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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 PAGES

    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. Viral assembly of oriented quantum dot nanowires

    NASA Astrophysics Data System (ADS)

    Mao, Chuanbin; Flynn, Christine E.; Hayhurst, Andrew; Sweeney, Rozamond; Qi, Jifa; Georgiou, George; Iverson, Brent; Belcher, Angela M.

    2003-06-01

    The highly organized structure of M13 bacteriophage was used as an evolved biological template for the nucleation and orientation of semiconductor nanowires. To create this organized template, peptides were selected by using a pIII phage display library for their ability to nucleate ZnS or CdS nanocrystals. The successful peptides were expressed as pVIII fusion proteins into the crystalline capsid of the virus. The engineered viruses were exposed to semiconductor precursor solutions, and the resultant nanocrystals that were templated along the viruses to form nanowires were extensively characterized by using high-resolution analytical electron microscopy and photoluminescence. ZnS nanocrystals were well crystallized on the viral capsid in a hexagonal wurtzite or a cubic zinc blende structure, depending on the peptide expressed on the viral capsid. Electron diffraction patterns showed single-crystal type behavior from a polynanocrystalline area of the nanowire formed, suggesting that the nanocrystals on the virus were preferentially oriented with their [001] perpendicular to the viral surface. Peptides that specifically directed CdS nanocrystal growth were also engineered into the viral capsid to create wurtzite CdS virus-based nanowires. Lastly, heterostructured nucleation was achieved with a dual-peptide virus engineered to express two distinct peptides within the same viral capsid. This work represents a genetically controlled biological synthesis route to a semiconductor nanoscale heterostructure.

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

    NASA Astrophysics Data System (ADS)

    Yu, Hong; Chen, Hong-Bo

    2016-06-01

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

  5. 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

  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

    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 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

  9. Molecular memory based on nanowire-molecular wire heterostructures.

    PubMed

    Li, Chao; Lei, Bo; Fan, Wendy; Zhang, Daihua; Meyyappan, M; Zhou, Chongwu

    2007-01-01

    This article reviews the recent research of molecular memory based on self-assembled nanowire-molecular wire heterostructures. These devices exploit a novel concept of using redox-active molecules as charge storage flash nodes for nanowire transistors, and thus boast many advantages such as room-temperature processing and nanoscale device area. Various key elements of this technology will be reviewed, including the synthesis of the nanowires and molecular wires, and fabrication and characterization of the molecular memory devices. In particular, multilevel memory has been demonstrated using In2O3 nanowires with self-assembled Fe-bis(terpyridine) molecules, which serve to multiple the charge storage density without increasing the device size. Furthermore, in-depth studies on memory devices made with different molecules or with different functionalization techniques will be reviewed and analyzed. These devices represent a conceptual breakthrough in molecular memory and may work as building blocks for future beyond-CMOS nanoelectronic circuits.

  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.

  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. 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.

  14. 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

  15. 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.

  16. 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

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

    PubMed

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

    2016-07-13

    Epitaxy-enabled bottom-up synthesis of self-assembled planar nanowires via the vapor-liquid-solid mechanism is an emerging and promising approach toward large-scale direct integration of nanowire-based devices without postgrowth alignment. Here, by examining large assemblies of indium tin oxide nanowires on yttria-stabilized zirconia substrate, we demonstrate for the first time that the growth dynamics of planar nanowires follows a modified version of the Gibbs-Thomson mechanism, which has been known for the past decades to govern the correlations between thermodynamic supersaturation, growth speed, and nanowire morphology. Furthermore, the substrate orientation strongly influences the growth characteristics of epitaxial planar nanowires as opposed to impact at only the initial nucleation stage in the growth of vertical nanowires. The rich nanowire morphology can be described by a surface-energy-dependent growth model within the Gibbs-Thomson framework, which is further modulated by the tin doping concentration. Our experiments also reveal that the cutoff nanowire diameter depends on the substrate orientation and decreases with increasing tin doping concentration. These results enable a deeper understanding and control over the growth of planar nanowires, and the insights will help advance the fabrication of self-assembled nanowire devices. PMID:27254592

  18. 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

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

    PubMed

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

    2016-06-01

    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.

  20. In Situ Formation of Crystallographically Oriented Semiconductor Nanowire Arrays via Selective Vaporization for Optoelectronic Applications.

    PubMed

    Huang, Xing; Yu, Yongqiang; Jones, Travis; Fan, Hua; Wang, Lei; Xia, Jing; Wang, Zhu-Jun; Shao, Li-Dong; Meng, Xiang-Min; Willinger, Marc-Georg

    2016-09-01

    Direct transformation of bulk crystals to single-crystalline crystallographically oriented semiconductor nanowire arrays is presented. Real-time imaging during in situ environmental scanning electron microscopy experiment clearly demonstrates that the nanowire arrays form through a selective vaporization process with respect to the crystallography of wurtzite crystals. Due to the high quality of the prepared semiconductor nanowire arrays, photodetectors constructed from them can present superior optoelectronic performances. PMID:27373221

  1. 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

  2. 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

  3. 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.

  4. 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.

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

    SciTech Connect

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

    2015-01-07

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

  6. 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.

  7. Vapor-liquid-Solid synthesis of [010]-oriented Sb2Se3 nanowires.

    PubMed

    Farfán, Willinton; Mosquera, Edgar; Vadapoo, Rajasekarakumar; Krishnan, Sridevi; Marín, Carlos

    2010-09-01

    In this article we report for the first time the synthesis of Sb2Se3 nanowires using a physical vapor-liquid-solid (VLS) process. We used microcrystals of Antimony as solid catalytic material and molten Selenium to generate the vapor source. Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM) images show that as-obtained Sb2Se3 nanowires have diameters in the range between 20 nm and 2 microm and lengths up to 30 microm. Fringes in TEM imaging reveals that Sb2Se3 nanowires are oriented along the [010] crystallographic direction. This orientation is being reported for the first time.

  8. Thermal conductivity of silicon nanowire by nonequilibrium molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Wang, Shuai-chuang; Liang, Xin-gang; Xu, Xiang-hua; Ohara, Taku

    2009-01-01

    The thermal conductivity of silicon nanowires was predicted using the nonequilibrium molecular dynamics method using the Stillinger-Weber potential model and the Nose-Hoover thermostat. The dependence of the thermal conductivity on the wire length, cross-sectional area, and temperature was investigated. The surface along the longitudinal direction was set as a free boundary with potential boundaries in the other directions. The cross-sectional areas of the nanowires ranged from about 5 to 19 nm2 with lengths ranging from 6 to 54 nm. The thermal conductivity dependence on temperature agrees well with the experimental results. The reciprocal of the thermal conductivity was found to be linearly related to the nanowire length. These results quantitatively show that decreasing the cross-sectional area reduces the phonon mean free path in nanowires.

  9. Multiferroic materials based on organic transition-metal molecular nanowires.

    PubMed

    Wu, Menghao; Burton, J D; Tsymbal, Evgeny Y; Zeng, Xiao Cheng; Jena, Puru

    2012-09-01

    We report on the density functional theory aided design of a variety of organic ferroelectric and multiferroic materials by functionalizing crystallized transition-metal molecular sandwich nanowires with chemical groups such as -F, -Cl, -CN, -NO(2), ═O, and -OH. Such functionalized polar wires exhibit molecular reorientation in response to an electric field. Ferroelectric polarizations as large as 23.0 μC/cm(2) are predicted in crystals based on fully hydroxylized sandwich nanowires. Furthermore, we find that organic nanowires formed by sandwiching transition-metal atoms in croconic and rhodizonic acids, dihydroxybenzoquinone, dichloro-dihydroxy-p-benzoquinone, or benzene decorated by -COOH groups exhibit ordered magnetic moments, leading to a multiferroic organometallic crystal. When crystallized through hydrogen bonds, the microscopic molecular reorientation translates into a switchable polarization through proton transfer. A giant interface magnetoelectric response that is orders of magnitude greater than previously reported for conventional oxide heterostructure interfaces is predicted. PMID:22881120

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

    PubMed

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

    2014-10-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

    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.

  13. 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.

  14. 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

  15. (110) Orientation growth of magnetic metal nanowires with face-centered cubic structure using template synthesis technique

    SciTech Connect

    Wang Xuewei; Yuan Zhihao; Li Jushan

    2011-06-15

    A template-assisted assembly technique has been used to synthesize magnetic metal nanowire arrays. Fe, Co, Ni nanowires are fabricated using direct-current electrodeposition in the pores of anodic alumina membranes. The morphology and the crystal structure of the samples are characterized by field-emission scanning electron microscopy, transmission electron microscopy, and X-ray diffractometer. The results indicate that Fe, Co, and Ni nanowires all have face-centered cubic (FCC) structure and a preferred orientation along the [110] direction. The ability to prepare well-defined orientation growth of magnetic metal nanowires with FCC structure opens up new opportunities for both fundamental studies and nanodevice applications. - Research Highlights: {yields} Fe, Co, and Ni nanowires are fabricated in the AAM templates by electrodeposition. {yields} Well-defined orientation growth of the nanowires with FCC structure were investigated. {yields} The electrodeposition parameters affect the crystal structure and growth orientation.

  16. 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.

  17. 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

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

    PubMed

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

    2007-01-01

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

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

    SciTech Connect

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

    2008-12-08

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

  20. Automated Characterization and Sorting of Nanowires by Solution-Based Electro-Orientation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Akin, Cevat; Shan, Jerry

    2013-11-01

    The electrical conductivity and/or permittivity of nanowires and nanotubes are often poorly known and difficult to measure, requiring cleanroom-based microfabrication and precision positioning to measure directly. Traditional direct-characterization methods are also not compatible with further solution-based processing of nanowires. Electro-orientation spectroscopy, the rotation of nanowires in liquid suspension into alignment with external AC electric fields of different frequency, offers an alternative measurement technique that is simple and also compatible with further solution-based sorting and positioning of particles. We present the theory and our experimental results obtained by optical microscopy on the alignment rate of suspended nanowires of known conductivities under spatially uniform AC electric fields of different frequency. The deduced electrical conductivities of the nanowires are compared to direct 2-point-probe measurements. We demonstrate the compatibility of the electro-orientation method with further solution-based processing by implementing the technique in a novel microfluidic device capable of automated electrical characterization and sorting of nanowires.

