335273

  9. Suspended InAs nanowire Josephson junctions assembled via dielectrophoresis

    NASA Astrophysics Data System (ADS)

    Montemurro, D.; Stornaiuolo, D.; Massarotti, D.; Ercolani, D.; Sorba, L.; Beltram, F.; Tafuri, F.; Roddaro, S.

    2015-09-01

    We present a novel technique for the realization of suspended Josephson junctions based on InAs semiconductor nanowires. The devices are assembled using a technique of drop-casting guided by dielectrophoresis, which allows one to finely align the nanostructures on top of the electrodes. The proposed architecture removes the interaction between the nanowire and the substrate which is known to influence disorder and the orientation of the Rashba vector. The relevance of this approach in view of the implementation of hybrid Josephson junctions based on semiconducting nanowires coupled with high-temperature superconductors is discussed.

  10. Tuning hole-injection barriers at organic/metal interfaces exploiting the orientation of a molecular acceptor interlayer

    NASA Astrophysics Data System (ADS)

    Niederhausen, J.; Amsalem, P.; Frisch, J.; Wilke, A.; Vollmer, A.; Rieger, R.; Müllen, K.; Rabe, J. P.; Koch, N.

    2011-10-01

    Ultraviolet photoelectron spectroscopy was used to demonstrate organic/metal-contact charge injection barrier tuning by exploiting the orientation-dependent work function ϕ of a molecular acceptor [hexaazatriphenylene-hexanitrile (HATCN)] interlayer on Ag(111). The work function ϕ of a flat-lying HATCN monolayer on Ag was 4.6 eV (similar to a pristine Ag electrode), whereas a layer of edge-on HATCN on Ag exhibited ϕ of 5.5 eV (comparable to a pristine Au electrode). The hole-injection barriers (HIBs) between HATCN-modified electrodes and the organic semiconductors tris(8-hydroxyquinoline)aluminum (Alq3) and N,N'-bis(1-naphtyhl)-N,N'-diphenyl-1,1'-biphenyl-4.4'-diamine (α-NPD) were reduced by more than 1 eV compared to pristine Ag and Au electrodes. Noteworthy, the HIBs determined with the flat-lying HATCN interlayer were lower than those obtained for pristine Ag substrates (ϕ of both electrodes is 4.6 eV), and the HIBs with the edge-on HATCN on Ag were lower than those found for pristine Au (ϕ of both electrodes ca. 5.4 eV). This shows that acceptor interlayers are beneficial for charge injection in electronic devices even when the molecularly modified electrode ϕ is comparable to that of a pristine metal surface. It is argued that the molecularly modified electrodes are electronically more rigid than their pristine metal counterparts, i.e., the electron spill-out at the organic-terminated surface is less pronounced compared to Ag and Au surfaces.

  11. Resonant photo-thermal modification of vertical gallium arsenide nanowires studied using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Walia, Jaspreet; Boulanger, Jonathan; Dhindsa, Navneet; LaPierre, Ray; (Shirley Tang, Xiaowu; Saini, Simarjeet S.

    2016-06-01

    Gallium arsenide nanowires have shown considerable promise for use in applications in which the absorption of light is required. When the nanowires are oriented vertically, a considerable amount of light can be absorbed, leading to significant heating effects. Thus, it is important to understand the threshold power densities that vertical GaAs nanowires can support, and how the nanowire morphology is altered under these conditions. Here, resonant photo-thermal modification of vertical GaAs nanowires was studied using both Raman spectroscopy and electron microscopy techniques. Resonant waveguiding, and subsequent absorption of the excited optical mode reduces the irradiance vertical GaAs nanowires can support relative to horizontal ones, by three orders of magnitude before the onset of structural changes occur. A power density of only 20 W mm‑2 was sufficient to induce local heating in the nanowires, resulting in the formation of arsenic species. Upon further increasing the power, a hollow nanowire morphology was realized. These findings are pertinent to all optical applications and spectroscopic measurements involving vertically oriented GaAs nanowires. Understanding the optical absorption limitations, and the effects of exceeding these limitations will help improve the development of all III–V nanowire devices.

  12. Artificially modified magnetic anisotropy in interconnected nanowire networks

    NASA Astrophysics Data System (ADS)

    Araujo, Elsie; Encinas, Armando; Velázquez-Galván, Yenni; Martínez-Huerta, Juan Manuel; Hamoir, Gaël; Ferain, Etienne; Piraux, Luc

    2015-01-01

    Interconnected or crossed magnetic nanowire networks have been fabricated by electrodeposition into a polycarbonate template with crossed cylindrical nanopores oriented +/-30° with respect to the surface normal. Tailor-made nanoporous polymer membranes have been designed by performing a double energetic heavy ion irradiation with fixed incidence angles. The Ni and Ni/NiFe nanowire networks have been characterized by magnetometry as well as ferromagnetic resonance and compared with parallel nanowire arrays of the same diameter and density. The most interesting feature of these nanostructured materials is a significant reduction of the magnetic anisotropy when the external field is applied perpendicular and parallel to the plane of the sample. This effect is attributed to the relative orientation of the nanowire axes with the applied field. Moreover, the microwave transmission spectra of these nanowire networks display an asymmetric linewidth broadening, which may be interesting for the development of low-pass filters. Nanoporous templates made of well-defined nanochannel network constitute an interesting approach to fabricate materials with controlled anisotropy and microwave absorption properties that can be easily modified by adjusting the relative orientation of the nanochannels, pore sizes and material composition along the length of the nanowire.

  13. NANOWIRE CATHODE MATERIAL FOR LITHIUM-ION BATTERIES

    SciTech Connect

    John Olson, PhD

    2004-07-21

    This project involved the synthesis of nanowire ã-MnO2 and characterization as cathode material for high-power lithium-ion batteries for EV and HEV applications. The nanowire synthesis involved the edge site decoration nanowire synthesis developed by Dr. Reginald Penner at UC Irvine (a key collaborator in this project). Figure 1 is an SEM image showing ã-MnO2 nanowires electrodeposited on highly oriented pyrolytic graphite (HOPG) electrodes. This technique is unique to other nanowire template synthesis techniques in that it produces long (>500 um) nanowires which could reduce or eliminate the need for conductive additives due to intertwining of fibers. Nanowire cathode for lithium-ion batteries with surface areas 100 times greater than conventional materials can enable higher power batteries for electric vehicles (EVs) and hybrid electric vehicles (HEVs). The synthesis of the ã-MnO2 nanowires was successfully achieved. However, it was not found possible to co-intercalate lithium directly in the nanowire synthesis. Based on input from proposal reviewers, the scope of the project was altered to attempt the conversion into spinel LiMn2O4 nanowire cathode material by solid state reaction of the ã-MnO2 nanowires with LiNO3 at elevated temperatures. Attempts to perform the conversion on the graphite template were unsuccessful due to degradation of the graphite apparently caused by oxidative attack by LiNO3. Emphasis then shifted to quantitative removal of the nanowires from the graphite, followed by the solid state reaction. Attempts to quantitatively remove the nanowires by several techniques were unsatisfactory due to co-removal of excess graphite or poor harvesting of nanowires. Intercalation of lithium into ã-MnO2 electrodeposited onto graphite was demonstrated, showing a partial demonstration of the ã-MnO2 material as a lithium-ion battery cathode material. Assuming the issues of nanowires removal can be solved, the technique does offer potential for creating

  14. Highly aligned arrays of high aspect ratio barium titanate nanowires via hydrothermal synthesis

    SciTech Connect

    Bowland, Christopher C.; Zhou, Zhi; Malakooti, Mohammad H.; Sodano, Henry A.

    2015-06-01

    We report on the development of a hydrothermal synthesis procedure that results in the growth of highly aligned arrays of high aspect ratio barium titanate nanowires. Using a multiple step, scalable hydrothermal reaction, a textured titanium dioxide film is deposited on titanium foil upon which highly aligned nanowires are grown via homoepitaxy and converted to barium titanate. Scanning electron microscope images clearly illustrate the effect the textured film has on the degree of orientation of the nanowires. The alignment of nanowires is quantified by calculating the Herman's Orientation Factor, which reveals a 58% improvement in orientation as compared to growth in the absence of the textured film. The ferroelectric properties of barium titanate combined with the development of this scalable growth procedure provide a powerful route towards increasing the efficiency and performance of nanowire-based devices in future real-world applications such as sensing and power harvesting.

  15. Diffraction at GaAs/Fe3Si core/shell nanowires: The formation of nanofacets

    NASA Astrophysics Data System (ADS)

    Jenichen, B.; Hanke, M.; Hilse, M.; Herfort, J.; Trampert, A.; Erwin, S. C.

    2016-05-01

    GaAs/Fe3Si core/shell nanowire structures were fabricated by molecular-beam epitaxy on oxidized Si(111) substrates and investigated by synchrotron x-ray diffraction. The surfaces of the Fe3Si shells exhibit nanofacets. These facets consist of well pronounced Fe3Si{111} planes. Density functional theory reveals that the Si-terminated Fe3Si{111} surface has the lowest energy in agreement with the experimental findings. We can analyze the x-ray diffuse scattering and diffraction of the ensemble of nanowires avoiding the signal of the substrate and poly-crystalline films located between the wires. Fe3Si nanofacets cause streaks in the x-ray reciprocal space map rotated by an azimuthal angle of 30° compared with those of bare GaAs nanowires. In the corresponding TEM micrograph the facets are revealed only if the incident electron beam is oriented along [1 1 ¯ 0] in accordance with the x-ray results. Additional maxima in the x-ray scans indicate the onset of chemical reactions between Fe3Si shells and GaAs cores occurring at increased growth temperatures.

  16. ZnO Nanoparticles and Nanowire Arrays with Liquid Crystals for Photovoltaic Apprications

    NASA Astrophysics Data System (ADS)

    Salamanca-Riba, Lourdes; Weadock, Nicholas; Martinez-Miranda, Luz

    2011-03-01

    Liquid crystals are small monodisperse molecules with high mobilities and are easy and cheap to process. In addition, some of their phases exhibit molecular orientation that can provide a path for the electrons, or holes, to move from one electrode to the other. We have mixed a smectic A liquid crystal (8CB) with varying concentrations of ZnO nanoparticles of ~ 5 nm in diameter and have observed a photovoltaic effect as a function of the concentration of ZnO. The liquid crystal is believed to enhance the alignment of the nanoparticles and aid in the diffusion of electrons through the particles to the collection electrode. We have also made PV cells of ZnO nanowire arrays grown on Au layers on Si substrates. The nanowire arrays are covered with 8CB liquid crystal for hole conduction. We compare the light absorption of the PV cells as a function of wavelength of the light for the ZnO nanoparticle and the ZnO nanowire cells. We present a detailed study of the structure of the two systems. Supported by the National Science Foundation under the University of Maryland MRSEC DMR 0520471.

  17. Quantum electrodynamics of resonance energy transfer in nanowire systems

    NASA Astrophysics Data System (ADS)

    Weeraddana, Dilusha; Premaratne, Malin; Andrews, David L.

    2016-02-01

    Nonradiative resonance energy transfer (RET) provides the ability to transfer excitation energy between contiguous nanowires (NWs) with high efficiency under certain conditions. Nevertheless, the well-established Förster formalism commonly used to represent RET was developed for energy transfer primarily between molecular blocks (i.e., from one molecule, or part of a molecule, to another). Although deviations from Förster theory for functional blocks such as NWs have been studied previously, the role of the relative distance, the orientation of transition dipole moment pairs, and the passively interacting matter on electronic energy transfer are to a large extent unknown. Thus, a comprehensive theory that models RET in NWs is required. In this context, analytical insights to give a deeper and more intuitive understanding of the distance and orientation dependence of RET in NWs is presented within the framework of quantum electrodynamics. Additionally, the influence of an included intermediary on the rate of excitation energy transfer is illustrated, embracing indirect energy transfer rate and quantum interference. The results deliver equations that afford new intuitions into the behavior of virtual photons. In particular, results indicate that RET efficiency in a NW system can be explicitly expedited or inhibited by a neighboring mediator, depending on the relative spacing and orientation of NWs.

  18. Epitaxy of GaN Nanowires on Graphene.

    PubMed

    Kumaresan, Vishnuvarthan; Largeau, Ludovic; Madouri, Ali; Glas, Frank; Zhang, Hezhi; Oehler, Fabrice; Cavanna, Antonella; Babichev, Andrey; Travers, Laurent; Gogneau, Noelle; Tchernycheva, Maria; Harmand, Jean-Christophe

    2016-08-10

    Epitaxial growth of GaN nanowires on graphene is demonstrated using molecular beam epitaxy without any catalyst or intermediate layer. Growth is highly selective with respect to silica on which the graphene flakes, grown by chemical vapor deposition, are transferred. The nanowires grow vertically along their c-axis and we observe a unique epitaxial relationship with the ⟨21̅1̅0⟩ directions of the wurtzite GaN lattice parallel to the directions of the carbon zigzag chains. Remarkably, the nanowire density and height decrease with increasing number of graphene layers underneath. We attribute this effect to strain and we propose a model for the nanowire density variation. The GaN nanowires are defect-free and they present good optical properties. This demonstrates that graphene layers transferred on amorphous carrier substrates is a promising alternative to bulk crystalline substrates for the epitaxial growth of high quality GaN nanostructures. PMID:27414518

  19. Single phase, single orientation Cu2O (1 0 0) and (1 1 0) thin films grown by plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Tolstova, Yulia; Wilson, Samantha S.; Atwater, Harry A.

    2015-01-01

    Epitaxial growth of cuprous oxide (Cu2O) has been achieved on (1 0 0) and (1 1 0) orientations of MgO by plasma-assisted molecular beam epitaxy. Growth was investigated using a pure oxygen plasma as well as a 90%Ar/10%O2 plasma. Cu2O films grown using pure oxygen on MgO (1 0 0) have a limited growth window and typically exhibit multiple phases and orientations. Films grown on MgO (1 1 0) using pure oxygen are phase stable and predominantly (1 1 0) oriented, with some (2 0 0) orientation present. Films grown using an Ar/O2 plasma on MgO (1 0 0) have improved phase stability and a single (1 1 0) orientation. Growth on MgO (1 1 0) using an Ar/O2 plasma yields highly reproducible (1 1 0) oriented single phase Cu2O films with a much wider growth window, suggesting that this substrate orientation is preferable for Cu2O phase stability.

  20. Multicolored Vertical Silicon Nanowires

    SciTech Connect

    Seo, Kwanyong; Wober, Munib; Steinvurzel, P.; Schonbrun, E.; Dan, Yaping; Ellenbogen, T.; Crozier, K. B.

    2011-04-13

    We demonstrate that vertical silicon nanowires take on a surprising variety of colors covering the entire visible spectrum, in marked contrast to the gray color of bulk silicon. This effect is readily observable by bright-field microscopy, or even to the naked eye. The reflection spectra of the nanowires each show a dip whose position depends on the nanowire radii. We compare the experimental data to the results of finite difference time domain simulations to elucidate the physical mechanisms behind the phenomena we observe. The nanowires are fabricated as arrays, but the vivid colors arise not from scattering or diffractive effects of the array, but from the guided mode properties of the individual nanowires. Each nanowire can thus define its own color, allowing for complex spatial patterning. We anticipate that the color filter effect we demonstrate could be employed in nanoscale image sensor devices.

  1. From nanodiamond to nanowires.

    SciTech Connect

    Barnard, A.; Materials Science Division

    2005-01-01

    Recent advances in the fabrication and characterization of semiconductor and metallic nanowires are proving very successful in meeting the high expectations of nanotechnologists. Although the nanoscience surrounding sp{sup 3} bonded carbon nanotubes has continued to flourish over recent years the successful synthesis of the sp{sup 3} analogue, diamond nanowires, has been limited. This prompts questions as to whether diamond nanowires are fundamentally unstable. By applying knowledge obtained from examining the structural transformations in nanodiamond, a framework for analyzing the structure and stability of diamond nanowires may be established. One possible framework will be discussed here, supported by results of ab initio density functional theory calculations used to study the structural relaxation of nanodiamond and diamond nanowires. The results show that the structural stability and electronic properties of diamond nanowires are dependent on the surface morphology, crystallographic direction of the principal axis, and the degree of surface hydrogenation.

  2. Improved electron transport properties of n-type naphthalenediimide polymers through refined molecular ordering and orientation induced by processing solvents.

    PubMed

    An, Yujin; Long, Dang Xuan; Kim, Yiho; Noh, Yong-Young; Yang, Changduk

    2016-05-14

    To determine the role played by the choice of processing solvents in governing the photophysics, microstructure, and charge carrier transport in naphthalenediimide (NDI)-based polymers, we have prepared two new NDI-bithiophene (T2)- and NDI-thienothiophene (TTh)-containing polymers with hybrid siloxane pentyl chains (SiC5) (P(NDI2SiC5-T2) and P(NDI2SiC5-TTh)). Among the various processing solvents studied here, the films prepared using chloroform exhibited far better electron mobilities (0.16 ± 0.1-0.21 ± 0.05 cm(2) V(-1) s(-1)) than the corresponding samples prepared from different solvents, exceeding one order of magnitude higher, indicating the significant influence of the processing solvent on the charge transport. Upon thin-film analysis using atomic force microscopy and grazing incidence X-ray diffraction, we discovered that molecular ordering and orientation are affected by the choice of the processing solvent, which is responsible for the change in the transport characteristics of this class of polymers. PMID:27087486

  3. Determination of surface complex nonlinear optical susceptibilities and molecular orientational distribution functions using resonant surface second-harmonic generation

    NASA Astrophysics Data System (ADS)

    Park, Byoungchoo; Yoo, Jeong-Geun; Sakai, Takahiro; Hoshi, Hajime; Ishikawa, Ken; Takezoe, Hideo

    1998-10-01

    Using the resonant optical surface second-harmonic generation (SHG), we have determined the relative values of the complex nonlinear optical (NLO) components (χzzz, χzxx, and χxxz) at isotropic interfaces (C∞v) of a polymer with SHG active side chains. The introduced configuration of the SHG experiment was a polarizer-rotating quarter wave plate-sample-analyzer. It was shown that this configuration gives information on complex NLO coefficients without using the Kleinmann symmetry. For the experiments, we measured resonant surface SHG from the air-polymer and the substrate-polymer interfaces of a thick polymer film. By theoretically fitting the SHG data, we unambiguously determined the nonlinear susceptibility components at the both interfaces of the polymer film. Moreover, unbiased molecular orientational distribution functions (ODFs) at both interfaces were also determined using the modified maximum entropy method. The obtained ODFs were found to be quite different from the previous ones obtained by assuming the Kleinmann symmetry, indicating the important role of the imaginary part of χ's played when determining ODFs.

  4. Orientation and morphology of chloroaluminum phthalocyanine films grown by vapor deposition: Electrical field-induced molecular alignment

    NASA Astrophysics Data System (ADS)

    Basova, Tamara V.; Kiselev, Vitaly G.; Plyashkevich, Vladimir A.; Cheblakov, Pavel B.; Latteyer, Florian; Peisert, Heiko; Chassè, Thomas

    2011-02-01

    The electric field influence on the molecular orientation and the surface morphology of the chloroaluminum(III) phthalocyanine (AlClPc) films has been studied using polarization dependent Raman spectroscopy and atomic force microscopy. The experimental studies were supported by DFT quantum chemical computations of the AlClPc vibrational spectra and 15N isotopic shifts. The electric field of 1.4 kV mm -1 applied parallel to the substrate plane during the physical vapour deposition modified the film structure noticeable. The AlClPc molecules were aligned nearly perpendicular to the substrate surface (the mean tilt angle increased to ˜80° from ˜20° in the films grown without the electric field). The AFM images of the AlClPc films grown in the absence of electric field revealed a predominant amount of crystallites of polyhedron shape, whereas in the case of the applied electric field the surface was more ordered and consisted of the crystallites of a smoother shape.

  5. Mechanisms of oriented attachment of TiO2 nanocrystals in vacuum and humid environments: reactive molecular dynamics.

    PubMed

    Raju, Muralikrishna; van Duin, Adri C T; Fichthorn, Kristen A

    2014-01-01

    Oriented attachment (OA) of nanocrystals is now widely recognized as a key process in the solution-phase growth of hierarchical nanostructures. However, the microscopic origins of OA remain unclear. We perform molecular dynamics simulations using a recently developed ReaxFF reactive force field to study the aggregation of various titanium dioxide (anatase) nanocrystals in vacuum and humid environments. In vacuum, the nanocrystals merge along their direction of approach, resulting in a polycrystalline material. By contrast, in the presence of water vapor the nanocrystals reorient themselves and aggregate via the OA mechanism to form a single or twinned crystal. They accomplish this by creating a dynamic network of hydrogen bonds between surface hydroxyls and surface oxygens of aggregating nanocrystals. We determine that OA is dominant on surfaces that have the greatest propensity to dissociate water. Our results are consistent with experiment, are likely to be general for aqueous oxide systems, and demonstrate the critical role of solvent in nanocrystal aggregation. This work opens up new possibilities for directing nanocrystal growth to fabricate nanomaterials with desired shapes and sizes. PMID:24601782

  6. Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study

    PubMed Central

    Marracino, Paolo; Liberti, Micaela; Trapani, Erika; Burnham, Christian J.; Avena, Massimiliano; Garate, José-Antonio; Apollonio, Francesca; English, Niall J.

    2016-01-01

    Human aquaporin 4 has been studied using molecular dynamics (MD) simulations in the absence and presence of pulses of external static electric fields. The pulses were 10 ns in duration and 0.012–0.065 V/Å in intensity acting along both directions perpendicular to the pores. Water permeability and the dipolar response of all residues of interest (including the selectivity filter) within the pores have been studied. Results showed decreased levels of water osmotic permeability within aquaporin channels during orthogonally-oriented field impulses, although care must be taken with regard to statistical certainty. This can be explained observing enhanced “dipolar flipping” of certain key residues, especially serine 211, histidine 201, arginine 216, histidine 95 and cysteine 178. These residues are placed at the extracellular end of the pore (serine 211, histidine 201, and arginine 216) and at the cytoplasm end (histidine 95 and cysteine 178), with the key role in gating mechanism, hence influencing water permeability. PMID:27428954

  7. Estimation of interaction between oriented immobilized green fluorescent protein and its antibody by high performance affinity chromatography and molecular docking.

    PubMed

    Li, Qian; Wang, Jing; Yang, Lingjian; Gao, Xiaokang; Chen, Hongwei; Zhao, Xinfeng; Bian, Liujiao; Zheng, Xiaohui

    2015-07-01

    Although green fluorescence protein (GFP) and its antibody are widely used to track a protein or a cell in life sciences, the binding behavior between them remains unclear. In this work, diazo coupling method that synthesized a new stationary GFP was oriented immobilized on the surface of macro-porous silica gel by a phase. The stationary phase was utilized to confirm the validation of injection amount-dependent analysis in exploring protein-protein interaction that use GFP antibody as a probe. GFP antibody was proved to have one type of binding site on immobilized GFP. The number of binding site and association constant were calculated to be (6.41 ± 0.76) × 10(-10) M and (1.39 ± 0.12) × 10(9) M(-1). Further analysis by molecular docking showed that the binding of GFP to its antibody is mainly driven by hydrogen bonds and salt bridges. These results indicated that injection amount-dependent analysis is capable of exploring the protein-protein interactions with the advantages of ligand and time saving. It is a valuable methodology for the ligands, which are expensive or difficult to obtain. PMID:25727342

  8. Liquid-Vapor Interfacial Properties of Aqueous Solutions of Guanidinium and Methyl Guanidinium Chloride: Influence of Molecular Orientation on Interface Fluctuations

    PubMed Central

    Ou, Shuching; Cui, Di; Patel, Sandeep

    2014-01-01

    The guanidinium cation (C(NH2)3+) is a highly stable cation in aqueous solution due to its efficient solvation by water molecules and resonance stabilization of the charge. Its salts increase the solubility of nonpolar molecules (”salting-in”) and decrease the ordering of water. It is one of the strongest denaturants used in biophysical studies of protein folding. We investigate the behavior of guanidinium and its derivative, methyl guanidinium (an amino acid analogue) at the air-water surface, using atomistic molecular dynamics (MD) simulations and calculation of potentials of mean force. Methyl guanidinium cation is less excluded from the air-water surface than guanidinium cation, but both cations show orientational dependence of surface affinity. Parallel orientations of the guanidinium ring (relative to the Gibbs dividing surface) show pronounced free energy minima in the interfacial region, while ring orientations perpendicular to the GDS exhibit no discernible surface stability. Calculations of surface fluctuations demonstrate that near the air-water surface, the parallel-oriented cations generate significantly greater interfacial fluctuations compared to other orientations, which induces more long-ranged perturbations and solvent density redistribution. Our results suggest a strong correlation with induced interfacial fluctuations and ion surface stability. These results have implications for interpreting molecular-level, mechanistic action of this osmolyte’s interaction with hydrophobic interfaces as they impact protein denaturation (solubilization). PMID:23937431

  9. Molecular orientation and the infrared dichroism of a chiral smectic liquid crystal in a homogeneously aligned cell at different temperature and bias fields.

    PubMed

    Sigarev, A A; Vij, J K; Lewis, R A; Hird, M; Goodby, J W

    2003-09-01

    The molecular orientation and the dichroic behavior of the vibrational bands of a homogeneously aligned helical cell containing chiral smectic liquid crystal (R)-(-)-1-methylheptyl 4-(4(')-dodecyloxybiphenyl-4-ylcarbonyloxy)-3-fluorobenzoate are studied at various temperatures as a function of the bias field. These temperatures correspond to the various phase states of the sample at zero field. For those bands that exhibit significant dichroism, the field dependencies of the dichroic parameters (the dichroic ratio and the polarization angle of maximum absorbance) are found to be dependent on temperature, phase state, and helical unwinding. For the SmA* and SmC(*)(alpha) phases, the phenyl band dichroic ratio and the corresponding orientational order parameter are found to be almost independent of the bias field. The temperature dependence of the orientational order for zero field is discussed by taking into account the structures of the phases and the molecular tilt angles. The field dependencies of the phenyl band dichroic parameters for the SmC(*)(A) and SmC(*)(gamma) phases yield results about the distribution of directors in the layers of their unit cells and the state of helical unwinding. The azimuthal orientational distribution function of the carbonyl transition moments with respect to the long molecular axis has been determined. It is found that the degrees of the polar and quadrupolar biasing increase with decrease in temperature and the azimuthal biasing angle for the chiral carbonyl group increases significantly with a reduction in temperature. PMID:14524788

  10. Networks of silicon nanowires: A large-scale atomistic electronic structure analysis

    NASA Astrophysics Data System (ADS)

    Keleş, Ümit; Liedke, Bartosz; Heinig, Karl-Heinz; Bulutay, Ceyhun

    2013-11-01

    Networks of silicon nanowires possess intriguing electronic properties surpassing the predictions based on quantum confinement of individual nanowires. Employing large-scale atomistic pseudopotential computations, as yet unexplored branched nanostructures are investigated in the subsystem level as well as in full assembly. The end product is a simple but versatile expression for the bandgap and band edge alignments of multiply-crossing Si nanowires for various diameters, number of crossings, and wire orientations. Further progress along this line can potentially topple the bottom-up approach for Si nanowire networks to a top-down design by starting with functionality and leading to an enabling structure.