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

    PubMed

    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

  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. 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

  4. 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.

  5. 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.

  6. Epitaxy-enabled vapor-liquid-solid growth of tin-doped indium oxide nanowires with controlled orientations.

    PubMed

    Shen, Youde; Turner, Stuart; Yang, Ping; Van Tendeloo, Gustaaf; Lebedev, Oleg I; Wu, Tom

    2014-08-13

    Controlling the morphology of nanowires in bottom-up synthesis and assembling them on planar substrates is of tremendous importance for device applications in electronics, photonics, sensing and energy conversion. To date, however, there remain challenges in reliably achieving these goals of orientation-controlled nanowire synthesis and assembly. Here we report that growth of planar, vertical and randomly oriented tin-doped indium oxide (ITO) nanowires can be realized on yttria-stabilized zirconia (YSZ) substrates via the epitaxy-assisted vapor-liquid-solid (VLS) mechanism, by simply regulating the growth conditions, in particular the growth temperature. This robust control on nanowire orientation is facilitated by the small lattice mismatch of 1.6% between ITO and YSZ. Further control of the orientation, symmetry and shape of the nanowires can be achieved by using YSZ substrates with (110) and (111), in addition to (100) surfaces. Based on these insights, we succeed in growing regular arrays of planar ITO nanowires from patterned catalyst nanoparticles. Overall, our discovery of unprecedented orientation control in ITO nanowires advances the general VLS synthesis, providing a robust epitaxy-based approach toward rational synthesis of nanowires. PMID:24971997

  7. 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.

  8. 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.

  9. 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.

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

    PubMed

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

    2014-01-15

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

  11. Observation of ‘hidden’ planar defects in boron carbide nanowires and identification of their orientations

    PubMed Central

    2014-01-01

    The physical properties of nanostructures strongly depend on their structures, and planar defects in particular could significantly affect the behavior of the nanowires. In this work, planar defects (twins or stacking faults) in boron carbide nanowires are extensively studied by transmission electron microscopy (TEM). Results show that these defects can easily be invisible, i.e., no presence of characteristic defect features like modulated contrast in high-resolution TEM images and streaks in diffraction patterns. The simplified reason of this invisibility is that the viewing direction during TEM examination is not parallel to the (001)-type planar defects. Due to the unique rhombohedral structure of boron carbide, planar defects are only distinctive when the viewing direction is along the axial or short diagonal directions ([100], [010], or 1¯10) within the (001) plane (in-zone condition). However, in most cases, these three characteristic directions are not parallel to the viewing direction when boron carbide nanowires are randomly dispersed on TEM grids. To identify fault orientations (transverse faults or axial faults) of those nanowires whose planar defects are not revealed by TEM, a new approach is developed based on the geometrical analysis between the projected preferred growth direction of a nanowire and specific diffraction spots from diffraction patterns recorded along the axial or short diagonal directions out of the (001) plane (off-zone condition). The approach greatly alleviates tedious TEM examination of the nanowire and helps to establish the reliable structure–property relations. Our study calls attention to researchers to be extremely careful when studying nanowires with potential planar defects by TEM. Understanding the true nature of planar defects is essential in tuning the properties of these nanostructures through manipulating their structures. PMID:24423258

  12. Orientation-dependent interfacial mobility governs the anisotropic swelling in lithiated silicon nanowires.

    PubMed

    Yang, Hui; Huang, Shan; Huang, Xu; Fan, Feifei; Liang, Wentao; Liu, Xiao Hua; Chen, Long-Qing; Huang, Jian Yu; Li, Ju; Zhu, Ting; Zhang, Sulin

    2012-04-11

    Recent independent experiments demonstrated that the lithiation-induced volume expansion in silicon nanowires, nanopillars, and microslabs is highly anisotropic, with predominant expansion along the <110> direction but negligibly small expansion along the <111> direction. The origin of such anisotropic behavior remains elusive. Here, we develop a chemomechanical model to study the phase evolution and morphological changes in lithiated silicon nanowires. The model couples the diffusive reaction of lithium with the lithiation-induced elasto-plastic deformation. We show that the apparent anisotropic swelling is critically controlled by the orientation-dependent mobility of the core-shell interface, i.e., the lithiation reaction rate at the atomically sharp phase boundary between the crystalline core and the amorphous shell. Our results also underscore the importance of structural relaxation by plastic flow behind the moving phase boundary, which is essential to quantitative prediction of the experimentally observed morphologies of lithiated silicon nanowires. The study sheds light on the lithiation-mediated failure in nanowire-based electrodes, and the modeling framework provides a basis for simulating the morphological evolution, stress generation, and fracture in high-capacity electrodes for the next-generation lithium-ion batteries.

  13. 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.

  14. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  16. 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.

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

    DOE PAGES

    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

  18. 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

  19. 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.

  20. 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

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

    PubMed Central

    2011-01-01

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

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

    DOE PAGES

    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

  3. 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.

  4. 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.

  5. [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.

  6. 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).

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  8. Thermal boundary conductance between Al films and GaN nanowires investigated with molecular dynamics.

    PubMed

    Zhou, Xiao-Wang; Jones, Reese E; Hopkins, Patrick E; Beechem, Thomas E

    2014-05-28

    GaN nanowires are being pursued for optoelectronic and high-power applications. In either use, increases in operating temperature reduce both performance and reliability making it imperative to minimize thermal resistances. Since interfaces significantly influence the thermal response of nanosystems, the thermal boundary resistance between GaN nanowires and metal contacts has major significance. In response, we have performed systematic molecular dynamics simulations to study the thermal boundary conductance between GaN nanowires and Al films as a function of nanowire dimensions, packing density, and the depth the nanowire is embedded into the metal contact. At low packing densities, the apparent Kapitza conductance between GaN nanowires and an aluminum film is shown to be larger than when contact is made between films of these same materials. This enhancement decreases toward the film-film limit, however, as the packing density increases. For densely packed nanowires, maximizing the Kapitza conductance can be achieved by embedding the nanowires into the films, as the conductance is found to be proportional to the total contact area.

  9. 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.

  10. 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.

  11. Tuning molecular orientation in protein films

    NASA Astrophysics Data System (ADS)

    Alessandrini, Andrea; Gerunda, Mimmo; Facci, Paolo; Schnyder, Bernhard; Kötz, Rüdiger

    2003-09-01

    The rational design of azurin metalloprotein assemblies suitable for biomolecular electronics application has been achieved by exploiting different surface chemical approaches for growing active protein layers on both metal and insulating surfaces. The formed layers, which have been tested extensively by scanning force microscopy (SFM), spectroscopic ellipsometry, X-ray photoelectron spectroscopy (XPS), and electrochemical measurements (cyclic and linear voltammetry (CV and LV)), consist of redox active molecules endowed with tuneable orientation according to the particular functional group exploited for surface immobilization. The peculiar molecular arrangement has turned out to be responsible for different transport properties in solid state hybrid electronic planar devices.

  12. 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.

  13. 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

  14. 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

  15. 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.

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

    PubMed

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

    2009-01-01

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

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

    PubMed

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

    2009-01-01

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

  18. Surface passivation and orientation dependence in the electronic properties of silicon nanowires.

    PubMed

    Zhuo, Keenan; Chou, Mei-Yin

    2013-04-10

    Various surface passivations for silicon nanowires have previously been investigated to extend their stability and utility. However, the fundamental mechanisms by which such passivations alter the electronic properties of silicon nanowires have not been clearly understood thus far. In this work, we address this issue through first-principles calculations on fluorine, methyl and hydrogen passivated [110] and [111] silicon nanowires. Comparing these results, we explain how passivations may alter the electronic structure through quantum confinement and strain and demonstrate how silicon nanowires may be modelled by an infinite circular quantum well. We also discuss why [110] nanowires are more strongly influenced by their surface passivation than [111] nanowires.

  19. Orientation dependence of nickel silicide formation in contacts to silicon nanowires

    NASA Astrophysics Data System (ADS)

    Dellas, N. S.; Liu, B. Z.; Eichfeld, S. M.; Eichfeld, C. M.; Mayer, T. S.; Mohney, S. E.

    2009-05-01

    The orientation dependence of Ni silicide phase formation in the silicidation of silicon nanowires (SiNWs) by Ni has been studied. SiNWs with a [112] growth direction contacted by Ni pads form θ-Ni2Si for annealing conditions from 350 to 700 °C for 2 min. The θ-Ni2Si has an epitaxial orientation of θ-Ni2Si[001]∥Si[111¯] and θ-Ni2Si(100)∥Si(112) with the SiNW. On the other hand, SiNWs with a [111] growth direction react with Ni pads to form NiSi2 with an epitaxial orientation of NiSi2[11¯0]∥Si[11¯0] and NiSi2(111)∥Si(111) after annealing at 450 °C for 2 min. The [111] SiNWs were also silicided at 700 °C for 2 min, forming the low-resistivity NiSi phase. The epitaxial phases identified in the reactions of Ni films with SiNWs suggest that lattice matching at both the silicide/Si growth front and the surface of the original SiNW may play a significant role in determining the first silicide segment to grow.

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

    PubMed

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

    2016-03-01

    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.