  11. Networks of silicon nanowires: A large-scale atomistic electronic structure analysis

    SciTech Connect

    Keleş, Ümit; Bulutay, Ceyhun; Liedke, Bartosz; Heinig, Karl-Heinz

    2013-11-11

    Networks of silicon nanowires possess intriguing electronic properties surpassing the predictions based on quantum confinement of individual nanowires. Employing large-scale atomistic pseudopotential computations, as yet unexplored branched nanostructures are investigated in the subsystem level as well as in full assembly. The end product is a simple but versatile expression for the bandgap and band edge alignments of multiply-crossing Si nanowires for various diameters, number of crossings, and wire orientations. Further progress along this line can potentially topple the bottom-up approach for Si nanowire networks to a top-down design by starting with functionality and leading to an enabling structure.

  12. Second-harmonic generation imaging of semiconductor nanowires with focused vector beams.

    PubMed

    Bautista, Godofredo; Mäkitalo, Jouni; Chen, Ya; Dhaka, Veer; Grasso, Marco; Karvonen, Lasse; Jiang, Hua; Huttunen, Mikko J; Huhtio, Teppo; Lipsanen, Harri; Kauranen, Martti

    2015-03-11

    We use second-harmonic generation (SHG) with focused vector beams to investigate individual vertically aligned GaAs nanowires. Our results provide direct evidence that SHG from oriented nanowires is mainly driven by the longitudinal field along the nanowire growth axis. Consequently, focused radial polarization provides a superior tool to characterize such nanowires compared to linear polarization, also allowing this possibility in the native growth environment. We model our experiments by describing the SHG process for zinc-blende structure and dipolar bulk nonlinearity. PMID:25651302

  13. Infrared study on the molecular orientation in bulk-heterojunction films based on perylene and 3,4,9,10-perylenetetracarboxylic dianhydride

    NASA Astrophysics Data System (ADS)

    Seto, Keisuke; Pham, John; Furukawa, Yukio

    2012-03-01

    Solid-state structures of thin blend films of perylene and 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA) formed on the Au surface have been studied by a combination of infrared reflection-absorption spectroscopy and the RATIO method of Debe. In the blend films, PTCDA molecules take the face-on orientation in the whole range of PTCDA contents from 7.5 to 88 mol%. On the other hand, the molecular orientation of perylene molecules changes from edge-on toward random as the PTCDA content increases.

  14. Chemical segregation in metallic glass nanowires

    SciTech Connect

    Zhang, Qi; Li, Mo; Li, Qi-Kai

    2014-11-21

    Nanowires made of metallic glass have been actively pursued recently due to the superb and unique properties over those of the crystalline materials. The amorphous nanowires are synthesized either at high temperature or via mechanical disruption using focused ion beam. These processes have potential to cause significant changes in structure and chemical concentration, as well as formation of defect or imperfection, but little is known to date about the possibilities and mechanisms. Here, we report chemical segregation to surfaces and its mechanisms in metallic glass nanowires made of binary Cu and Zr elements from molecular dynamics simulation. Strong concentration deviation are found in the nanowires under the conditions similar to these in experiment via focused ion beam processing, hot imprinting, and casting by rapid cooling from liquid state. Our analysis indicates that non-uniform internal stress distribution is a major cause for the chemical segregation, especially at low temperatures. Extension is discussed for this observation to multicomponent metallic glass nanowires as well as the potential applications and side effects of the composition modulation. The finding also points to the possibility of the mechanical-chemical process that may occur in different settings such as fracture, cavitation, and foams where strong internal stress is present in small length scales.

  15. Superconducting qubits with semiconductor nanowire Josephson junctions

    NASA Astrophysics Data System (ADS)

    Petersson, K. D.; Larsen, T. W.; Kuemmeth, F.; Jespersen, T. S.; Krogstrup, P.; Nygård, J.; Marcus, C. M.

    2015-03-01

    Superconducting transmon qubits are a promising basis for a scalable quantum information processor. The recent development of semiconducting InAs nanowires with in situ molecular beam epitaxy-grown Al contacts presents new possibilities for building hybrid superconductor/semiconductor devices using precise bottom up fabrication techniques. Here, we take advantage of these high quality materials to develop superconducting qubits with superconductor-normal-superconductor Josephson junctions (JJs) where the normal element is an InAs semiconductor nanowire. We have fabricated transmon qubits in which the conventional Al-Al2O3-Al JJs are replaced by a single gate-tunable nanowire JJ. Using spectroscopy to probe the qubit we observe fluctuations in its level splitting with gate voltage that are consistent with universal conductance fluctuations in the nanowire's normal state conductance. Our gate-tunable nanowire transmons may enable new means of control for large scale qubit architectures and hybrid topological quantum computing schemes. Research supported by Microsoft Station Q, Danish National Research Foundation, Villum Foundation, Lundbeck Foundation and the European Commission.

  16. Germanium nanowire growth controlled by surface diffusion effects

    SciTech Connect

    Schmidtbauer, Jan; Bansen, Roman; Heimburger, Robert; Teubner, Thomas; Boeck, Torsten; Fornari, Roberto

    2012-07-23

    Germanium nanowires (NWs) were grown onto Ge(111) substrates by the vapor-liquid-solid process using gold droplets. The growth was carried out in a molecular beam epitaxy chamber at substrate temperatures between 370 Degree-Sign C and 510 Degree-Sign C. The resulting nanowire growth rate turns out to be highly dependent on the substrate temperature exhibiting the maximum at T = 430 Degree-Sign C. The temperature dependence of growth rate can be attributed to surface diffusion both along the substrate and nanowire sidewalls. Analyzing the diffusive material transport yields a diffusion length of 126 nm at a substrate temperature of 430 Degree-Sign C.

  17. Metallic nanowire networks

    DOEpatents

    Song, Yujiang; Shelnutt, John A.

    2012-11-06

    A metallic nanowire network synthesized using chemical reduction of a metal ion source by a reducing agent in the presence of a soft template comprising a tubular inverse micellar network. The network of interconnected polycrystalline nanowires has a very high surface-area/volume ratio, which makes it highly suitable for use in catalytic applications.

  18. Nanowires for energy generation.

    PubMed

    Hiralal, Pritesh; Unalan, Husnu Emrah; Amaratunga, Gehan A J

    2012-05-17

    As a result of their morphology, nanowires bring new properties and the promise of performance for a range of electronic devices. This review looks into the properties of nanowires and the multiple ways in which they have been exploited for energy generation, from photovoltaics to piezoelectric generators. PMID:22538769

  19. Nanowire Photovoltaic Devices

    NASA Technical Reports Server (NTRS)

    Forbes, David

    2015-01-01

    Firefly Technologies, in collaboration with the Rochester Institute of Technology and the University of Wisconsin-Madison, developed synthesis methods for highly strained nanowires. Two synthesis routes resulted in successful nanowire epitaxy: direct nucleation and growth on the substrate and a novel selective-epitaxy route based on nanolithography using diblock copolymers. The indium-arsenide (InAs) nanowires are implemented in situ within the epitaxy environment-a significant innovation relative to conventional semiconductor nanowire generation using ex situ gold nanoparticles. The introduction of these nanoscale features may enable an intermediate band solar cell while simultaneously increasing the effective absorption volume that can otherwise limit short-circuit current generated by thin quantized layers. The use of nanowires for photovoltaics decouples the absorption process from the current extraction process by virtue of the high aspect ratio. While no functional solar cells resulted from this effort, considerable fundamental understanding of the nanowire epitaxy kinetics and nanopatterning process was developed. This approach could, in principle, be an enabling technology for heterointegration of dissimilar materials. The technology also is applicable to virtual substrates. Incorporating nanowires onto a recrystallized germanium/metal foil substrate would potentially solve the problem of grain boundary shunting of generated carriers by restricting the cross-sectional area of the nanowire (tens of nanometers in diameter) to sizes smaller than the recrystallized grains (0.5 to 1 micron(exp 2).

  20. Electroluminescence from silicon nanowires

    NASA Astrophysics Data System (ADS)

    Huo, J.; Solanki, R.; Freeouf, J. L.; Carruthers, J. R.

    2004-12-01

    Room temperature electroluminescence has been demonstrated from undoped silicon nanowires that were grown from disilane. Ensembles of nanowires were excited by capacitively coupling them to an ac electric field. The emission peak occurred at about 600 nm from wires of average diameter of about 4 nm. The emission appears to result from band-to-band electron-hole recombination.

  1. Novel heterostructured Ge nanowires based on polytype transformation.

    PubMed

    Vincent, Laetitia; Patriarche, Gilles; Hallais, Géraldine; Renard, Charles; Gardès, Cyrille; Troadec, David; Bouchier, Daniel

    2014-08-13

    We report on a strain-induced phase transformation in Ge nanowires under external shear stresses. The resulted polytype heterostructure may have great potential for photonics and thermoelectric applications. ⟨111⟩-oriented Ge nanowires with standard diamond structure (3C) undergo a phase transformation toward the hexagonal diamond phase referred as the 2H-allotrope. The phase transformation occurs heterogeneously on shear bands along the length of the nanowire. The structure meets the common phenomenological criteria of a martensitic phase transformation. This point is discussed to initiate an on going debate on the transformation mechanisms. The process results in unprecedented quasiperiodic heterostructures 3C/2H along the Ge nanowire. The thermal stability of those 2H domains is also studied under annealing up to 650 °C by in situ TEM. PMID:24988041

  2. Sub-diffraction Laser Synthesis of Silicon Nanowires

    PubMed Central

    Mitchell, James I.; Zhou, Nan; Nam, Woongsik; Traverso, Luis M.; Xu, Xianfan

    2014-01-01

    We demonstrate synthesis of silicon nanowires of tens of nanometers via laser induced chemical vapor deposition. These nanowires with diameters as small as 60 nm are produced by the interference between incident laser radiation and surface scattered radiation within a diffraction limited spot, which causes spatially confined, periodic heating needed for high resolution chemical vapor deposition. By controlling the intensity and polarization direction of the incident radiation, multiple parallel nanowires can be simultaneously synthesized. The nanowires are produced on a dielectric substrate with controlled diameter, length, orientation, and the possibility of in-situ doping, and therefore are ready for device fabrication. Our method offers rapid one-step fabrication of nano-materials and devices unobtainable with previous CVD methods. PMID:24469704

  3. Temperature Accelerated Molecular Dynamics with Soft-Ratcheting Criterion Orients Enhanced Sampling by Low-Resolution Information.

    PubMed

    Cortes-Ciriano, Isidro; Bouvier, Guillaume; Nilges, Michael; Maragliano, Luca; Malliavin, Thérèse E

    2015-07-14

    Many proteins exhibit an equilibrium between multiple conformations, some of them being characterized only by low-resolution information. Visiting all conformations is a demanding task for computational techniques performing enhanced but unfocused exploration of collective variable (CV) space. Otherwise, pulling a structure toward a target condition biases the exploration in a way difficult to assess. To address this problem, we introduce here the soft-ratcheting temperature-accelerated molecular dynamics (sr-TAMD), where the exploration of CV space by TAMD is coupled to a soft-ratcheting algorithm that filters the evolving CV values according to a predefined criterion. Any low resolution or even qualitative information can be used to orient the exploration. We validate this technique by exploring the conformational space of the inactive state of the catalytic domain of the adenyl cyclase AC from Bordetella pertussis. The domain AC gets activated by association with calmodulin (CaM), and the available crystal structure shows that in the complex the protein has an elongated shape. High-resolution data are not available for the inactive, CaM-free protein state, but hydrodynamic measurements have shown that the inactive AC displays a more globular conformation. Here, using as CVs several geometric centers, we use sr-TAMD to enhance CV space sampling while filtering for CV values that correspond to centers moving close to each other, and we thus rapidly visit regions of conformational space that correspond to globular structures. The set of conformations sampled using sr-TAMD provides the most extensive description of the inactive state of AC up to now, consistent with available experimental information. PMID:26575778

  4. Dispersion and shear-induced orientation of anisotropic nanoparticle filled polymer nanocomposites: insights from molecular dynamics simulation.