  1. Temperature-dependent H{sub 2} gas-sensing properties of fabricated Pd nanowires using highly oriented pyrolytic graphite

    SciTech Connect

    Sennik, Erdem; Kilinc, Necmettin; Oeztuerk, Zafer Ziya

    2010-09-15

    Horizontal palladium (Pd) nanowires and Pd nanoparticles were successfully fabricated directly on highly oriented pyrolytic graphite depending on the electrodeposition time using palladium nitrate [Pd(NO{sub 2}){sub 3}] solution at room temperature, and the temperature-dependent hydrogen (H{sub 2}) sensing properties of these structures were investigated in the concentration range of 50-5000 ppm. Pd nanowires and Pd nanoparticles were fabricated on a graphite surface by applying triple-pulsed potential with varying the electrodeposition time from 400 to 600 s. The fabricated Pd nanowires were characterized by scanning electron microscopy and energy-dispersive x-ray spectroscopy. It was found that the nanowire arrays were continuous, parallel to each other and ordered after an electrodeposition time of 600 s. The diameters of the Pd nanowires and Pd nanoparticles are observed in the range of 70-180 nm. The H{sub 2} sensing properties of these structures were determined with variation in resistance measurements. It was observed that the limit of detection is lower than 50 ppm H{sub 2}, the sensor response was approximately 2% for 1000 ppm H{sub 2} at room temperature, and the sensor response was decreased with increasing temperature.

  2. The effects of size and orientation on magnetic properties and exchange bias in Co3O4 mesoporous nanowires

    NASA Astrophysics Data System (ADS)

    Zeng, R.; Wang, J. Q.; Chen, Z. X.; Li, W. X.; Dou, S. X.

    2011-04-01

    Co3O4 mesoporous nanowires with average single crystalline grain sizes of about 8 nm, 12nm, 25 nm, and 45 nm were synthesized by sintering of microwave-assisted hydrothermal processed belt-Co(OH)2 precursors at 300-500 °C for 2 h. Microstructure analysis was conducted by x-ray diffraction, x-ray photoelectron spectroscopy, Raman spectroscopy, scanning electron microscopy (SEM), field emission SEM (FESEM), transmission electron microscopy (TEM), and high resolution TEM (HRTEM) to confirm the composition, structure, and orientation in the nanowires. Systematic magnetic measurements have also been conducted on the nanowires. It was found that the size and orientation have significant effects on the magnetic and exchange bias properties. The interesting finding was made that room temperature ferromagnetism appeared at 350 °C in the high orientation samples. Systematic comparison and analysis of the relationships among the grain size, microstructure, orientation (texture), surface electric structure (O vacancies), and defects with magnetic properties (ferromagnetism, coercive field, exchange bias, etc.) are presented in this work.

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

    PubMed Central

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

    2013-01-01

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

  4. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-09-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

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

    NASA Astrophysics Data System (ADS)

    Şopu, D.; Stoica, M.; Eckert, J.

    2015-05-01

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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. ZnSe/CdSe Superlattice Nanowires by Catalyst-assisted Molecular Beam Epitaxy

    SciTech Connect

    Karczewski, G.; Dluzewski, P.; Kret, S.; Klopotowski, L.; Wojtowicz, T.

    2007-04-10

    We report on Au catalyst-assisted molecular beam epitaxy growth and properties of pure ZnSe and ZnSe/CdSe superlattice nanowires. In particular, we concentrate our attention on the morphological characterization by transmission and scanning electron microscopy of pure ZnSe NWs and we compare their optical properties with those of ZnSe/CdSe superlattice NWs fabricated at the same technological conditions.

  15. Molecular beacon-metal nanowire interface: effect of probe sequence and surface coverage on sensor performance.

    PubMed

    Cederquist, Kristin B; Stoermer Golightly, Rebecca; Keating, Christine D

    2008-08-19

    We report the effect of surface coverage and sequence on the performance of 5' thiolated, 3' fluorophore-labeled DNA hairpin probes bound to Au/Ag striped ("barcoded") metal nanowires. Coverage was controlled by varying probe concentration, buffer ionic strength, and by addition of short hydroxy-terminated alkanethiol diluent molecules during probe assembly onto the nanowire surface. Surface dilution of the surface-bound probes with a omega-hydroxyl alkanethiol, a commonly accepted practice in the surface-bound DNA literature, did not appreciably improve sensor performance as compared to similar probe coverages without hydroxyalkanethiol diluents; this finding underscores the differences between the molecular beacon probes used here and more traditional nonfluorescent, random coil probes. We found that intermediate probe coverage of approximately 10 (12) molecules/cm (2) gave the best discrimination between presence and absence of a target sequence. Because we are interested in multiplexed assays, we also compared several beacon probe sequences having different stabilities for secondary structure formation in solution; we found that both probe surface coverage and sensor performance varied for different probe sequences. When five different molecular beacon probes, each bound to barcoded nanowires, were used in a multiplexed, wash-free assay for target oligonucleotides corresponding to viral nucleic acid sequences, these differences in probe performance did not prevent accurate target identification. We anticipate that the findings described here will also be relevant to other applications involving molecular beacons or other structured nucleic acid probes immobilized on metal surfaces.

  16. 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

  17. 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.

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

    PubMed

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

    2012-01-11

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

  19. Coupling molecular beacons to barcoded metal nanowires for multiplexed, sealed chamber DNA bioassays.

    PubMed

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

    2006-12-27

    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 DeltaG of folding in 500 mM buffered NaCl of approximately -4 kcal/mol performed better than those with DeltaG > -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 degrees 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 approximately 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.

  20. Specific features of formation of GaAs nanowire crystals during molecular beam epitaxy on different silicon surfaces

    SciTech Connect

    Samsonenko, Yu. B. Cirlin, G. E.; Egorov, V. A.; Polyakov, N. K.; Ulin, V. P.; Dubrovskii, V. G.

    2008-12-15

    The results of experimental studies on the growth and the morphological and structural properties of GaAs nanowire crystals on different silicon surfaces are reported. It is shown that the nonplanar geometrical layout of growth allows the production of epitaxial nanowire crystals in a system with a large lattice mismatch. The growth on porous substrates, the role of the surface orientation, high-temperature annealing, and presence of an oxide layer at the surface, and some other effects typical of growth of III-V nanowire crystals on the Si surface are studied and analyzed. Intense emission from the array of GaAs nanowire crystals grown on the Si (111) surface is observed.

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. Optimal molecular alignment and orientation through rotational ladder climbing

    NASA Astrophysics Data System (ADS)

    Salomon, Julien; Dion, Claude M.; Turinici, Gabriel

    2005-10-01

    We study the control by electromagnetic fields of molecular alignment and orientation in a linear, rigid-rotor model. With the help of a monotonically convergent algorithm, we find that the optimal field is in the microwave part of the spectrum and acts by resonantly exciting the rotation of the molecule progressively from the ground state, i.e., by rotational ladder climbing. This mechanism is present not only when maximizing orientation or alignment, but also when using prescribed target states that simultaneously optimize the efficiency of orientation/alignment and its duration. The extension of the optimization method to consider a finite rotational temperature is also presented.

  10. Optimal molecular alignment and orientation through rotational ladder climbing.

    PubMed

    Salomon, Julien; Dion, Claude M; Turinici, Gabriel

    2005-10-01

    We study the control by electromagnetic fields of molecular alignment and orientation in a linear, rigid-rotor model. With the help of a monotonically convergent algorithm, we find that the optimal field is in the microwave part of the spectrum and acts by resonantly exciting the rotation of the molecule progressively from the ground state, i.e., by rotational ladder climbing. This mechanism is present not only when maximizing orientation or alignment, but also when using prescribed target states that simultaneously optimize the efficiency of orientation/alignment and its duration. The extension of the optimization method to consider a finite rotational temperature is also presented. PMID:16238394

  11. 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.

  12. Effect of rubbing on the molecular orientation within polyimide orienting layers of liquid-crystal displays

    NASA Astrophysics Data System (ADS)

    van Aerle, N. A. J. M.; Barmentlo, M.; Hollering, R. W. J.

    1993-09-01

    The influence of various rubbing parameters on the molecular reorientation of thin polyimide orienting layers, used to align liquid-crystal (LC) molecules within liquid-crystal displays, has been studied. For this purpose the optical phase retardation in the polymer layer, explicitly induced during the rubbing treatment, was determined. The observed rubbing-induced phase retardation can directly be related to a molecular orientation within the polymer orienting layer, as could be shown by infrared dichroism studies. Furthermore, it is found that the top of the polymer layer, directly contacting the rubbing cloth during the actual rubbing process, is almost instantaneously oriented to a certain maximum value as soon as the rubbing is started. Additional or stronger rubbing has no detectable influence on the orientation within the top layer. Increasing the rubbing density or the rubbing pressure only results in an increase of the penetration depth of the rubbing process, i.e., molecular reorientation occurs deeper within the layer. Experiments show that the penetration depth can be varied from less than 10 nm to more than 60 nm by variation in rubbing conditions. These findings are supported by surface second-harmonic-generation studies of LC monolayers deposited onto rubbed orienting layers and by infrared dichroism studies.

  13. 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.

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

    PubMed

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

    2015-11-01

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

  15. 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.

  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. 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

  18. 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.

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

    PubMed

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

    2016-01-01

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

  20. 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

  1. 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.

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

    PubMed

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

    2011-05-01

    A number of different potentials are currently being used in molecular dynamics simulations of semiconductor nanostructures. Confusion can arise if an inappropriate potential is used. To illustrate this point, we performed direct molecular dynamics simulations to predict the room temperature lattice thermal conductivity λ of thin GaAs, InAs and InP nanowires. In each case, simulations performed using the classical Harrison potential afforded values of λ about an order of magnitude smaller than those obtained using more elaborate potentials (an Abell-Tersoff, as parameterized by Hammerschmidt et al for GaAs and InAs, and a potential of Vashishta type for InP). These results will be a warning to those wishing to use computer simulations to orient the development of quasi-one-dimensional systems as heat sinks or thermoelectric devices. PMID:21427474

  3. 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

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

    PubMed

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

    2016-09-15

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

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

    PubMed

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

    2010-06-21

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

  6. 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

  7. 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

  8. 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.

  9. Ligand Pose and Orientational Sampling in Molecular Docking

    PubMed Central

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

    2013-01-01

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

  10. Growth of oriented molecular sieve crystals on organophosphonate films

    NASA Astrophysics Data System (ADS)

    Feng, S.; Bein, T.