    PubMed

    Zheng, Zijian; Wang, Zixuan; Wang, Lu; Liu, Jun; Wu, Youping; Zhang, Liqun

    2016-07-01

    Although a large number of studies have been performed to study the dispersion behavior of spherical nanoparticles (NPs) in the polymer matrix, little effort has been directed to anisotropic NPs via simulation, which is convenient for controlling the physical parameters compared to experiment. In this work we adopt molecular dynamics simulation to study polymer nanocomposites filled with anisotropic NPs such as graphene and carbon nanotubes (CNTs). We investigate the effects of the grafting position, grafting density, the length and flexibility of the grafted chains on the dispersion of graphene and CNTs. In particular, we find that when the grafting position is located on the surface center of the graphene or the middle of the CNT, the dispersion state is the best, leading to the greatest stress-strain behavior. Meanwhile, the mechanical property can be further strengthened by introducing chemical couplings in the interfacial region, by chemically tethering the grafted chains to the matrix chains. To monitor the processing effect, we exert a dynamic periodic shear deformation in the x direction with its gradient in the y direction. Polymer chains are found to align in the x direction, graphene sheets align in the xoz plane and CNTs orientate in the z direction. We study the effects of the shear amplitude, the shear frequency, polymer-NP interaction strength and volume fraction of NPs on the stress-strain behavior. We also observe that the relaxation process following the shear deformation deteriorates the mechanical performance, resulting from the disorientation of polymer chains and NPs. In general, this work could provide valuable guidance in manipulating the distribution and alignment of graphene and CNTs in the polymer matrix. PMID:27196704

  5. Dispersion and shear-induced orientation of anisotropic nanoparticle filled polymer nanocomposites: insights from molecular dynamics simulation

    NASA Astrophysics Data System (ADS)

    Zheng, Zijian; Wang, Zixuan; Wang, Lu; Liu, Jun; Wu, Youping; Zhang, Liqun

    2016-07-01

    Although a large number of studies have been performed to study the dispersion behavior of spherical nanoparticles (NPs) in the polymer matrix, little effort has been directed to anisotropic NPs via simulation, which is convenient for controlling the physical parameters compared to experiment. In this work we adopt molecular dynamics simulation to study polymer nanocomposites filled with anisotropic NPs such as graphene and carbon nanotubes (CNTs). We investigate the effects of the grafting position, grafting density, the length and flexibility of the grafted chains on the dispersion of graphene and CNTs. In particular, we find that when the grafting position is located on the surface center of the graphene or the middle of the CNT, the dispersion state is the best, leading to the greatest stress–strain behavior. Meanwhile, the mechanical property can be further strengthened by introducing chemical couplings in the interfacial region, by chemically tethering the grafted chains to the matrix chains. To monitor the processing effect, we exert a dynamic periodic shear deformation in the x direction with its gradient in the y direction. Polymer chains are found to align in the x direction, graphene sheets align in the xoz plane and CNTs orientate in the z direction. We study the effects of the shear amplitude, the shear frequency, polymer–NP interaction strength and volume fraction of NPs on the stress–strain behavior. We also observe that the relaxation process following the shear deformation deteriorates the mechanical performance, resulting from the disorientation of polymer chains and NPs. In general, this work could provide valuable guidance in manipulating the distribution and alignment of graphene and CNTs in the polymer matrix.

  6. Molecular cloning, characterization, and expression analysis of p53 from the oriental river prawn, Macrobrachium nipponense, in response to hypoxia.

    PubMed

    Sun, Shengming; Gu, Zhimin; Fu, Hongtuo; Zhu, Jian; Ge, Xianping; Xuan, Fujun

    2016-07-01

    The tumor suppressor gene p53 plays a critical role in safeguarding the integrity of the genome in mammalian cells. It acts as a sequence-specific transcription factor. Once p53 is activated by a variety of cellular stresses, it transactivates downstream target genes and regulates the cell cycle and apoptosis. However, little is known about the functions of the p53 pathway in prawns in response to hypoxia. In this study, the cDNA of p53 from the oriental river prawn, Macrobrachium nipponense, (Mnp53) was cloned using a combination of homology cloning and rapid amplification of cDNA ends. The full-length cDNA of Mnp53 has 2130 bp, including an open reading frame of 1125 bp that encodes a polypeptide of 374 amino acids with a predicted molecular weight of 41.9 kDa and a theoretical isoelectric point of 6.9. Quantitative real-time (qRT)-PCR assays revealed that Mnp53 was ubiquitously expressed in all examined tissues, but at high levels in the hepatopancreas. In addition, we studied respiratory bursts and reactive oxygen species (ROS) production in the hepatopancreas of M. nipponense. Our results suggest that oxidative stress occurred in prawns in response to hypoxia and that apoptosis was associated with an increase in caspase-3 mRNA expression. qRT-PCR and western blot results confirmed that hypoxic stress induced the upregulation of Mnp53 at mRNA and protein levels. Furthermore, immunohistochemistry showed remarkable changes in immunopositive staining after the same hypoxic treatment. These results suggest that hypoxia-induced oxidative stress may cause apoptosis and cooperatively stimulate the expression of Mnp53. PMID:27044329

  7. Development of self-assembling nanowires containing electronically active oligothiophenes

    NASA Astrophysics Data System (ADS)

    Tsai, Wei-Wen

    This dissertation discusses the development of conductive one-dimensional nanowires from self-assembling oligothiophene molecules. Self-assembly has been demonstrated to be a promising alternative approach towards high performance, solution processable, and low-cost organic electronics. One of the many challenges in this field is the control of supramolecular morphologies of ordered structures containing pi-conjugated moieties. This research demonstrated several successful strategies to achieve self assembly of conductive nanowires using synergistic interactions combining pi stacking and hydrogen bonding. The first approach used was to develop a hairpin-shaped sexithiophene molecule, which features two arms of the conjugated structure. The diamidocyclohexyl headgroup of this molecule successfully directs the self-assembly from hydrogen bonding among the amides, forming high-aspect-ratio one-dimensional nanowires with well-defined diameters of 3.0 +/- 0.3 nm. The molecular orientation in the nanostructures promotes formation of sexithiophene H and J aggregates that facilitate efficient charge transport. Organic field-effect transistors were fabricated to reveal improved intrinsic hole mobility from films of the nanostructures, 3.46 x 10-6 cm2V-1s-1, which is one order of magnitude higher than films cast from unassembled molecules. Bulk heterojunction solar cells were developed from this molecule and fullerenes utilizing solution-phase fabrication methods. Intimate mix of the molecule and phenyl-C61-butyric acid methyl ester creates structured interfaces for efficient exciton splitting. The charge carrier mobilities of each material are improved by self-assembly in solution and thermal-energy assisted phase separation.The photovoltaic devices achieved the highest open-circuit voltage of 0.62 V, short-circuit current of 1.79 mA/cm2, fill factor of 35%, and power conversion efficiency of 0.48%. Another strategy to one-dimensional nanowires studied here involved the

  8. 2D and 3D ordered arrays of Co magnetic nanowires

    NASA Astrophysics Data System (ADS)

    Garcia, J.; Prida, V. M.; Vega, V.; Rosa, W. O.; Caballero-Flores, R.; Iglesias, L.; Hernando, B.

    2015-06-01

    Cobalt nanowire arrays spatially distributed in 2D and 3D arrangements have been performed by pulsed electrodeposition into the pores of planar and cylindrical nanoporous anodic alumina membranes, respectively. Morphological characterization points out the good filling factor reached by electroplated Co nanowires in both kinds of alumina membranes exhibiting hexagonally self-ordered porous structures. Co nanowires grown in both kinds of alumina templates exhibit the same crystalline phases. DC magnetometry and First Order Reversal Curve (FORC) analysis were carried out in order to determine the overall magnetic behavior for both nanowire array geometries. It is found that when the Co nanowires of two kinds of arrays are perpendicularly magnetized, both hysteresis loops are identical, suggesting that neither the intrinsic magnetic behavior of the nanowires nor the collective one depend on the arrays geometry. FORC analysis performed along the radial direction of the Co nanowire arrays embedded in the cylindrical alumina template reveals that the contribution of each nanowire to the magnetization reversal process involves its specific orientation with respect to the applied field direction. Furthermore, the comparison between the magnetic properties for both kinds of Co nanowire arrays allows discussing about the effect of the cylindrical geometry of the template on the magnetostatic interaction among nanowires.

  9. Effect of composition and annealing on electrodeposited CoxPt1-X nanowires

    NASA Astrophysics Data System (ADS)

    Khatri, Manvendra Singh; Agarwal, Shivani; Hsu, Jen-Hwa; Chien, Chia-Hua; Chen, Cheng-Lung; Chen, Yang-Yuan

    2016-05-01

    Highly ordered CoxPt1-x (x ≤ 0.82) magnetic nanowire arrays of 60 nm diameter have been fabricated successfully by electrodeposition process into the pores of anodic aluminum oxide (AAO) templates. Electrodeposition process has been used as it is one of the simplest and most inexpensive, easily controlled method for the synthesis of nanowires.It was found that deposition potential is a key factor to control the composition and thus the magnetic properties of the nanowires. The as-deposited CoxPt1-x nanowires were characterized by XRD to have fcc structure with preferred orientation of (111) or (001) along the nanowire. Co-rich nanowires exhibit ferromagnetic behavior in contrast to near superparamagnetic response of the Pt-rich nanowires. Upon annealing the effects of crystallization cause the decrease of anisotropy along the wire axis for Co82Pt18 nanowires due to the increase of magnetocrystalline anisotropy perpendicular to the wire axis. In the next phase of our work segmented CoPtP/Pt multilayers nanowires will be deposited within the AAO template. Such multilayers nanowires are expected to have the high anisotropy due to the formation of ordered Co-Pt alloy phase at the interface.

  10. Single nanowire photovoltaics.

    PubMed

    Tian, Bozhi; Kempa, Thomas J; Lieber, Charles M

    2009-01-01

    This tutorial review focuses on recent work addressing the properties and potential of semiconductor nanowires as building blocks for photovoltaic devices based on investigations at the single nanowire level. Two central nanowire motifs involving p-i-n dopant modulation in axial and coaxial geometries serve as platforms for fundamental studies. Research illustrating the synthesis of these structural motifs will be reviewed first, followed by an examination of recent studies of single axial and coaxial p-i-n silicon nanowire solar cells. Finally, challenges and opportunities for improving efficiency enabled by controlled synthesis of more complex nanowire structures will be discussed, as will their potential applications as power sources for emerging nanoelectronic devices. PMID:19088961

  11. Nanowire Solar Cells

    NASA Astrophysics Data System (ADS)

    Garnett, Erik C.; Brongersma, Mark L.; Cui, Yi; McGehee, Michael D.

    2011-08-01

    The nanowire geometry provides potential advantages over planar wafer-based or thin-film solar cells in every step of the photoconversion process. These advantages include reduced reflection, extreme light trapping, improved band gap tuning, facile strain relaxation, and increased defect tolerance. These benefits are not expected to increase the maximum efficiency above standard limits; instead, they reduce the quantity and quality of material necessary to approach those limits, allowing for substantial cost reductions. Additionally, nanowires provide opportunities to fabricate complex single-crystalline semiconductor devices directly on low-cost substrates and electrodes such as aluminum foil, stainless steel, and conductive glass, addressing another major cost in current photovoltaic technology. This review describes nanowire solar cell synthesis and fabrication, important characterization techniques unique to nanowire systems, and advantages of the nanowire geometry.

  12. Semiconductor nanowire lasers

    NASA Astrophysics Data System (ADS)

    Eaton, Samuel W.; Fu, Anthony; Wong, Andrew B.; Ning, Cun-Zheng; Yang, Peidong

    2016-06-01

    The discovery and continued development of the laser has revolutionized both science and industry. The advent of miniaturized, semiconductor lasers has made this technology an integral part of everyday life. Exciting research continues with a new focus on nanowire lasers because of their great potential in the field of optoelectronics. In this Review, we explore the latest advancements in the development of nanowire lasers and offer our perspective on future improvements and trends. We discuss fundamental material considerations and the latest, most effective materials for nanowire lasers. A discussion of novel cavity designs and amplification methods is followed by some of the latest work on surface plasmon polariton nanowire lasers. Finally, exciting new reports of electrically pumped nanowire lasers with the potential for integrated optoelectronic applications are described.

  13. Mechanical characterization of metallic nanowires by using a customized atomic microscope

    NASA Astrophysics Data System (ADS)

    Celik, Emrah

    investigated by analyzing the major sources of uncertainty in the experimental procedure. The effects of the nanowire orientation, the loading position and the nanowire diameter on the mechanical test results are quantified using ANSYS simulations. Among all of these three sources of uncertainty investigated, the nanowire diameter has been found to have the most significant effect on the extracted mechanical properties.