    1994-04-01

    THE successful construction of complex organic/inorganic bio-mimetic systems1-3has demonstrated the great power of supra-molecular pre-organization and templating in controlling crystal growth4. For instance, polar organic surfaces or surface-attached polar groups can induce the formation of thin films of iron oxide5. It would be of great interest, for the design of novel devices such as sensors or catalyst membranes6, to be able to control the growth on surfaces of porous crystals with oriented channels: such channels could, for example, control the access of molecules to the surface of a field-effect transistor in a sensor device. Films and membranes with non-oriented channels have been prepared by depositing or growing zeolite7-12 crystals on metal or metal-oxide supports13-21 in one case21, pre-grown crystals of an aluminophosphate zeolite were oriented by application of an electric field. Here we report the oriented growth of crystals of a zinco-phosphate zeolite on gold surfaces modified with metal phosphonate multilayer films. We attribute the high degree of orientation (>90%) to a strong affinity between the phosphonic acid groups of the phosphate multilayer and the (111) faces of the growing crystals.

  11. 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

  12. 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

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

    PubMed Central

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

    2014-01-01

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

  14. 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

  15. 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

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

    NASA Astrophysics Data System (ADS)

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

    2014-06-01

    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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

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

    PubMed

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

    2015-08-01

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

  2. 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.

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

    PubMed

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

    2009-12-01

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

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

    NASA Astrophysics Data System (ADS)

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

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

  5. 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.

  6. Nanocrystalline nanowires: I. Structure.

    PubMed

    Allen, Philip B

    2007-01-01

    Geometric constructions of possible atomic arrangements are suggested for inorganic nanowires. These are fragments of bulk crystals, and can be called "nanocrystalline" nanowires (NCNW). To minimize surface polarity, nearly one-dimensional formula units, oriented along the growth axis, generate NCNWs by translation and rotation.

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

    NASA Astrophysics Data System (ADS)

    Michal, Carl; Eles, Philip

    2004-05-01

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

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

    PubMed Central

    2014-01-01

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

  9. 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.

  10. 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

  11. Molecular beam epitaxy-grown Bi{sub 4}Te{sub 3} nanowires

    SciTech Connect

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

    2009-12-28

    With Au nanoparticles as the catalyst, the formation of Bi{sub 4}Te{sub 3} nanowires was achieved at an optimized substrate temperature of around 330 deg. C. We found two growth mechanisms for the nanowires: a self-assembled growth mode through islands as the seed and a vapor-solid-solid growth mode through the assistance of Au catalyst nanoparticles, the decisive factor for which was identified as the density of the Au nanoparticles.

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-10-01

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

  15. 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.

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

    NASA Astrophysics Data System (ADS)

    Warner, Mark

    2008-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-09-01

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

  18. From molecular dynamics to fluorescence anisotropy of fluorophores bound to oriented structures

    NASA Astrophysics Data System (ADS)

    Mazzeo, Brian A.; Busath, David D.

    2013-01-01

    Molecular dynamics are often used to analyze and interpret fluorophore motions in relation to observed fluorescence anisotropy measurements. The Soleillet method allows computation of fluorescence anisotropy from molecular dynamics for isotropically oriented fluorophores, but not for oriented fluorophores, such as might be used to study oriented bacterial cultures, oriented, functionalized nanotubes, or oriented, stacked planar bilayers. A numerical approach to distribute molecular dynamics systems appropriately into a larger experimental frame context, allowing prediction of time-resolved and steady-state anisotropies for fluorophores distributed in the crystal-like arrays, is presented. The classical principles of absorption selectivity and motional effects on fluorescence anisotropy for isotropically distributed fluorophores are confirmed. Fluorescence anisotropy for fluorophores distributed on oriented cylinders are predicted to show a rich cylinder-angle dependence.

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

    PubMed Central

    Ackermann, Thomas; Neuhaus, Raphael; Roth, Siegmar

    2016-01-01

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

  20. 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.

  1. 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

  2. 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.

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

    PubMed

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

    2015-11-18

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

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

    PubMed

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

    2015-03-11

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

  5. 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.

  6. Rapid, High-Throughput, and Direct Molecular Beacon Delivery to Human Cancer Cells Using a Nanowire-Incorporated and Pneumatic Pressure-Driven Microdevice.

    PubMed

    Kim, Kyung Hoon; Kim, Jung; Choi, Jong Seob; Bae, Sunwoong; Kwon, Donguk; Park, Inkyu; Kim, Do Hyun; Seo, Tae Seok

    2015-12-01

    Tracking and monitoring the intracellular behavior of mRNA is of paramount importance for understanding real-time gene expression in cell biology. To detect specific mRNA sequences, molecular beacons (MBs) have been widely employed as sensing probes. Although numerous strategies for MB delivery into the target cells have been reported, many issues such as the cytotoxicity of the carriers, dependence on the random probability of MB transfer, and critical cellular damage still need to be overcome. Herein, we have developed a nanowire-incorporated and pneumatic pressure-driven microdevice for rapid, high-throughput, and direct MB delivery to human breast cancer MCF-7 cells to monitor survivin mRNA expression. The proposed microdevice is composed of three layers: a pump-associated glass manifold layer, a monolithic polydimethylsiloxane (PDMS) membrane, and a ZnO nanowire-patterned microchannel layer. The MB is immobilized on the ZnO nanowires by disulfide bonding, and the glass manifold and PDMS membrane serve as a microvalve, so that the cellular attachment and detachment on the MB-coated nanowire array can be manipulated. The combination of the nanowire-mediated MB delivery and the microvalve function enable the transfer of MB into the cells in a controllable way with high cell viability and to detect survivin mRNA expression quantitatively after docetaxel treatment.

  7. 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

    2016-03-21

    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.

  8. 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

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

    DOE PAGES

    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

  10. 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.

  11. High-Resolution and High-Throughput Plasmonic Photopatterning of Complex Molecular Orientations in Liquid Crystals.

    PubMed

    Guo, Yubing; Jiang, Miao; Peng, Chenhui; Sun, Kai; Yaroshchuk, Oleg; Lavrentovich, Oleg; Wei, Qi-Huo

    2016-03-23

    A plasmonic photopatterning technique is proposed and demonstrated for aligning the molecular orientation in liquid crystals (LCs) in patterns with designer complexity. Using plasmonic metamasks in which target molecular directors are encoded, LC alignments of arbitrary planar patterns can be achieved in a repeatable and scalable fashion withunprecedentedly high spatial resolution and high throughput.

  12. 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.

  13. Stokes-Einstein-Debye failure in molecular orientational diffusion: exception or rule?

    PubMed

    Turton, David A; Wynne, Klaas

    2014-05-01

    The Stokes-Einstein-Debye (SED) expression is used routinely to relate orientational molecular diffusivity quantitatively to viscosity. However, it is well-known that Einstein's equations are derived from hydrodynamic theory for the diffusion of a Brownian particle in a homogeneous fluid and examples of SED breakdown and failure for molecular diffusion are not unusual. Here, using optical Kerr-effect spectroscopy to measure orientational diffusion for solutions of guanidine hydrochloride in water and mixtures of carbon disulfide with hexadecane, we show that these two contrasting systems each show pronounced exception to the SED relation and ask if it is reasonable to expect molecular diffusion to be a simple function of viscosity.

  14. Universality and specificity in molecular orientation in anisotropic gels prepared by diffusion method.

    PubMed

    Maki, Yasuyuki; Furusawa, Kazuya; Yasuraoka, Sho; Okamura, Hideki; Hosoya, Natsuki; Sunaga, Mari; Dobashi, Toshiaki; Sugimoto, Yasunobu; Wakabayashi, Katsuzo

    2014-08-01

    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

  15. 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.

  16. A microsphere coupler for a nanowire waveguide plasmonic probe for molecular imaging.

    PubMed

    Heltzel, Alex; Shi, Li; Howell, John R

    2011-01-28

    Highly forward scattering of light by a silica microsphere is predicted by Mie theory. Finite-difference time-domain simulations are used to examine the use of a silica microsphere for coupling light into a ZnO nanowire terminated with a gold nanoparticle (NP) tip, intended for near-field imaging of single molecules immobilized on a gold substrate or gold nanoparticle-labeled cell membranes. The results show that plasmonic coupling at the Au tip is dependent on the incident angle of the excitation. Pre-conditioning the signal with the microsphere amplifies the coupling while reducing background energy levels, significantly boosting the signal-to-noise ratio.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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

  9. 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.

  10. Electron capture from a hydrogen molecule at a fixed orientation of the molecular axis

    NASA Astrophysics Data System (ADS)

    Deb, N. C.; Jain, A.; McGuire, J. H.

    1988-10-01

    Electron capture in fast-proton-H2 collisions has been reexamined in the Brinkman-Kramers approximation. The interference, first noted by T. F. Tuan and E. Gerjuoy [Phys. Rev. 117, 756 (1960)], between two capture amplitudes associated with two centers in the molecule is found to be more pronounced at fixed orientations of the molecular axis as compared to the results obtained by averaging over all orientations. This interference effect varies significantly with the orientations of the molecule. For example, in a certain angular range the number of oscillations in the differential cross sections (DCS) is maximum at θρ=90°, φρ=0°, where θρ and φρ are the polar and azimuthal angles, respectively, of the molecular axis with respect to the incident-beam direction. The number of oscillations of the DCS decreases (i) as impact energy decreases at a fixed value of orientation and (ii) as the orientation changes from the perpendicular position (θρ=90°, φρ=0°) to other orientations for a fixed proton energy. This interference effect has not yet been observed experimentally.

  11. 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

  12. Thermal fluctuations in shape, thickness, and molecular orientation in lipid bilayers

    NASA Astrophysics Data System (ADS)

    Watson, Max C.; Penev, Evgeni S.; Welch, Paul M.; Brown, Frank L. H.