  14. Study of Ac Dielectrophoretic Process of SiC Nanowires: A Universal Method for Alignment of Semiconductor Nanowires.

    PubMed

    Yao, Limei; Cui, Yan; Cong, Haining; Zheng, Jinju; Shang, Minghui; Yang, Zuobao; Yang, Weiyou; Wei, Guodong; Gao, Fengmei

    2016-04-01

    In this study, the dielectrophoretic processes of SiC nanowires suspended in three typical solvents, (highly purified water, ethanol and isopropanol) were systematically investigated. Optical microscope and SEM characterizations were used to observe the order of SiC nanowires on the surface of gold microchannels. The gold microchannels were induced by Ac dielectrophoresis of the corresponding dispersion solutions of SiC nanowires, with a concentration of 0.1 mg/mL. The study shows that the dielectrophoresis process is an effective way of synthesizing highly oriented SiC nanoarrays using isopropanol solution. The results also show that the arrangement of SiC nanowires on the interdigital electrode configuration not only depend on the kind of solvent used, but also on the applied frequency (1000 Hz~1 MHz) and voltage (1 V~20 V). PMID:27451739

  15. Atomistic simulations of the yielding of gold nanowires.

    SciTech Connect

    Zimmerman, Jonathan A.; Dunn, Martin L.; Diao, Jiankuai; Gall, Ken

    2004-07-01

    We performed atomistic simulations to study the effect of free surfaces on the yielding of gold nanowires. Tensile surface stresses on the surfaces of the nanowires cause them to contract along the length with respect to the bulk face-centered cubic lattice and induce compressive stress in the interior. When the cross-sectional area of a (100) nanowire is less than 2.45 nm x 2.45 nm, the wire yields under its surface stresses. Under external forces and surface stresses, nanowires yield via the nucleation and propagation of the {l_brace}111{r_brace}<112> partial dislocations. The magnitudes of the tensile and compressive yield stress of (100) nanowires increase and decrease, respectively, with a decrease of the wire width. The magnitude of the tensile yield stress is much larger than that of the compressive yield stress for small (100) nanowires, while for small <111> nanowires, tensile and compressive yield stresses have similar magnitudes. The critical resolved shear stress (RSS) by external forces depends on wire width, orientation and loading condition (tension vs. compression). However, the critical RSS in the interior of the nanowires, which is exerted by both the external force and the surface-stress-induced compressive stress, does not change significantly with wire width for same orientation and same loading condition, and can thus serve as a 'local' criterion. This local criterion is invoked to explain the observed size dependence of yield behavior and tensile/compressive yield stress asymmetry, considering surface stress effects and different slip systems active in tensile and compressive yielding.

  16. Fabrication and nanoscale characterization of magnetic multilayer nanowires

    NASA Astrophysics Data System (ADS)

    Elawayeb, Mohamed

    Magnetic multilayers nanowires are scientifically fascinating and have potential industrial applications in many areas of advanced nanotechnology. These applications arise due to the nanoscale dimensions of nanostructures that lead to unique physical properties. Magnetic multilayer nanowires have been successfully produced by electrodeposition into templates. Anodic Aluminium Oxide (AAO) membranes were used as templates in this process; the templates were fabricated by anodization method in acidic solutions at a fixed voltage. The fabrication method of a range of magnetic multilayer nanowires is described in this study and their structure and dimensions were analyzed using scanning electron microscope (SEM), Transmission electron microscope (TEM) and scanning transmission electron microscopy (STEM). This study is focused on the first growth of NiFe/Pt and NiFe/Fe magnetic multilayer nanowires, which were successfully fabricated by pulse electrodeposition into the channels of porous anodic aluminium oxide (AAO) templates, and characterized at the nanoscale. Individual nanowires have uniform structure and regular periodicity. The magnetic and nonmagnetic layers are polycrystalline, with randomly oriented fcc lattice structure crystallites. Chemical compositions of the individual nanowires were analyzed using TEM equipped with energy-dispersive x-ray analysis (EDX) and electron energy loss spectrometry (EELS). The electrical and magnetoresistance properties of individual magnetic multilayer nanowires have been measured inside a SEM using two sharp tip electrodes attached to in situ nanomanipulators and a new electromagnet technique. The giant magnetoresistance (GMR) effect of individual magnetic multilayer nanowires was measured in the current - perpendicular to the plane (CPP) geometry using a new in situ method at variable magnetic field strength and different orientations..

  17. Nanowire dye-sensitized solar cells.

    PubMed

    Law, Matt; Greene, Lori E; Johnson, Justin C; Saykally, Richard; Yang, Peidong

    2005-06-01

    Excitonic solar cells-including organic, hybrid organic-inorganic and dye-sensitized cells (DSCs)-are promising devices for inexpensive, large-scale solar energy conversion. The DSC is currently the most efficient and stable excitonic photocell. Central to this device is a thick nanoparticle film that provides a large surface area for the adsorption of light-harvesting molecules. However, nanoparticle DSCs rely on trap-limited diffusion for electron transport, a slow mechanism that can limit device efficiency, especially at longer wavelengths. Here we introduce a version of the dye-sensitized cell in which the traditional nanoparticle film is replaced by a dense array of oriented, crystalline ZnO nanowires. The nanowire anode is synthesized by mild aqueous chemistry and features a surface area up to one-fifth as large as a nanoparticle cell. The direct electrical pathways provided by the nanowires ensure the rapid collection of carriers generated throughout the device, and a full Sun efficiency of 1.5% is demonstrated, limited primarily by the surface area of the nanowire array. PMID:15895100

  18. Magnetic and Structural characterization of Co nanowires using advanced electron microscopy techniques

    NASA Astrophysics Data System (ADS)

    Cantu-Valle, Jesus; Ruiz-Zepeda, Francisco; Sanchez, John Eder; Mendoza-Santoyo, Fernando; Ponnce, Arturo; UTSA Team

    2015-03-01

    We report the magnetic imaging and crystalline structure of high aspect ratio cobalt nanowires. Experimental results of magnetization reversal in cobalt nanowires are presented to illustrate the functionality of the in situ magnetization process through the manipulation of the objective lens. By making use of this applicability, we measure the magnetization and show experimental evidence of the magnetic flux distribution in polycrystalline cobalt nanowires using off-axis electron holography. The retrieved phase map can distinguishes the magnetic contribution from the crystalline contribution with high accuracy. To determine the size and orientation of the grains within the Co nanowires, PED-assisted orientation mapping was performed. Finally, the magnetic analysis performed at individual nanowires was correlated with the crystalline orientation map, obtained by PED-assisted crystal phase orientation mapping. The large shape anisotropy determines the mayor magnetization direction rather than the magneto-crystalline anisotropy in the studied nanowires. The combination of the two techniques allowed us to directly visualize the effects of the crystallographic texture on the magnetization of the nanowire. The authors would like to acknowledge Dr. B.J.H. Stadler for providing the samples and financial support from NSF PREM #DMR 0934218, CONACYT, #215762 and Department of Defense #64756-RT-REP.

  19. Synthesis of gold nanowires with controlled crystallographic characteristics

    NASA Astrophysics Data System (ADS)

    Karim, S.; Toimil-Molares, M. E.; Maurer, F.; Miehe, G.; Ensinger, W.; Liu, J.; Cornelius, T. W.; Neumann, R.

    2006-09-01

    The controlled fabrication of poly- and single-crystalline Au nanowires is reported. In polycarbonate templates, prepared by heavy-ion irradiation and subsequent etching, Au nanowires with diameters down to 25 nm are electrochemically synthesized. Four-circle X-ray diffraction and transmission electron microscopy measurements demonstrate that wires deposited potentiostatically at a voltage of -1.2 V at 65 °C are single-crystalline and oriented along the [110] direction. By reverse-pulse electrodeposition, wires oriented along the [100] direction are grown. The wires are cylindrical over their whole length. The morphology of the caps growing on top of poly- and single-crystalline wires is a strong indication of the particular crystalline structure of the nanowires.

  20. Promoting Cell Proliferation Using Water Dispersible Germanium Nanowires

    PubMed Central

    Bezuidenhout, Michael; Liu, Pai; Singh, Shalini; Kiely, Maeve

    2014-01-01

    Group IV Nanowires have strong potential for several biomedical applications. However, to date their use remains limited because many are synthesised using heavy metal seeds and functionalised using organic ligands to make the materials water dispersible. This can result in unpredicted toxic side effects for mammalian cells cultured on the wires. Here, we describe an approach to make seedless and ligand free Germanium nanowires water dispersible using glutamic acid, a natural occurring amino acid that alleviates the environmental and health hazards associated with traditional functionalisation materials. We analysed the treated material extensively using Transmission electron microscopy (TEM), High resolution-TEM, and scanning electron microscope (SEM). Using a series of state of the art biochemical and morphological assays, together with a series of complimentary and synergistic cellular and molecular approaches, we show that the water dispersible germanium nanowires are non-toxic and are biocompatible. We monitored the behaviour of the cells growing on the treated germanium nanowires using a real time impedance based platform (xCELLigence) which revealed that the treated germanium nanowires promote cell adhesion and cell proliferation which we believe is as a result of the presence of an etched surface giving rise to a collagen like structure and an oxide layer. Furthermore this study is the first to evaluate the associated effect of Germanium nanowires on mammalian cells. Our studies highlight the potential use of water dispersible Germanium Nanowires in biological platforms that encourage anchorage-dependent cell growth. PMID:25237816

  1. Atomistic modeling of bending properties of oxidized silicon nanowires

    SciTech Connect

    Ilinov, Andrey Kuronen, Antti

    2014-03-14

    In this work, we have modeled a three point bending test of monocrystalline Si nanowires using molecular dynamics simulations in order to investigate their elastic properties. Tested nanowires were about 30 nm in length and had diameters from 5 to 9 nm. To study the influence of a native oxide layer, nanowires were covered with a 1 nm thick silica layer. The bending force was applied by a carbon diamond half-sphere with a 5 nm diameter. The Si-O parametrization for the Tersoff potential was used to describe atomic interactions between Si and O atoms. In order to remove the indentation effect of the diamond half-sphere and to obtain a pure bending behavior, we have also performed a set of simulations with fixed bottoms of the nanowires. Our results show that the oxide layer reduces the nanowire stiffness when compared with a pure Si nanowire with the same number of silicon atoms—in spite of the fact that the oxidized nanowires had larger diameters.

  2. Semiconductor Nanowires: What's Next?

    SciTech Connect

    Yang, Peidong; Yan, Ruoxue; Fardy, Melissa

    2010-04-28

    In this perspective, we take a critical look at the research progress within the nanowire community for the past decade. We discuss issues on the discovery of fundamentally new phenomena versus performance benchmarking for many of the nanowire applications. We also notice that both the bottom-up and top-down approaches have played important roles in advancing our fundamental understanding of this new class of nanostructures. Finally we attempt to look into the future and offer our personal opinions on what the future trends will be in nanowire research.

  3. Programmability of nanowire networks

    NASA Astrophysics Data System (ADS)

    Bellew, A. T.; Bell, A. P.; McCarthy, E. K.; Fairfield, J. A.; Boland, J. J.

    2014-07-01

    Electrical connectivity in networks of nanoscale junctions must be better understood if nanowire devices are to be scaled up from single wires to functional material systems. We show that the natural connectivity behaviour found in random nanowire networks presents a new paradigm for creating multi-functional, programmable materials. In devices made from networks of Ni/NiO core-shell nanowires at different length scales, we discover the emergence of distinct behavioural regimes when networks are electrically stressed. We show that a small network, with few nanowire-nanowire junctions, acts as a unipolar resistive switch, demonstrating very high ON/OFF current ratios (>105). However, large networks of nanowires distribute an applied bias across a large number of junctions, and thus respond not by switching but instead by evolving connectivity. We demonstrate that these emergent properties lead to fault-tolerant materials whose resistance may be tuned, and which are capable of adaptively reconfiguring under stress. By combining these two behavioural regimes, we demonstrate that the same nanowire network may be programmed to act both as a metallic interconnect, and a resistive switch device with high ON/OFF ratio. These results enable the fabrication of programmable, multi-functional materials from random nanowire networks.Electrical connectivity in networks of nanoscale junctions must be better understood if nanowire devices are to be scaled up from single wires to functional material systems. We show that the natural connectivity behaviour found in random nanowire networks presents a new paradigm for creating multi-functional, programmable materials. In devices made from networks of Ni/NiO core-shell nanowires at different length scales, we discover the emergence of distinct behavioural regimes when networks are electrically stressed. We show that a small network, with few nanowire-nanowire junctions, acts as a unipolar resistive switch, demonstrating very high ON

  4. Topotaxial growth of α-Fe2O3 nanowires on iron substrate

    NASA Astrophysics Data System (ADS)

    Srivastava, Himanshu; Srivastava, A. K.; Babu, Mahendra; Rai, S. K.; Ganguli, Tapas

    2016-05-01

    α-Fe2O3 (hematite) nanowires have been grown by simple thermal oxidation of iron foil at 700°C in a moist oxygen flow. It was observed that the growth of nanowires highly depends on the texture of the iron substrate, in particular the presence of [110] oriented iron grains. Cross-sectional Transmission Electron Microscopy (TEM) investigation of as-grown sample revealed that the growth of nanowires has definite orientation relation with the underlying oxide grains Fe3O4 (magnetite) and FeO (wustite), which can be interpreted by the primary orientation relationships of topotaxial growth of iron oxides. The observation can pave the way for patterning of the nanowire growth by controlling the texture of original substrate. Samples were also characterized with Scanning Electron Microscope (SEM) and X-ray diffraction (XRD).

  5. Formation of ordered metal nanowire-inorganic salt composites

    NASA Astrophysics Data System (ADS)

    Novikov, V. P.; Stetsik, A. N.; Neden', S. R.

    2007-05-01

    A new phenomenon accompanying the electrolysis of salts has been observed, whereby an ordered composite is formed under certain conditions (electrolyte composition, current density). The composite comprises an inorganic salt crystal penetrated by metal nano- and microwires. This phenomenon can serve as a basis for the technology of oriented and ordered nanowire array synthesis.

  6. Orientational and translational correlations of liquid methane over the nanometer-picosecond scales by molecular dynamics simulation and inelastic neutron scattering.