    2011-12-01

    We present a unified continuum-level model for bilayer energetics that includes the effects of bending, compression, lipid orientation (tilting relative to the monolayer surface normal), and microscopic noise (protrusions). Expressions for thermal fluctuation amplitudes of several physical quantities are derived. These predictions are shown to be in good agreement with molecular simulations.

  13. 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

  14. 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.

  15. Phylogeny of Oriental voles (Rodentia: Muridae: Arvicolinae): molecular and morphological evidence.

    PubMed

    Liu, Shaoying; Liu, Yang; Guo, Peng; Sun, Zhiyu; Murphy, Robert W; Fan, Zhenxin; Fu, Jianrong; Zhang, Yaping

    2012-09-01

    The systematics of Oriental voles remains controversial despite numerous previous studies. In this study, we explore the systematics of all species of Oriental voles, except Eothenomys wardi, using a combination of DNA sequences and morphological data. Our molecular phylogeny, based on two mitochondrial genes (COI and cyt b), resolves the Oriental voles as a monophyletic group with strong support. Four distinct lineages are resolved: Eothenomys, Anteliomys, Caryomys, and the new subgenus Ermites. Based on morphology, we consider Caryomys and Eothenomys to be valid genera. Eothenomys, Anteliomys, and Ermites are subgenera of Eothenomys. The molecular phylogeny resolves subgenera Anteliomys and Ermites as sister taxa. Subgenus Eothenomys is sister to the clade Anteliomys + Ermites. Caryomys is the sister group to genus Eothenomys. Further, the subspecies E. custos hintoni and E. chinensis tarquinius do not cluster with E. custos custos and E. chinensis chinensis, respectively, and the former two taxa are elevated to species level and assigned to the new subgenus Ermites.

  16. Effect of Molecular Orientation, on Photovoltaic Efficiency and Carrier Transport, in a New Semiconducting Polymer

    NASA Astrophysics Data System (ADS)

    Kažukauskas, V.; Pranaitis, M.; Sentein, C.; Rocha, L.; Raimond, P.; Duyssens, I.; van, I.; Severen; Lutsen, L.; Cleij, T.; Vanderzande, D.

    2008-03-01

    New functionalized soluble poly(p-phenylene vinylene) derivative bearing polar molecules was designed and synthesized in order to investigate effects of molecular orientation in polymer photovoltaic devices. The active polar molecule is the 4-(N-butyl-N-2-hydroxyethyl)-1- nitro-benzene group. The grafting of the push-pull molecule with a donor/transmitter/acceptor structure, possessing a large ground state dipole moment, enables the molecular orientation by a dc electric field. An internal electric field stored in such system facilitates exciton dissociation and improves charge transport in single-layer devices. In our systems an increase in the external quantum efficiency by a factor of about 1.5 to 2 is estimated. The associated effects of orientation on the carrier injection and transport properties were evidenced.

  17. Orientation of molecular groups of fibers in nonoriented samples determined by polarized ATR-FTIR spectroscopy.

    PubMed

    Belbachir, Karima; Lecomte, Sophie; Ta, Ha-Phuong; Petibois, Cyril; Desbat, Bernard

    2011-12-01

    A method based on polarized attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy is proposed for determining the infrared dichroic absorption ratio of a single fiber from a sample deposited flat on a germanium crystal without the requirement of fiber orientation. The method shows its efficiency on cellulose fibers of paper and has been applied to protein fibers (type I collagen and β-amyloid) and polysaccharide fibers (cellulose and starch). The method gives access to the dichroic ratio of strong absorptions bands, which is not easily accessible with conventional absorption techniques. Then, the orientation of the molecular groups of organic fibers can be easily determined by polarized ATR-FTIR spectroscopy. By extension, this method will be useful to determine the molecular orientation of fibers in structured complex samples, such as biological tissues and plants. Spatially resolved information on the organization of the fiber network will be easily extracted by utilizing a focal plane array detector for imaging measurements.

  18. 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.

  19. Effects of High Molecular Weight Species on Shear-Induced Orientation and Crystallization of Isotactic Polypropylene

    SciTech Connect

    Somani,R.; Yang, L.; Hsiao, B.

    2006-01-01

    In situ rheo-SAXS (small-angle X-ray scattering) and rheo-WAXD (wide-angle X-ray diffraction) techniques were used to investigate the role of high molecular weight species on the evolution of oriented microstructure in isotactic polypropylene (iPP) melt under shear flow. The two iPP samples, designated as PP-A and PP-B, respectively, had the same number-average (M{sub n}) but different weight-average (M{sub w}) and Z-average (M{sub z}) molecular weights. Molecular weight distribution (MWD) of PP-A and PP-B was such that for MW<10{sup 5} the MWD curves overlapped; whereas in the high MW tail region, the amount of high molecular weight species was higher in PP-B than PP-A. Both samples were subjected to an identical shear condition (rate=60 s{sup -1}, duration=5 s, T=155 degC). In situ 2D SAXS and WAXD images allowed the tracking of shear-induced oriented structures in the melt. It was found that the shish structures evolved much earlier, and the degree of crystal orientation and oriented crystal fractions were higher in PP-B than PP-A. Moreover, PP-B exhibited faster crystallization kinetics than PP-A. These results, along with the predictions of double reptation models of chain motion and experimental studies of chain conformation dynamics in dilute solutions under flow, suggest the following: When a polymer melt that consists of entangled chains of different lengths is deformed, the chain segments aligned with the flow eigenvector can undergo the abrupt coil-stretch-like transition, while other segments would remain in the coiled state. Since, flow-induced orientation decays much more slowly for long chains than for short chains, oriented high molecular weight species play a prominent role in formation of the stretched sections, where shish originates. Our experimental results are strong evidence of the hypothesis that even a small increase in the concentration of high molecular weight species causes a significant increase in the formation, stability and

  20. 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.

  1. 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.

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

    PubMed

    Kim, Yu Jin; Park, Chan Eon

    2016-04-14

    In bulk heterojunction (BHJ) organic photovoltaics, particularly those using small molecules, electron donor and/or electron acceptor materials form a distributed network in the photoactive layer where critical photo-physical processes occur. Extensive research has recently focused on the importance of sulfur atoms in the small molecules. Little is known about the three-dimensional orientation of these sulfur atom-containing molecules. Herein, we report on our research concerning the heterojunction textures of the crystalline molecular orientation of small compounds having sulfur-containing units in the side chains, specifically, compounds known as DR3TSBDT that contain the alkylthio group and DR3TBDTT that does not. The improved performance of the DR3TBDTT-based devices, particularly in the photocurrent and the fill factor, was attributed to the large population of donor compound crystallites with a favorable face-on orientation along the perpendicular direction. This orientation resulted in efficient charge transport and a reduction in charge recombination. These findings underscore the great potential of small-molecule solar cells and suggest that even higher efficiencies can be achieved through materials development and molecular orientation control.

  3. Ordering Ag nanowire arrays by spontaneous spreading of volatile droplet on solid surface

    PubMed Central

    Dai, Han; Ding, Ruiqiang; Li, Meicheng; Huang, Jinjer; Li, Yingfeng; Trevor, Mwenya

    2014-01-01

    Large-area Ag nanowires are ordered by spontaneous spreading of volatile droplet on a wettable solid surface. Compared with other nanowires orientation methods, radial shaped oriented Ag nanowires in a large ring region are obtained in an extremely short time. Furthermore, the radial shaped oriented Ag nanowires are transferred and aligned into one direction. Based on the hydrodynamics, the coactions among the microfluid, gravity effect and the adhesion of substrate on the orientation of the Ag nanowires are clearly revealed. This spreading method opens an efficient way for extreme economic, efficient and “green” way for commercial producing ordered nanowire arrays. PMID:25339118

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

    PubMed Central

    Wood, Sebastian; Rigas, Grigorios-Panagiotis; Zoladek-Lemanczyk, Alina; Blakesley, James C.; Georgakopoulos, Stamatis; Mas-Torrent, Marta; Shkunov, Maxim; Castro, Fernando A.

    2016-01-01

    Charge transport in organic semiconductors is strongly dependent on the molecular orientation and packing, such that manipulation of this molecular packing is a proven technique for enhancing the charge mobility in organic transistors. However, quantitative measurements of molecular orientation in micrometre-scale structures are experimentally challenging. Several research groups have suggested polarised Raman spectroscopy as a suitable technique for these measurements and have been able to partially characterise molecular orientations using one or two orientation parameters. Here we demonstrate a new approach that allows quantitative measurements of molecular orientations in terms of three parameters, offering the complete characterisation of a three-dimensional orientation. We apply this new method to organic semiconductor molecules in a single crystal field-effect transistor in order to correlate the measured orientation with charge carrier mobility measurements. This approach offers the opportunity for micrometre resolution (diffraction limited) spatial mapping of molecular orientation using bench-top apparatus, enabling a rational approach towards controlling this orientation to achieve optimum device performance. PMID:27619423

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

    NASA Astrophysics Data System (ADS)

    Wood, Sebastian; Rigas, Grigorios-Panagiotis; Zoladek-Lemanczyk, Alina; Blakesley, James C.; Georgakopoulos, Stamatis; Mas-Torrent, Marta; Shkunov, Maxim; Castro, Fernando A.

    2016-09-01

    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.

  6. 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

    2016-09-13

    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.

  7. 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

  8. Electrospinning of superconducting YBCO nanowires

    NASA Astrophysics Data System (ADS)

    Duarte, Edgar A.; Rudawski, Nicholas G.; Quintero, Pedro A.; Meisel, Mark W.; Nino, Juan C.

    2015-01-01

    YBa2Cu3O7-δ (YBCO) nanowires with critical transition temperature Tc = 91.7 K were synthesized by an electrospinning process with the use of sol-gel precursors. A homogeneous polymeric solution containing Y, Ba, and Cu acetates was electrospun, resulting in collections of randomly oriented nanowires as well as bundles of aligned nanowires. Fully crystallized YBCO nanowires were obtained after calcination at temperatures as low as 820 °C. The morphology, microstructure, and crystal structure were investigated, and the diameters of the polycrystalline nanowires varied between 120 and 550 nm depending on the viscosity of the precursors. Thinner individual wires, with diameters in the 50-80 nm range, were synthesized with a single grain structure across the entire wire cross-section.

  9. The Effect of Molecular Orientation to Solid-Solid and Melting Transitions

    NASA Astrophysics Data System (ADS)

    Yazici, Mustafa; Özgan, Şükrü

    The thermodynamics of solid-solid and solid-liquid transitions are investigated with an account of the number of molecular orientation. The variations of the positional and orientational orders with the reduced temperature are studied. It is found out that orientational order parameter is very sensitive to the number of allowed orientation. The reduced transition temperatures, volume changes and entropy changes of the phase transitions and theoretical phase diagrams are obtained. The entropy changes of melting transitions for different numbers of allowed orientation of the present model are compared with the theoretical results and some experimental data. The quantitative predictions of the model are compared with experimental results for plastic crystals and agreement between predictions of the model and the experimental results are approximately good. Also, different numbers of allowed orientation D correspond to different experimental results HI, HBr, H2S for D = 2; HBr, CCl4, HI for D = 4; C2H12 for D = 6; CH4, PH3 for D = 20.

  10. Molecular-Orientation-Induced Rapid Roughening and Morphology Transition in Organic Semiconductor Thin-Film Growth

    NASA Astrophysics Data System (ADS)

    Yang, Junliang; Yim, Sanggyu; Jones, Tim S.

    2015-03-01

    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.

  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. Copper phthalocyanine on hydrogenated and bare diamond (001)-2 x 1: influence of interfacial interactions on molecular orientations.

    PubMed

    Qi, Dongchen; Sun, Jiatao; Gao, Xingyu; Wang, Li; Chen, Shi; Loh, Kian Ping; Wee, Andrew T S

    2010-01-01

    The molecular orientations of copper phthalocyanine (CuPc) organic semiconductor molecules on hydrogenated and bare diamond (001)-2 x 1 surfaces are studied using synchrotron-based photoemission spectroscopy (PES) and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Angular-dependent NEXAFS reveals that the CuPc molecular assemblies are orientationally ordered and lying down on hydrogenated diamond, whereas they undergo a molecular reorientation on bare diamond from lying down at submonolayer coverage to standing up in multilayers. The molecular film on bare diamond also exhibits an order-disorder-order transition in the molecular orientations. The distinct molecular orientation within the CuPc films on both diamond (001) surfaces is explained in terms of the interplay between intermolecular interactions and molecule-substrate interactions.

  13. 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.

  14. 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.

  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. 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.

  17. Control of colloidal placement by modulated molecular orientation in nematic cells

    PubMed Central

    Peng, Chenhui; Turiv, Taras; Guo, Yubing; Shiyanovskii, Sergij V.; Wei, Qi-Huo; Lavrentovich, Oleg D.

    2016-01-01

    Colloids self-assemble into various organized superstructures determined by particle interactions. There is tremendous progress in both the scientific understanding and the applications of self-assemblies of single-type identical particles. Forming superstructures in which the colloidal particles occupy predesigned sites and remain in these sites despite thermal fluctuations represents a major challenge of the current state of the art. We propose a versatile approach to directing placement of colloids using nematic liquid crystals with spatially varying molecular orientation preimposed by substrate photoalignment. Colloidal particles in a nematic environment are subject to the long-range elastic forces originating in the orientational order of the nematic. Gradients of the orientational order create an elastic energy landscape that drives the colloids into locations with preferred type of deformations. As an example, we demonstrate that colloidal spheres with perpendicular surface anchoring are driven into the regions of maximum splay, whereas spheres with tangential surface anchoring settle into the regions of bend. Elastic forces responsible for preferential placement are measured by exploring overdamped dynamics of the colloids. Control of colloidal self-assembly through patterned molecular orientation opens new opportunities for designing materials and devices in which particles should be placed in predesigned locations.

  18. Control of colloidal placement by modulated molecular orientation in nematic cells

    PubMed Central

    Peng, Chenhui; Turiv, Taras; Guo, Yubing; Shiyanovskii, Sergij V.; Wei, Qi-Huo; Lavrentovich, Oleg D.

    2016-01-01

    Colloids self-assemble into various organized superstructures determined by particle interactions. There is tremendous progress in both the scientific understanding and the applications of self-assemblies of single-type identical particles. Forming superstructures in which the colloidal particles occupy predesigned sites and remain in these sites despite thermal fluctuations represents a major challenge of the current state of the art. We propose a versatile approach to directing placement of colloids using nematic liquid crystals with spatially varying molecular orientation preimposed by substrate photoalignment. Colloidal particles in a nematic environment are subject to the long-range elastic forces originating in the orientational order of the nematic. Gradients of the orientational order create an elastic energy landscape that drives the colloids into locations with preferred type of deformations. As an example, we demonstrate that colloidal spheres with perpendicular surface anchoring are driven into the regions of maximum splay, whereas spheres with tangential surface anchoring settle into the regions of bend. Elastic forces responsible for preferential placement are measured by exploring overdamped dynamics of the colloids. Control of colloidal self-assembly through patterned molecular orientation opens new opportunities for designing materials and devices in which particles should be placed in predesigned locations. PMID:27652343

  19. Control of colloidal placement by modulated molecular orientation in nematic cells.

    PubMed

    Peng, Chenhui; Turiv, Taras; Guo, Yubing; Shiyanovskii, Sergij V; Wei, Qi-Huo; Lavrentovich, Oleg D

    2016-09-01

    Colloids self-assemble into various organized superstructures determined by particle interactions. There is tremendous progress in both the scientific understanding and the applications of self-assemblies of single-type identical particles. Forming superstructures in which the colloidal particles occupy predesigned sites and remain in these sites despite thermal fluctuations represents a major challenge of the current state of the art. We propose a versatile approach to directing placement of colloids using nematic liquid crystals with spatially varying molecular orientation preimposed by substrate photoalignment. Colloidal particles in a nematic environment are subject to the long-range elastic forces originating in the orientational order of the nematic. Gradients of the orientational order create an elastic energy landscape that drives the colloids into locations with preferred type of deformations. As an example, we demonstrate that colloidal spheres with perpendicular surface anchoring are driven into the regions of maximum splay, whereas spheres with tangential surface anchoring settle into the regions of bend. Elastic forces responsible for preferential placement are measured by exploring overdamped dynamics of the colloids. Control of colloidal self-assembly through patterned molecular orientation opens new opportunities for designing materials and devices in which particles should be placed in predesigned locations. PMID:27652343

  20. Quantum control of molecular orientation by two-color laser fields.

    PubMed

    Ohmura, Hideki; Nakanaga, Taisuke

    2004-03-15

    We demonstrate molecular orientation by using phase-controlled two-color omega+2omega laser pulses with an intensity of 1.0x10(12) W/cm(2) and a pulse duration of 130 fs. The orientation of three iodine-containing molecules (IBr, CH(3)I, and C(3)H(5)I) was monitored by the directional asymmetries of the photofragment angular distribution in dissociative ionization. In all three molecules, the directional asymmetry showed an oscillating behavior dependent on the relative phase difference between omega and 2omega pulses. The phase dependence of the directional asymmetry observed in iodine ions and counterpart ions were out of phase with each other. This result shows that a phase-controlled omega+2omega optical field discriminates between parallel and antiparallel configurations of aligned molecules that have a permanent dipole. This method performed well because (1) molecular orientation can be achieved by all-optical fields; (2) the direction of orientation is easily switched by changing the sign of the quantum interference; and (3) this method is free from any resonance constraint and thus can be applied to any molecule.

  1. 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.

  2. 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.

  3. Manipulating aggregation and molecular orientation in all-polymer photovoltaic cells.

    PubMed

    Ye, Long; Jiao, Xuechen; Zhou, Meng; Zhang, Shaoqing; Yao, Huifeng; Zhao, Wenchao; Xia, Andong; Ade, Harald; Hou, Jianhui

    2015-10-21

    Manipulating molecular orientation at the donor/acceptor interface is the key to boosting charge separation properties and efficiencies of anisotropic-materials-based organic photovoltaics (OPVs). By replacing the polymeric donor PBDTBDD with its 2D-conjugated polymer PBDTBDD-T, the power conversion efficiency of OPVs featuring the anisotropic polymer acceptor PNDI is drastically boosted from 2.4% up to 5.8%.

  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. 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.

  6. 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.

  7. 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

  8. 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}.

  9. 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.

  10. 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.

  11. 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.

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

    DOE PAGES

    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

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

    DOE PAGES

    Ostadhossein, Alireza; Cubuk, Ekin D.; Tritsaris, Georgios A.; 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

  14. 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.

  15. 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.

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

    DOEpatents

    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.

  17. Molecular Orientation Analysis of Alkyl Methylene Groups from Quantitative Coherent Anti-Stokes Raman Scattering Spectroscopy.

    PubMed

    Zhang, Chi; Wang, Jie; Jasensky, Joshua; Chen, Zhan

    2015-04-16

    Quantitative data analysis in coherent anti-Stokes Raman scattering (CARS) spectroscopy is important for extracting molecular structural information. We developed a method to derive molecular tilt angle with respect to the surface normal based on quantitative CARS spectral analysis. We showed that the tilt angle of methylene alkyl chains on a surface can be directly obtained from the CH2 symmetric/asymmetric peak ratio in a CARS spectrum. The lipid alkyl chain tilt angle from a lipid monolayer was measured to be ∼0° and was verified by sum frequency generation spectroscopy, which probes the orientations of the lipid methyl end groups. The tilt angle of a silane monolayer alkyl chain was derived to be ∼35°, which agrees with the theoretical prediction. This method is submonolayer sensitive and can also be used to interpret polarization-dependent signals in CARS microscopy. It can be applied to elucidate detailed molecular structure from CARS spectroscopic and microscopic measurements.