    PubMed

    Sampoli, M; Guarini, E; Bafile, U; Barocchi, F

    2011-10-21

    Five models for the site-site intermolecular pair interactions of methane are compared in some detail and used to investigate both structural and dynamical properties of the dense liquid deuteromethane by means of molecular dynamics (MD) simulations. The orientational distribution probabilities of molecular pairs are carefully analyzed for each anisotropic potential model. We propose a revision of existing classification methods used to group the innumerable relative orientations of methane-methane pairs into six basic geometries. With this new approach, our results for the probability of the six basic categories as a function of the intermolecular distance are different from the ones present in the literature, where the role of the angular spread on the anisotropic interaction energy is not taken in full consideration and certain configurations with no significant change in the pair-potential are assigned to different categories. The analysis of the static orientational correlations in liquid methane and the prevalence of certain configurations in different ranges guide the subsequent discussion of the MD model-dependent results for the dynamic structure factor. Comparison with our inelastic neutron scattering results for liquid CD(4) at the nanometer and picosecond space and time scales allows us to confirm the full adequacy of the Tsuzuki, Uchimaru and Tanabe model of 1998 with respect to more recent potentials. PMID:22029325

  7. Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom

    NASA Astrophysics Data System (ADS)

    Vdovichenko, G. A.; Krivchikov, A. I.; Korolyuk, O. A.; Tamarit, J. Ll.; Pardo, L. C.; Rovira-Esteva, M.; Bermejo, F. J.; Hassaine, M.; Ramos, M. A.

    2015-08-01

    The thermal conductivity, specific heat, and specific volume of the orientational glass former 1,1,2-trichloro-1,2,2-trifluoroethane (CCl2F-CClF2, F-113) have been measured under equilibrium pressure within the low-temperature range, showing thermodynamic anomalies at ca. 120, 72, and 20 K. The results are discussed together with those pertaining to the structurally related 1,1,2,2-tetrachloro-1,2-difluoroethane (CCl2F-CCl2F, F-112), which also shows anomalies at 130, 90, and 60 K. The rich phase behavior of these compounds can be accounted for by the interplay between several of their degrees of freedom. The arrest of the degrees of freedom corresponding to the internal molecular rotation, responsible for the existence of two energetically distinct isomers, and the overall molecular orientation, source of the characteristic orientational disorder of plastic phases, can explain the anomalies at higher and intermediate temperatures, respectively. The soft-potential model has been used as the framework to describe the thermal properties at low temperatures. We show that the low-temperature anomaly of the compounds corresponds to a secondary relaxation, which can be associated with the appearance of Umklapp processes, i.e., anharmonic phonon-phonon scattering, that dominate thermal transport in that temperature range.

  8. Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom

    SciTech Connect

    Vdovichenko, G. A.; Krivchikov, A. I.; Korolyuk, O. A.; Tamarit, J. Ll. Pardo, L. C.; Rovira-Esteva, M.; Bermejo, F. J.; Hassaine, M.; Ramos, M. A.

    2015-08-28

    The thermal conductivity, specific heat, and specific volume of the orientational glass former 1,1,2-trichloro-1,2,2-trifluoroethane (CCl{sub 2}F–CClF{sub 2}, F-113) have been measured under equilibrium pressure within the low-temperature range, showing thermodynamic anomalies at ca. 120, 72, and 20 K. The results are discussed together with those pertaining to the structurally related 1,1,2,2-tetrachloro-1,2-difluoroethane (CCl{sub 2}F–CCl{sub 2}F, F-112), which also shows anomalies at 130, 90, and 60 K. The rich phase behavior of these compounds can be accounted for by the interplay between several of their degrees of freedom. The arrest of the degrees of freedom corresponding to the internal molecular rotation, responsible for the existence of two energetically distinct isomers, and the overall molecular orientation, source of the characteristic orientational disorder of plastic phases, can explain the anomalies at higher and intermediate temperatures, respectively. The soft-potential model has been used as the framework to describe the thermal properties at low temperatures. We show that the low-temperature anomaly of the compounds corresponds to a secondary relaxation, which can be associated with the appearance of Umklapp processes, i.e., anharmonic phonon-phonon scattering, that dominate thermal transport in that temperature range.

  9. Thermal properties of halogen-ethane glassy crystals: Effects of orientational disorder and the role of internal molecular degrees of freedom.

    PubMed

    Vdovichenko, G A; Krivchikov, A I; Korolyuk, O A; Tamarit, J Ll; Pardo, L C; Rovira-Esteva, M; Bermejo, F J; Hassaine, M; Ramos, M A

    2015-08-28

    The thermal conductivity, specific heat, and specific volume of the orientational glass former 1,1,2-trichloro-1,2,2-trifluoroethane (CCl2F-CClF2, F-113) have been measured under equilibrium pressure within the low-temperature range, showing thermodynamic anomalies at ca. 120, 72, and 20 K. The results are discussed together with those pertaining to the structurally related 1,1,2,2-tetrachloro-1,2-difluoroethane (CCl2F-CCl2F, F-112), which also shows anomalies at 130, 90, and 60 K. The rich phase behavior of these compounds can be accounted for by the interplay between several of their degrees of freedom. The arrest of the degrees of freedom corresponding to the internal molecular rotation, responsible for the existence of two energetically distinct isomers, and the overall molecular orientation, source of the characteristic orientational disorder of plastic phases, can explain the anomalies at higher and intermediate temperatures, respectively. The soft-potential model has been used as the framework to describe the thermal properties at low temperatures. We show that the low-temperature anomaly of the compounds corresponds to a secondary relaxation, which can be associated with the appearance of Umklapp processes, i.e., anharmonic phonon-phonon scattering, that dominate thermal transport in that temperature range. PMID:26328859

  10. Guided Growth of Horizontal ZnSe Nanowires and their Integration into High-Performance Blue-UV Photodetectors.

    PubMed

    Oksenberg, Eitan; Popovitz-Biro, Ronit; Rechav, Katya; Joselevich, Ernesto

    2015-07-15

    Perfectly aligned horizontal ZnSe nano-wires are obtained by guided growth, and easily integrated into high-performance blue-UV photodetectors. Their crystal phase and crystallographic orientation are controlled by the epitaxial relations with six different sapphire planes. Guided growth paves the way for the large-scale integration of nanowires into optoelectronic devices. PMID:26011601

  11. Cold welding of copper nanowires with single-crystalline and twinned structures: A comparison study

    NASA Astrophysics Data System (ADS)

    Huang, Rao; Shao, Gui-Fang; Wen, Yu-Hua

    2016-09-01

    In this article, molecular simulations were adopted to explore the cold welding processes of copper nanowires with both single-crystalline and fivefold twinned structures. It was verified that the twinned nanowires exhibited enhanced strength but lowered elastic limit and ductility. Both nanowires could be successfully welded through rather small loadings, although their stress-strain responses toward compression were different. Meanwhile, more stress was accumulated in the twinned nanowire due to repulsive force of the twin boundaries against the nucleation and motions of dislocations. Moreover, by characterizing the structure evolutions in the welding process, it can be ascertained that perfect atomic order was finally built at the weld region in both nanowires. This comparison study will be of great importance to future mechanical processing of metallic nanowires.

  12. Tunable mechanical and thermal properties of ZnS/CdS core/shell nanowires

    NASA Astrophysics Data System (ADS)

    Mandal, Taraknath; Dasgupta, Chandan; Maiti, Prabal K.

    2015-03-01

    Using all-atom molecular dynamics (MD) simulations, we have studied the mechanical properties of ZnS/CdS core/shell nanowires. Our results show that the coating of a few-atomic-layer CdS shell on the ZnS nanowire leads to a significant change in the stiffness of the core/shell nanowires compared to the stiffness of pure ZnS nanowires. The binding energy between the core and shell region decreases due to the lattice mismatch at the core-shell interface. This reduction in binding energy plays an important role in determining the stiffness of a core/shell nanowire. We have also investigated the effects of the shell on the thermal conductivity and melting behavior of the nanowires.

  13. Nanowire LEDs grown directly on flexible metal foil

    NASA Astrophysics Data System (ADS)

    May, Brelon J.; Sarwar, A. T. M. Golam; Myers, Roberto C.

    2016-04-01

    Using molecular beam epitaxy, self-assembled AlGaN nanowires are grown directly on Ta and Ti foils. Scanning electron microscopy shows that the nanowires are locally textured with the underlying metallic grains. Photoluminescence spectra of GaN nanowires grown on metal foils are comparable to GaN nanowires grown on single crystal Si wafers. Similarly, photoluminescence lifetimes do not vary significantly between these samples. Operational AlGaN light emitting diodes are grown directly on flexible Ta foil with an electroluminescence peak emission of ˜350 nm and a turn-on voltage of ˜5 V. These results pave the way for roll-to-roll manufacturing of solid state optoelectronics.

  14. Enhanced plasmonic properties of gold-catalysed semiconductor nanowires.

    PubMed

    Naumenko, Denys; Zannier, Valentina; Grillo, Vincenzo; Cassese, Damiano; Priante, Giacomo; dal Zilio, Simone; Rubini, Silvia; Lazzarino, Marco

    2014-11-21

    A key challenge for the development of plasmonic nanodevices is their integration into active semiconducting structures. Gold-catalysed semiconductor nanowires are promising candidates for their bottom-up growth process that aligns a single gold nanoparticle at each nanowire apex. Unfortunately these show extremely poor plasmonic properties. In this work, we propose a way to enhance their plasmonic resonance up to those of ideal and isolated gold nanoparticles. A suitable purification protocol compatible with GaAs and ZnSe molecular beam epitaxy of nanowires is used to produce plasmonic active nanowires, which were used to enhance the Raman signal of pentacene and graphene oxide. Enhancement factors up to three orders of magnitude are demonstrated. PMID:25274074

  15. Silicon carbide nanowires under external loads: An atomistic simulation study

    NASA Astrophysics Data System (ADS)

    Makeev, Maxim A.; Srivastava, Deepak; Menon, Madhu

    2006-10-01

    The nanomechanical response properties of 3C-SiC nanowires are investigated using molecular dynamics simulation with Tersoff bond-order interatomic potential. Under axial compression and tensile strain, the computed Young’s modulus and structural changes at elastic limit do not depend appreciably on the diameter of the nanowire except for the nanowire of the smallest diameter (≈1nm) under compression. The elastic modulus and structural failure near the elastic limit regime, for nonaxial bending and torsional strains, are found to depend strongly on the nanowire diameters through a power-law behavior. The exponent of the power-law behavior and mechanisms of the material failure under different types of loading strains are described in this work.

  16. Wall effects on the electrical manipulation of metal nanowires.

    PubMed

    Loucaides, Neophytos G; Ramos, Antonio

    2015-07-01

    The rotation induced by AC electric fields on metal nanowires has been studied theoretically and experimentally. In the experiments, the nanowires rotate close to the bottom of the device. The present work studies the effects of the wall on the electrorotation and electro-orientation of a metal nanowire numerically. The induced electrical rotation of a metal nanowire in solution is originated by both the electrical torque on the induced dipole and the induced charge EOF around the particle. The theoretical analysis presented here only considers the effects of the wall on the nanowire rotation originated by the torque on the induced dipole. Two methods are employed in the analysis in order to obtain the electrical and viscous torques acting on the nanowire: (i) the 3D electrical and hydrodynamic equations are simulated using the finite element method and (ii) hydrodynamic and electrical slender-body approximations are used to obtain, respectively, line distributions of Stokeslets and charge that take into account the proximity of a plane wall. The numerical results obtained from the two methods are totally in agreement. The main wall effects are that the electrical torque is reduced, the viscous torque is increased, and an electric repulsive force from the wall appears. PMID:25640250

  17. Highly ordered ultralong magnetic nanowires wrapped in stacked graphene layers

    PubMed Central

    El Mel, Abdel-Aziz; Duvail, Jean-Luc; Gautron, Eric; Xu, Wei; Choi, Chang-Hwan; Angleraud, Benoit; Granier, Agnès

    2012-01-01

    Summary We report on the synthesis and magnetic characterization of ultralong (1 cm) arrays of highly ordered coaxial nanowires with nickel cores and graphene stacking shells (also known as metal-filled carbon nanotubes). Carbon-containing nickel nanowires are first grown on a nanograted surface by magnetron sputtering. Then, a post-annealing treatment favors the metal-catalyzed crystallization of carbon into stacked graphene layers rolled around the nickel cores. The observed uniaxial magnetic anisotropy field oriented along the nanowire axis is an indication that the shape anisotropy dominates the dipolar coupling between the wires. We further show that the thermal treatment induces a decrease in the coercivity of the nanowire arrays. This reflects an enhancement of the quality of the nickel nanowires after annealing attributed to a decrease of the roughness of the nickel surface and to a reduction of the defect density. This new type of graphene–ferromagnetic-metal nanowire appears to be an interesting building block for spintronic applications. PMID:23365798

  18. Molecular Orientation Enhancement of Silk by the Hot-Stretching-Induced Transition from α-Helix-HFIP Complex to β-Sheet.

    PubMed

    Yoshioka, Taiyo; Tashiro, Kohji; Ohta, Noboru

    2016-04-11

    Enhancing the molecular orientation of the regenerated silk fibroin (RF) up to a level comparable to the native silk is highly challenging. Our novel and promising strategy for the poststretching process is (1) creating at first an α-helix-HFIP complex with a hexagonal packing as an intermediate state and then (2) stretching it at a high temperature to induce the helix-to-sheet structural phase transition. Here we show for the first time the significantly high stretching efficiency of the proposed technique compared with the conventional wet-stretching techniques and the successful achievement of higher crystalline orientation and higher Young's modulus compared even with the native silk. The detailed structural analysis based on the time-resolved simultaneous measurement of stress-strain curve, synchrotron X-ray scatterings, and FTIR has revealed the structural transition mechanism from the hexagonally packed α-helix-HFIP complex to the highly oriented β-sheet crystalline state as well as the critical level of crystal orientation needed for the helix-to-sheet transition. PMID:26974170

  19. Investigation of fluidic assembly of nanowires using a droplet inside microchannels

    NASA Astrophysics Data System (ADS)

    Salalha, Wael; Zussman, Eyal

    2005-06-01

    Nanowires are common building blocks for the bottom-up assembly of electronic and photonic devices. A significant challenge is to introduce a single nanowire into an oriented assembly in order to express its unique anisotropic properties or to fabricate a nanodevice. In this work we focused on the development of a micrometer length scale approach, based on a fluidic method for alignment and assembling of nanowires. The alignment is achieved by manipulating a droplet composed of a dilute nanowire suspension by creating thermocapillary motion inside a microchannel. Our purpose is to explore the nanowires' alignment mechanism in the middle region between the droplet's front and rear menisci, and their interaction with the free surface and the contact lines. Experimental results show that nanowires which are found in the middle region of the droplet are generally aligned with the flow direction. Nanowires which reach the front meniscus move together with the displacing fluid which undergoes a "rolling" type motion, and are finally adsorbed to the surface of the microchannel. The adsorbed nanowires were found in most cases to align with the droplet's flow direction. However, in certain cases nanowires may become reoriented by the passage of the rear-contact line.

  20. Atomic orientation following predissociation of the C {sup 3}{Pi}{sub g} Rydberg state of molecular oxygen

    SciTech Connect

    Gilchrist, A. J.; Ritchie, G. A. D.

    2013-06-07

    (2 + 1) resonance enhanced multiphoton ionization in combination with time-of-flight mass spectroscopy (TOF-MS) has been used to detect both the O({sup 3}P) and O({sup 1}D) fragments produced as a result of predissociation of the C {sup 3}{Pi}{sub g} (v= 0) and (v= 1) Rydberg states of O{sub 2}, accessed via two-photon absorption from the ground X {sup 3}{Sigma}{sub g}{sup -} state. In particular, TOF profiles have been recorded at various fixed two-photon absorption wavelengths within the two bands, with circular polarized probe laser light used to probe the angular momentum orientation of these photofragments. All photofragments are found to display coherent orientation resulting from interference between two possible two-photon absorption pathways. The measured orientation is affected by rotational depolarization due to the long lifetime of the excited C state; once this effect is accounted for the orientation is found to be nearly constant over all dissociation wavelengths. The origin of the coherent orientation is attributed to two-photon absorption to different spin-orbit components of the C state.

  1. Nonlinear optical anisotropy and molecular orientational distribution in poly(p-phenylene benzobisthiazole) Langmuir-Blodgett films

    NASA Astrophysics Data System (ADS)

    Wang, Liming; Wada, Tatsuo; Yuba, Tomoyuki; Kakimoto, Masaaki; Imai, Yoshio; Sasabe, Hiroyuki

    1996-06-01

    The orientational distribution and packing of polymer chains were investigated in poly(p-phenylene benzobisthiazole) (PBT) Langmuir-Blodgett (LB) films by nonresonant third-harmonic generation measurement at a wavelength of 1907 nm. The tensor components of the third-harmonic susceptibility on the PBT LB film with a surface pressure of 50 mN/m were determined to be χ(3)XXXX=(16.6±2.5)×10-12 and χ(3)YYYY=(2.0±0.3)×10-12. The large nonlinear optical anisotropy can be explained as a result of highly oriented packing of the polymer chains induced by a flow orientation. A Gaussian distribution function with a standard deviation of σ=0.40 gives a practical description of the orientational distribution of PBT polymer chains. A maximum χ(3) value of (26.8±4.4)×10-12 esu is predicted assuming a perfect alignment of polymer chains. The χ(3)XXXX value increased by factor of 2 with the surface pressure from 30 to 50 mN/m mainly due to the packing density of the polymer chains, while the orientational degree did not change.

  2. Ab initio simulations on rutile-based titania nanowires

    NASA Astrophysics Data System (ADS)

    Zhukovskii, Yu F.; Evarestov, R. A.

    2012-08-01

    The rod symmetry groups for monoperiodic (1D) nanostructures have been applied for construction of models for bulk-like TiO2 nanowires (NWs) cut from a rutile-based 3D crystal along the chosen [001] and [110] directions of crystallographic axes. In this study, we have considered nanowires described by both the Ti-atom centered rotation axes as well as the hollow site centered axes passing through the interstitial positions between the Ti and O atoms closest to the axes. The most stable [001]-oriented TiO2 NWs with rhombic cross sections are found to display the energetically preferable {110} facets only while the nanowires with quasi-square sections across the [110] axis are formed by the alternating { 1bar 10 } and {001} facets. For simulations on rutile-based nanowires possessing different diameters for each NW type, we have performed large-scale ab initio Density Functional Theory (DFT) and hybrid DFT-Hartree Fock (DFT-HF) calculations with total geometry optimization within the Generalized Gradient Approximation (GGA) in the form of the Perdew-Becke-Ernzenhof (PBE) exchange-correlation functionals (PBE and PBE0, respectively), using the formalism of linear combination of localized atomic functions (LCAO). We have simulated both structural and electronic properties of TiO2 NWs depending both on orientation and position of symmetry axes as well as on diameter and morphology of nanowires.

  3. A deep etching mechanism for trench-bridging silicon nanowires.

    PubMed

    Tasdemir, Zuhal; Wollschläger, Nicole; Österle, Werner; Leblebici, Yusuf; Alaca, B Erdem

    2016-03-01

    Introducing a single silicon nanowire with a known orientation and dimensions to a specific layout location constitutes a major challenge. The challenge becomes even more formidable, if one chooses to realize the task in a monolithic fashion with an extreme topography, a characteristic of microsystems. The need for such a monolithic integration is fueled by the recent surge in the use of silicon nanowires as functional building blocks in various electromechanical and optoelectronic applications. This challenge is addressed in this work by introducing a top-down, silicon-on-insulator technology. The technology provides a pathway for obtaining well-controlled silicon nanowires along with the surrounding microscale features up to a three-order-of-magnitude scale difference. A two-step etching process is developed, where the first shallow etch defines a nanoscale protrusion on the wafer surface. After applying a conformal protection on the protrusion, a deep etch step is carried out forming the surrounding microscale features. A minimum nanowire cross-section of 35 nm by 168 nm is demonstrated in the presence of an etch depth of 10 μm. Nanowire cross-sectional features are characterized via transmission electron microscopy and linked to specific process steps. The technology allows control on all dimensional aspects along with the exact location and orientation of the silicon nanowire. The adoption of the technology in the fabrication of micro and nanosystems can potentially lead to a significant reduction in process complexity by facilitating direct access to the nanowire during surface processes such as contact formation and doping. PMID:26854570

  4. A deep etching mechanism for trench-bridging silicon nanowires

    NASA Astrophysics Data System (ADS)

    Tasdemir, Zuhal; Wollschläger, Nicole; Österle, Werner; Leblebici, Yusuf; Erdem Alaca, B.

    2016-03-01

    Introducing a single silicon nanowire with a known orientation and dimensions to a specific layout location constitutes a major challenge. The challenge becomes even more formidable, if one chooses to realize the task in a monolithic fashion with an extreme topography, a characteristic of microsystems. The need for such a monolithic integration is fueled by the recent surge in the use of silicon nanowires as functional building blocks in various electromechanical and optoelectronic applications. This challenge is addressed in this work by introducing a top-down, silicon-on-insulator technology. The technology provides a pathway for obtaining well-controlled silicon nanowires along with the surrounding microscale features up to a three-order-of-magnitude scale difference. A two-step etching process is developed, where the first shallow etch defines a nanoscale protrusion on the wafer surface. After applying a conformal protection on the protrusion, a deep etch step is carried out forming the surrounding microscale features. A minimum nanowire cross-section of 35 nm by 168 nm is demonstrated in the presence of an etch depth of 10 μm. Nanowire cross-sectional features are characterized via transmission electron microscopy and linked to specific process steps. The technology allows control on all dimensional aspects along with the exact location and orientation of the silicon nanowire. The adoption of the technology in the fabrication of micro and nanosystems can potentially lead to a significant reduction in process complexity by facilitating direct access to the nanowire during surface processes such as contact formation and doping.

  5. The concentration effect of capping agent for synthesis of silver nanowire by using the polyol method

    SciTech Connect

    Lin, Jian-Yang; Hsueh, Yu-Lee; Huang, Jung-Jie

    2014-06-01

    Silver nanowires were synthesized by the polyol method employing ethylene glycol, Poly(N-vinylpyrrolidone) (PVP) and silver nitrate (AgNO{sub 3}) as the precursors. Most of the studies used metal salts (PtCl{sub 2}, NaCl) as seed precursor to synthesize the silver nanowires. In the study, the metal salts were not used and the concentration of capping agent was changed to observe the aspect ratio of silver nanowires. The experimental results showed that controlling synthesis temperature, Poly(N-vinylpyrrolidone) (PVP) molecular weight, reactant concentrations, and addition rates of AgNO{sub 3} affects the growth characteristics of silver nanowires. Field-emission scanning electron microscopy, UV–vis spectrophotometry, and X-ray diffractometry were employed to characterize the silver nanowires. As increasing the concentration of PVP, the silver nanowire diameter widened and resulted in a smaller aspect ratio. We successfully prepared silver nanowires (diameter: 170 nm, length: 20 μm). The silver nanowire thin film suspension showed high transmittance, low sheet resistance, and may be used for transparent conductive film applications. - Graphical abstract: The FE-SEM image shows that nanostructures with considerable quantities of silver nanowires can also be produced when the PVP (Mw=360 K)/AgNO{sub 3} molar ratio was 2.5. - Highlights: • The polyol method was used to synthesize of silver nanowire. • The metal seed precursors were not used before synthesizing the silver nanowires. • The silver nanowire diameter and length was 170 nm and 20 μm, respectively. • Silver nanowire film with high transmittance (>85%) and low sheet resistance (<110 Ω/sq)

  6. Conformation-dependent Molecular Orientation Deduced from First-principles Modeling of Oligo(ethylene glycol)-terminated and Amide Group Containing Alkanethiolates Self-assembled on Gold

    NASA Astrophysics Data System (ADS)

    Malysheva, L.; Onipko, A.; Valiokas, R.; Liedberg, B.

    2005-09-01

    We report orientation angles for the alkyl chain, amide group, and oligo(ethylene glycol) (OEG) portion within self-assembled monolayers (SAMs) of OEG-terminated and amide containing alkanethiolates which, depending on the OEG length and substrate temperature, display unique conformations — all-trans or helical. Optimized geometries of the molecular constituents, characteristic vibration frequencies and transition dipole moments are obtained by using DFT methods with gradient corrections. These ab initio data are subsequently used to simulate infrared reflection-absorption (RA) spectra associated with different conformations and orientations. The obtained results have generated a deeper knowledge of the internal SAM structure, which is crucial for understanding phase and folding characteristics, interaction with water and ultimately the protein repellent properties of OEG-containing SAMs.

  7. Size-matching effect on inorganic nanosheets: control of distance, alignment, and orientation of molecular adsorption as a bottom-up methodology for nanomaterials.

    PubMed

    Takagi, Shinsuke; Shimada, Tetsuya; Ishida, Yohei; Fujimura, Takuya; Masui, Dai; Tachibana, Hiroshi; Eguchi, Miharu; Inoue, Haruo

    2013-02-19

    We have been investigating complexes composed of nanolayered materials with anionic charges such as clay nanosheets and dye molecules such as cationic porphyrins. It was found that the structure of dye assembly on the layered materials can be effectively controlled by the use of electrostatic host-guest interaction. The intermolecular distance, the molecular orientation angle, the segregation/integration behavior, and the immobilization strength of the dyes can be controlled in the clay-dye complexes. The mechanism to control these structural factors has been discussed and was established as a size-matching effect. Unique photochemical reactions such as energy transfer through the use of this methodology have been examined. Almost 100% efficiency of the energy-transfer reaction was achieved in the clay-porphyrin complexes as a typical example for an artificial light-harvesting system. Control of the molecular orientation angle is found to be useful in regulating the energy-transfer efficiency and in preparing photofunctional materials exhibiting solvatochromic behavior. Through our study, clay minerals turned out to serve as protein-like media to control the molecular position, modify the properties of the molecule, and provide a unique environment for chemical reactions. PMID:23343172

  8. Infrared Transition Moment Orientational Analysis on the Structural Organization of the Distinct Molecular Subunits in Thin Layers of a High Mobility n-Type Copolymer.