  18. 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.

  19. 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.

  20. 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

  1. Tunable Molecular Orientation of Organic Semiconductors in Vapor-Deposited Amorphous Solids

    NASA Astrophysics Data System (ADS)

    Walters, Diane; Dalal, Shakeel; Ediger, Mark

    2014-03-01

    Amorphous solids made by physical vapor deposition (PVD) of organic molecules have found increasing use in organic LEDs and photovoltaics. PVD is favored because it allows precise control of layer thickness and high material purity, however the impact of deposition conditions on the structure of amorphous solids has been largely uninvestigated. We have previously shown that solid films prepared by PVD can have drastically higher densities, moduli and thermal stability than are obtainable by cooling the liquid. Using a high-throughput characterization technique, we show that PVD is also able to impart significant molecular orientation into amorphous solids. We present work on several common molecules used in organic semiconducting devices including AlQ3, NPB, TPD, CBP, DSA-Ph, and BSB-Cz. The molecular orientation depends systematically on the substrate temperature during deposition. At low temperatures there is a strong tendency to lie parallel to the substrate, while at higher temperatures there is a tendency to stand vertically on end. It is anticipated, and in some limited cases has been previously shown, that this orientation can significantly affect charge mobility and light out-coupling efficiency in devices.

  2. Polarization-Dependent Measurements of Molecular Super Rotors with Oriented Angular Momenta

    NASA Astrophysics Data System (ADS)

    Murray, Matthew J.; Toro, Carlos; Liu, Qingnan; Mullin, Amy S.

    2014-05-01

    Controlling molecular motion would enable manipulation of energy flow between molecules. Here we have used an optical centrifuge to investigate energy transfer between molecular super rotors with oriented angular momenta. The polarizable electron cloud of the molecules interacts with the electric field of linearly polarized light that angularly accelerates over the time of the optical pulse. This process drives molecules into high angular momentum states that are oriented with the optical field and have energies far from equilibrium. High resolution transient IR spectroscopy reveals the dynamics of collisional energy transfer for these super excited rotors. The results of this study leads to a more fundamental understanding of energy balance in non-equilibrium environments and the physical and chemical properties of gases in a new regime of energy states. Results will be presented for several super rotor species including carbon monoxide, carbon dioxide, and acetylene. Polarization-dependent measurements reveal the extent to which the super rotors maintain spatial orientation of high angular momentum states.

  3. Orientation Control of Molecular Chains in Polymers Using Atomic Force Microscopy

    NASA Astrophysics Data System (ADS)

    Kimura, Kuniko; Kobayashi, Kei; Yamada, Hirofumi; Horiuchi, Toshihisa; Ishida, Kenji; Matsushige, Kazumi

    2004-07-01

    We successfully controlled the molecular orientation of flat-on lamellar crystals of the ferroelectric copolymer, vinylidenefluoride and trifluoroethylene (P(VDF-TrFE)), on Pt and Au surfaces utilizing atomic force microscopy (AFM). The orientation was controlled by scanning a cantilever tip in contact with the film surface whose temperature was kept at just below its melting point (Tm). The molecules were stretched in the scan direction and new edge-on crystals were subsequently formed, whose lamellar planes were perpendicular to the scan direction. We also attempted to modify an isotactic poly-1-butene (IPB) thin film and a polyaniline emeraldine base (PANI-EB) thin film utilizing AFM. In the case of IPB film, structures similar to edge-on crystals of P(VDF-TrFE) were obtained when modified with the film temperature kept at just below its Tm. The result strongly suggests that this orientation control technique is also applicable to IPB. On the other hand, in the case of PANI-EB film, we could obtain many ellipsoidal grains in the scanned area. One possible mechanism is that PANI-EB molecular chains were stretched parallel to the modification scan to form fibrils or bundles.

  4. Molecular orientation transition of organic thin films on graphite: the effect of intermolecular electrostatic and interfacial dispersion forces.

    PubMed

    Chen, Wei; Huang, Han; Thye, Andrew; Wee, Shen

    2008-09-28

    In situ low-temperature scanning tunnelling microscopy investigation reveals a molecular orientation transition of organic thin films of pentacene and p-sexiphenyl on graphite, arising from the delicate balance between the intermolecular electrostatic and interfacial dispersion forces.

  5. Tuning the growth mode of nanowires via the interaction among seeds, substrates and beam fluxes

    NASA Astrophysics Data System (ADS)

    Zannier, Valentina; Grillo, Vincenzo; Martelli, Faustino; Plaisier, Jasper Rikkert; Lausi, Andrea; Rubini, Silvia

    2014-06-01

    The growth mechanism of semiconductor nanowires is still an argument of high interest, and it is becoming clearer, investigation after investigation, that simple pictures fail to describe the complex behaviors observed under different growth conditions. We report here on the growth of semiconductor nanowires, maintaining control over the chemical composition and the physical state of the metallic seeds, and tuning the growth mechanism by varying the growth conditions. We focused on Au-assisted ZnSe nanowires grown by molecular beam epitaxy on GaAs(111)B substrates. We show that at sufficiently high temperatures, the Au seed is strongly affected by the interaction with the substrate and that nanowire growth can occur through two different mechanisms, which have a strong impact on the nanowire's morphology and crystal quality. In particular, ZnSe NWs may exhibit either a uniformly oriented, straight morphology when the nanoparticle seed is liquid, or a kinked, worm-like shape when the nanoparticle seed is switched to a solid phase. This switch, which tunes the nanowire growth mechanism, is achieved by controlling the Zn-to-Se beam pressure ratio at the Au-seed surface. Our results allow a deeper understanding of particle-assisted nanowire growth, and an accurate control of nanowire morphology via the control of the growth mechanism.The growth mechanism of semiconductor nanowires is still an argument of high interest, and it is becoming clearer, investigation after investigation, that simple pictures fail to describe the complex behaviors observed under different growth conditions. We report here on the growth of semiconductor nanowires, maintaining control over the chemical composition and the physical state of the metallic seeds, and tuning the growth mechanism by varying the growth conditions. We focused on Au-assisted ZnSe nanowires grown by molecular beam epitaxy on GaAs(111)B substrates. We show that at sufficiently high temperatures, the Au seed is strongly

  6. 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

  7. Terahertz sensing using ferroelectric nanowires.

    PubMed

    Herchig, R; Schultz, Kimberly; McCash, Kevin; Ponomareva, I

    2013-02-01

    Molecular dynamics simulations are used to study the interaction of ferroelectric nanowires with terahertz (THz) Gaussian-shaped pulses of electric field. The computational data indicate the existence of two interaction scenarios that are associated with 'lossless' and dissipative, or 'lossy', interaction mechanisms. A thermodynamical approach is used to analyze the computational data for a wide range of THz pulses. The analysis establishes the foundation for understanding the nanowires' response to the THz pulses and reveals the potential of ferroelectric nanowires to function as nanoscale sensors of THz radiation. Various aspects of this THz nanosensing are analyzed and discussed.

  8. Molecular Orientation of Alkyldicyanoquinonediimine and Alkyldicyanoquinonediimine-Cu Langmuir-Blodgett Films: Rod-Lozenge Model

    NASA Astrophysics Data System (ADS)

    Ikegami, Keiichi

    2001-08-01

    A simple rod-lozenge model was proposed as the first step for discussing the relationship between the orientation of the alkyl-chain part and that of the N,N\\prime-dicyanoquinonediimine (DCNQI) part of Langmuir-Blodgett (LB) films of alkylDCNQI and alkylDCNQI-Cu, which had recently been fabricated and characterized by polarized IR spectroscopy. Taking into account the reported out-of-plane order parameters of individual molecular axes, this model could depict the structures of those LB films.

  9. Molecular flexibility and orientational statistics of liquid crystals: Raman study of 7-CB and 8-OCB

    NASA Astrophysics Data System (ADS)

    Prasad, S. N.; Venugopalan, S.

    1981-09-01

    The Raman depolarization ratios of the -C≡N vibrational band of 7-CB and 8-OCB have been measured in the aligned liquid crystal and isotropic phases. The temperature dependence of the absolute orientational order parameters and have been evaluated for the mesophases of both compounds. A comparison of their values in the nematic phase with those determined by Miyano for 5-CB suggests that molecular flexibility is an importnant factor that serves to lower well below the predictions of mean field theories.

  10. MBE growth of self-assisted InAs nanowires on graphene

    NASA Astrophysics Data System (ADS)

    Kang, Jung-Hyun; Ronen, Yuval; Cohen, Yonatan; Convertino, Domenica; Rossi, Antonio; Coletti, Camilla; Heun, Stefan; Sorba, Lucia; Kacman, Perla; Shtrikman, Hadas

    2016-11-01

    Self-assisted growth of InAs nanowires on graphene by molecular beam epitaxy is reported. Nanowires with diameter of ∼50 nm and aspect ratio of up to 100 were achieved. The morphological and structural properties of the nanowires were carefully studied by changing the substrate from bilayer graphene through buffer layer to quasi-free-standing monolayer graphene. The positional relation of the InAs NWs with the graphene substrate was determined. A 30° orientation configuration of some of the InAs NWs is shown to be related to the surface corrugation of the graphene substrate. InAs NW-based devices for transport measurements were fabricated, and the conductance measurements showed a semi-ballistic behavior. In Josephson junction measurements in the non-linear regime, multiple Andreev reflections were observed, and an inelastic scattering length of about 900 nm was derived.