    PubMed

    Anton, Arthur Markus; Steyrleuthner, Robert; Kossack, Wilhelm; Neher, Dieter; Kremer, Friedrich

    2015-05-13

    The IR-based method of infrared transition moment orientational analysis (IR-TMOA) is employed to unravel molecular order in thin layers of the semiconducting polymer poly[N,N'-bis(2-octyldodecyl)-1,4,5,8-naphthalenediimide-2,6-diyl]-alt-5,5'-(2,2'-bithiophene) (P(NDI2OD-T2)). Structure-specific vibrational bands are analyzed in dependence on polarization and inclination of the sample with respect to the optical axis. By that the molecular order parameter tensor for the respective molecular moieties with regard to the sample coordinate system is deduced. Making use of the specificity of the IR spectral range, we are able to determine separately the orientation of atomistic planes defined through the naphthalenediimide (NDI) and bithiophene (T2) units relative to the substrate, and hence, relative to each other. A pronounced solvent effect is observed: While chlorobenzene causes the T2 planes to align preferentially parallel to the substrate at an angle of 29°, using a 1:1 chloronaphthalene:xylene mixture results in a reorientation of the T2 units from a face on into an edge on arrangement. In contrast the NDI unit remains unaffected. Additionally, for both solvents evidence is observed for the aggregation of chains in accord with recently published results obtained by UV-vis absorption spectroscopy. PMID:25892664

  9. Nanowire structures and electrical devices

    DOEpatents

    Bezryadin, Alexey; Remeika, Mikas

    2010-07-06

    The present invention provides structures and devices comprising conductive segments and conductance constricting segments of a nanowire, such as metallic, superconducting or semiconducting nanowire. The present invention provides structures and devices comprising conductive nanowire segments and conductance constricting nanowire segments having accurately selected phases including crystalline and amorphous states, compositions, morphologies and physical dimensions, including selected cross sectional dimensions, shapes and lengths along the length of a nanowire. Further, the present invention provides methods of processing nanowires capable of patterning a nanowire to form a plurality of conductance constricting segments having selected positions along the length of a nanowire, including conductance constricting segments having reduced cross sectional dimensions and conductance constricting segments comprising one or more insulating materials such as metal oxides.

  10. High levels of molecular orientation of surface azo chromophores can be optically induced even in a wet biological environment.

    PubMed

    Sailer, Miloslav; Fernández, Raquel; Lu, Xiaoyu; Barrett, Christopher J

    2013-12-14

    We have developed polyelectrolyte multilayer bio-films containing azobenzene chromophores that enhance reversible photo-orientation upon irradiation with linearly polarized light, to effect surface photo-switching of adjacent biological systems. When conditions of film preparation and irradiation were optimized, we could observe the highest measured birefringence to date in amorphous systems (Δn > 0.2). This birefringence change to probe orientation was also for the first time measured and determined to be stable completely underwater, permitting optimization for in situ applications immersed in biological conditions. PMID:24153236

  11. Catalyst patterning for nanowire devices

    NASA Technical Reports Server (NTRS)

    Li, Jun (Inventor); Cassell, Alan M. (Inventor); Han, Jie (Inventor)

    2004-01-01

    Nanowire devices may be provided that are based on carbon nanotubes or single-crystal semiconductor nanowires. The nanowire devices may be formed on a substrate. Catalyst sites may be formed on the substrate. The catalyst sites may be formed using lithography, thin metal layers that form individual catalyst sites when heated, collapsible porous catalyst-filled microscopic spheres, microscopic spheres that serve as masks for catalyst deposition, electrochemical deposition techniques, and catalyst inks. Nanowires may be grown from the catalyst sites.

  12. Lipid nanotube or nanowire sensor

    DOEpatents

    Noy, Aleksandr; Bakajin, Olgica; Letant, Sonia; Stadermann, Michael; Artyukhin, Alexander B.

    2010-06-29

    A sensor apparatus comprising a nanotube or nanowire, a lipid bilayer around the nanotube or nanowire, and a sensing element connected to the lipid bilayer. Also a biosensor apparatus comprising a gate electrode; a source electrode; a drain electrode; a nanotube or nanowire operatively connected to the gate electrode, the source electrode, and the drain electrode; a lipid bilayer around the nanotube or nanowire, and a sensing element connected to the lipid bilayer.

  13. Lipid nanotube or nanowire sensor

    DOEpatents

    Noy, Aleksandr; Bakajin, Olgica; Letant, Sonia; Stadermann, Michael; Artyukhin, Alexander B.

    2009-06-09

    A sensor apparatus comprising a nanotube or nanowire, a lipid bilayer around the nanotube or nanowire, and a sensing element connected to the lipid bilayer. Also a biosensor apparatus comprising a gate electrode; a source electrode; a drain electrode; a nanotube or nanowire operatively connected to the gate electrode, the source electrode, and the drain electrode; a lipid bilayer around the nanotube or nanowire, and a sensing element connected to the lipid bilayer.

  14. Observation and tunability of room temperature photoluminescence of GaAs/GaInAs core-multiple-quantum-well shell nanowire structure grown on Si (100) by molecular beam epitaxy

    PubMed Central

    2014-01-01

    We report the observation of room temperature photoluminescence (PL) emission from GaAs/GaInAs core-multiple-quantum-well (MQW) shell nanowires (NWs) surrounded by AlGaAs grown by molecular beam epitaxy (MBE) using a self-catalyzed technique. PL spectra of the sample show two PL peaks, originating from the GaAs core NWs and the GaInAs MQW shells. The PL peak from the shell structure red-shifts with increasing well width, and the peak position can be tuned by adjusting the width of the MQW shell. The GaAs/GaInAs core-MQW shell NW surrounded by AlGaAs also shows an enhanced PL intensity due to the improved carrier confinement owing to the presence of an AlGaAs clad layer. The inclined growth of the GaAs NWs produces a core-MQW shell structure having a different PL peak position than that of planar QWs. The PL emission by MQW shell and the ability to tune the PL peak position by varying the shell width make such core-shell NWs highly attractive for realizing next generation ultrasmall light sources and other optoelectronics devices. PACS 81.07.Gf; 81.15.Hi; 78.55.Cr PMID:25489280

  15. Boosting Photon Harvesting in Organic Solar Cells with Highly Oriented Molecular Crystals via Graphene-Organic Heterointerface.

    PubMed

    Jo, Sae Byeok; Kim, Hyun Ho; Lee, Hansol; Kang, Boseok; Lee, Seongkyu; Sim, Myungsun; Kim, Min; Lee, Wi Hyoung; Cho, Kilwon

    2015-08-25

    Photon harvesting in organic solar cells is highly dependent on the anisotropic nature of the optoelectronic properties of photoactive materials. Here, we demonstrate an efficient approach to dramatically enhance photon harvesting in planar heterojunction solar cells by using a graphene-organic heterointerface. A large area, residue-free monolayer graphene is inserted at anode interface to serve as an atomically thin epitaxial template for growing highly orientated pentacene crystals with lying-down orientation. This anisotropic orientation enhances the overall optoelectronic properties, including light absorption, charge carrier lifetime, interfacial energetics, and especially the exciton diffusion length. Spectroscopic and crystallographic analysis reveal that the lying-down orientation persists until a thickness of 110 nm, which, along with increased exciton diffusion length up to nearly 100 nm, allows the device optimum thickness to be doubled to yield significantly enhanced light absorption within the photoactive layers. The resultant photovoltaic performance shows simultaneous increment in Voc, Jsc, and FF, and consequently a 5 times increment in the maximum power conversion efficiency than the equivalent devices without a graphene layer. The present findings indicate that controlling organic-graphene heterointerface could provide a design strategy of organic solar cell architecture for boosting photon harvesting. PMID:26166186

  16. Characterization of ultrathin II-VI semiconductor nanowires by transmission electron microscopy

    NASA Astrophysics Data System (ADS)

    Cai, Yuan

    Using the molecular-beam epitaxy technique, high-quality and ultra thin ZnSe and ZnS nanowires have been fabricated on different substrates based on the Au-catalytic vapor-liquid-solid (VLS) reaction. The nucleation, initial growth, growth rates, defects, interface structures and growth direction of the nanowires were systematically investigated by high-resolution transmission electron microscopy (HRTEM). The possible mechanisms of nanowire formation were proposed by combining the classical VLS process with the surface diffusion theory. The electrical and optical properties were also characterized. Particularly, this study has focused on how the growth temperature and the size of the catalysts influence the morphology, structure and growth direction of these nanowires. The nanowires were grown on different substrates, e.g., GaAs (001), (110) and (111). The Au catalysts were prepared by depositing a thin layer of Au on the substrate at 150°C and annealing the substrate subsequently at 530°C for 10 min. Uniform Au-alloy droplets formed on the substrate surface by the annealing process. The sizes of Au droplets were mainly determined by the thickness of the Au thin layer. The Au droplets initially reacted with the substrate of GaAs to form AuGa2 phase and As evaporated. For ZnSe substrates, Au-Zn alloy formed and Se evaporated. The nanowires were then grown at temperatures ranging from 390°C to 530°C, using a ZnSe or ZnS compound source. The morphology and structure of the ZnSe nanowires grown by MBE are in some way dependent on the growth conditions such as the substrate temperature. The nanowires grown at a high temperature (TS=520°C) exhibit smooth surfaces and uniform diameters. In contrast, the nanowires grown at a low temperature (TS=400°C) have a tapered shape and slightly sawtooth facets. In addition, the decrease of growth temperature greatly increases the density of defects. But the interfaces between the catalysts and nanowires are generally the

  17. High-Yield Growth and Characterization of ⟨100⟩ InP p-n Diode Nanowires.

    PubMed

    Cavalli, Alessandro; Wang, Jia; Esmaeil Zadeh, Iman; Reimer, Michael E; Verheijen, Marcel A; Soini, Martin; Plissard, Sebastien R; Zwiller, Val; Haverkort, Jos E M; Bakkers, Erik P A M

    2016-05-11

    Semiconductor nanowires are nanoscale structures holding promise in many fields such as optoelectronics, quantum computing, and thermoelectrics. Nanowires are usually grown vertically on (111)-oriented substrates, while (100) is the standard in semiconductor technology. The ability to grow and to control impurity doping of ⟨100⟩ nanowires is crucial for integration. Here, we discuss doping of single-crystalline ⟨100⟩ nanowires, and the structural and optoelectronic properties of p-n junctions based on ⟨100⟩ InP nanowires. We describe a novel approach to achieve low resistance electrical contacts to nanowires via a gradual interface based on p-doped InAsP. As a first demonstration in optoelectronic devices, we realize a single nanowire light emitting diode in a ⟨100⟩-oriented InP nanowire p-n junction. To obtain high vertical yield, which is necessary for future applications, we investigate the effect of the introduction of dopants on the nanowire growth. PMID:27045232

  18. Mapping the magnetic and crystal structure in cobalt nanowires

    SciTech Connect

    Cantu-Valle, Jesus; Betancourt, Israel; Sanchez, John E.; Ruiz-Zepeda, Francisco; Mendoza-Santoyo, Fernando; Ponce, Arturo; Maqableh, Mazin M.; Stadler, Bethanie J. H.

    2015-07-14

    Using off-axis electron holography under Lorentz microscopy conditions to experimentally determine the magnetization distribution in individual cobalt (Co) nanowires, and scanning precession-electron diffraction to obtain their crystalline orientation phase map, allowed us to directly visualize with high accuracy the effect of crystallographic texture on the magnetization of nanowires. The influence of grain boundaries and disorientations on the magnetic structure is correlated on the basis of micromagnetic analysis in order to establish the detailed relationship between magnetic and crystalline structure. This approach demonstrates the applicability of the method employed and provides further understanding on the effect of crystalline structure on magnetic properties at the nanometric scale.

  19. Mapping the magnetic and crystal structure in cobalt nanowires

    PubMed Central

    Cantu-Valle, Jesus; Betancourt, Israel; Sanchez, John E.; Ruiz-Zepeda, Francisco; Maqableh, Mazin M.; Mendoza-Santoyo, Fernando; Stadler, Bethanie J. H.; Ponce, Arturo

    2015-01-01

    Using off-axis electron holography under Lorentz microscopy conditions to experimentally determine the magnetization distribution in individual cobalt (Co) nanowires, and scanning precession-electron diffraction to obtain their crystalline orientation phase map, allowed us to directly visualize with high accuracy the effect of crystallographic texture on the magnetization of nanowires. The influence of grain boundaries and disorientations on the magnetic structure is correlated on the basis of micromagnetic analysis in order to establish the detailed relationship between magnetic and crystalline structure. This approach demonstrates the applicability of the method employed and provides further understanding on the effect of crystalline structure on magnetic properties at the nanometric scale. PMID:26221057

  20. Solvothermal synthesis and characterization of uniform CdS nanowires in high yield

    NASA Astrophysics Data System (ADS)

    Qingqing, Wang; Gang, Xu; Gaorong, Han

    2005-09-01

    Large-scale CdS nanowires with uniform diameter and high aspect ratios were synthesized using a simple solvothermal route that employed CdCl 2 and S powder as starting materials, ethylenediamine (en) as the solvent. X-ray diffraction (XRD) pattern and transmission electron microscopy (TEM) images show that the products are hexagonal structure CdS nanowires with diameter of 40 nm and length up to 10 μm. Selected area electron diffraction (SAED) and high resolution TEM (HRTEM) studies indicate the single-crystalline nature of CdS nanowires with an oriented growth along the c-axis direction. The optical properties of the products were characterized by optical absorption spectra and photoluminescence spectra. Based on the results of contrastive experiments, it is found that the sulfur source and the solvent play significant roles in the formation of uniform nanowires. A possible formation mechanism of nanowires is discussed.