  11. Sub-Cellular Resolution Delivery of a Cytokine via Precisely Manipulated Nanowires

    PubMed Central

    Fan, Donglei; Yin, Zhizhong; Cheong, Raymond; Zhu, Frank Q.; Cammarata, Robert C.; Chien, C.L.; Levchenko, Andre

    2010-01-01

    Precise delivery of molecular doses of biologically active chemicals to a pre-specified single cell among many, or a specific sub-cellular location, is still a largely unmet challenge hampering our understanding of cell biology. Overcoming this could allow unprecedented levels of cell manipulation and targeted intervention. Here, we show that gold nanowires conjugated with cytokine, such as tumour necrosis factor-alpha (TNFα), can be transported along any prescribed trajectory or orientation using electrophoretic and dielectrophoretic forces to a specific location with subcellular resolution. The nanowire, 6 μm long and 300 nm in diameter, delivered the cytokine and activated canonical nuclear factor-kappaB signaling in a single cell. Combined computational modeling and experimentation indicated that cell stimulation was highly localized to the nanowire vicinity. This targeted delivery method has profound implications for controlling signaling events on the single cell level. PMID:20543835

  12. 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.

  13. 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.

  14. 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.

  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. A molecular biology-based approach to resolve the subunit orientation of lipoprotein lipase

    PubMed Central

    Wong, Howard; Yang, Dawn; Hill, John S.; Davis, Richard C.; Nikazy, Judith; Schotz, Michael C.

    1997-01-01

    The subunit orientation of a dimeric enzyme influences the mechanism of action and function. To determine the subunit arrangement of lipoprotein lipase (LPL), a molecular biology-based approach was initiated. An eight amino acid linker region was engineered between two LPL monomers and expressed in COS-7 cells. The resultant tandem-repeat molecule (LPLTR) was lipolytically active and had kinetic parameters, salt inhibition, cofactor-dependent activity, heparin-binding characteristics, and a functional unit size very similar to the expressed native human enzyme. By these criteria, LPLTR was the functional equivalent of native LPL. Considering the length of the linker peptide (no more than 24 Å), monomers in the tethered molecule were restricted to a head-to-tail subunit arrangement. Since LPLTR demonstrated native enzyme-like properties while constrained to this subunit arrangement, these results provide the first compelling evidence that native LPL monomers are arranged in a head-to-tail subunit orientation within the active dimer. Thus, LPL function in physiology, lipolysis, and binding to cell-surface components must now be addressed with this subunit orientation in mind. The utility of the tandem-repeat approach to resolve the subunit arrangement of an obligate dimer has been demonstrated with LPL and could be generalized for use with other oligomeric enzymes. PMID:9159117

  17. Light-dependent magnetic compass orientation in amphibians and insects: candidate receptors and candidate molecular mechanisms

    PubMed Central

    Phillips, John B.; Jorge, Paulo E.; Muheim, Rachel

    2010-01-01

    Magnetic compass orientation by amphibians, and some insects, is mediated by a light-dependent magnetoreception mechanism. Cryptochrome photopigments, best known for their role in circadian rhythms, are proposed to mediate such responses. In this paper, we explore light-dependent properties of magnetic sensing at three levels: (i) behavioural (wavelength-dependent effects of light on magnetic compass orientation), (ii) physiological (photoreceptors/photopigment systems with properties suggesting a role in magnetoreception), and (iii) molecular (cryptochrome-based and non-cryptochrome-based signalling pathways that are compatible with behavioural responses). Our goal is to identify photoreceptors and signalling pathways that are likely to play a specialized role in magnetoreception in order to definitively answer the question of whether the effects of light on magnetic compass orientation are mediated by a light-dependent magnetoreception mechanism, or instead are due to input from a non-light-dependent (e.g. magnetite-based) magnetoreception mechanism that secondarily interacts with other light-dependent processes. PMID:20124357

  18. 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

  19. Temperature dependence of molecular orientation on the surfaces of semifluorinated polymer thin films

    SciTech Connect

    Genzer, J.; Sivaniah, E.; Kramer, E.J.

    2000-02-22

    Near-edge X-ray absorption fine structure is used to investigate the temperature dependence of molecular orientation of semifluorinated liquid crystalline (SF-LC) mesogens, which are attached to the modified isoprene backbone of (1) a poly(1,2-isoprene) homopolymer and (2) a diblock copolymer consisting of polystyrene and poly(1,2-isoprene) blocks. These experiments reveal the existence of two temperature regions in which the surface orientation of the SF-LC mesogens changes abruptly, but even 30 K above the highest such temperature region the surface orientation does not become isotropic. The lower temperature surface transition for both homopolymer and block copolymer occurs close to the temperature of the bulk homopolymer smectic-B to smectic-A transition and well above the bulk smectic-B to smectic-A transition in the block copolymer. It seems to be controlled exclusively by the ordering phenomena originating from the surface. In contrast, the change in the surface organization of the SF-LC mesogens at higher temperatures can be associated with bulk LC transition from the smectic-A to the isotropic phase.

  20. 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.

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

    PubMed

    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.

  2. 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.

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

    PubMed

    Kanungo, Pratyushdas; Kögler, Reinhard; Werner, Peter; Gösele, Ulrich; Skorupa, Wolfgang

    2009-11-08

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

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

    PubMed Central

    2010-01-01

    We demonstrate a novel method to fabricate an axial p–n junction inside <111> oriented short vertical silicon nanowires grown by molecular beam epitaxy by combining ion implantation with in-situ doping. The lower halves of the nanowires were doped in-situ with boron (concentration ~1018cm−3), while the upper halves were doubly implanted with phosphorus to yield a uniform concentration of 2 × 1019 cm−3. Electrical measurements of individually contacted nanowires showed excellent diode characteristics and ideality factors close to 2. We think that this value of ideality factors arises out of a high rate of carrier recombination through surface states in the native oxide covering the nanowires. PMID:20651924

  5. Chemical beam epitaxy growth of III-V semiconductor nanowires

    NASA Astrophysics Data System (ADS)

    Mohummed Noori, Farah T.

    2013-12-01

    Indium- Arsenide (InAs) nanowires were grown in a high vacuum chemical beam epitaxy (CBE) unit on InAs(111) wafers substrates at 425-454°C. Two types of nanogold were used as orientation catalyst, 40nm and 80nm. The measurements were performed using scanning electron microscopy showed that uniform nanowires. The nanowires orient vertically in the InAs nanowire scanning electron microscopy of an array 80nm diameter InAs nanowire with length is in the range 0.5-1 μm and of an array 40nm diameter with length is in the range 0.3-0.7μm. The nanowire length with growth time shows that the linear increase of nanowires start to grow as soon as TMIn is available. The growth rate with temperature was studied.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

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

    PubMed Central

    Grudzinski, Wojciech; Sagan, Joanna; Welc, Renata; Luchowski, Rafal; Gruszecki, Wieslaw I.

    2016-01-01

    Amphotericin B is a popular antifungal antibiotic, a gold standard in treatment of systemic mycotic infections, due to its high effectiveness. On the other hand, applicability of the drug is limited by its considerable toxicity to patients. Biomembranes are a primary target of physiological activity of amphotericin B and both the pharmacologically desired and toxic side effects of the drug relay on its molecular organization in the lipid phase. In the present work, molecular organization, localization and orientation of amphotericin B, in a single lipid bilayer system, was analysed simultaneously, thanks to application of a confocal fluorescence lifetime imaging microscopy of giant unilamellar vesicles. The results show that the presence of sterols, in the lipid phase, promotes formation of supramolecular structures of amphotericin B and their penetration into the membrane hydrophobic core. The fact that such an effect is substantially less pronounced in the case of cholesterol than ergosterol, the sterol of fungal membranes, provides molecular insight into the selectivity of the drug. PMID:27620838

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Molecular orientation of copper phthalocyanine thin films on different monolayers of fullerene on SiO2 or highly oriented pyrolytic graphite

    NASA Astrophysics Data System (ADS)

    Wang, Chenggong; Liu, Xiaoliang; Wang, Congcong; Xu, Xumei; Li, Youzhen; Xie, Fangyan; Gao, Yongli

    2015-03-01

    The interface electronic structures of copper phthalocyanine (CuPc) have been studied using ultraviolet photoemission spectroscopy as different monolayers of C60 were inserted between CuPc and a SiO2 or highly ordered pyrolytic graphite (HOPG) substrate. The results show that CuPc has standing up configuration with one monolayer of C60 insertion on SiO2 while lying down on HOPG, indicating that the insertion layer propagates the CuPc-substrate interaction. Meanwhile, CuPc on more than one monolayers of C60 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.

  20. 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

  1. 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

  2. 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.

  3. Strong exciton-photon coupling in organic single crystal microcavity with high molecular orientation

    NASA Astrophysics Data System (ADS)

    Goto, Kaname; Yamashita, Kenichi; Yanagi, Hisao; Yamao, Takeshi; Hotta, Shu

    2016-08-01

    Strong exciton-photon coupling has been observed in a highly oriented organic single crystal microcavity. This microcavity consists of a thiophene/phenylene co-oligomer (TPCO) single crystal laminated on a high-reflection distributed Bragg reflector. In the TPCO crystal, molecular transition dipole was strongly polarized along a certain horizontal directions with respect to the main crystal plane. This dipole polarization causes significantly large anisotropies in the exciton transition and optical constants. Especially the anisotropic exciton transition was found to provide the strong enhancement in the coupling with the cavity mode, which was demonstrated by a Rabi splitting energy as large as ˜100 meV even in the "half-vertical cavity surface emitting lasing" microcavity structure.

  4. Molecular parameters and olfaction in the oriental fruit fly Dacus dorsalis

    PubMed Central

    Metcalf, Robert L.; Metcalf, Esther R.; Mitchell, W. C.

    1981-01-01

    The methyl eugenol receptor of the male oriental fruit fly (Dacus dorsalis) has been further characterized by evaluating the role of the linear free energy parameters ∏ and σ in the depolarization of the receptor by 37 substituted 3,4-dimethoxybenzenes. There was a strong positive correlation between the hydrophobic character of the primary substituent and intense odor and a positive correlation between the electron donating property of the primary substituent and intense odor. Maximum odor intensity was also associated with substituents of 3 atomic diameters and was improved by a center of unsaturation. Preference tests suggest that this simple and versatile odor receptor can serve as a model for investigation of molecular interactions between receptors and odorant molecules. PMID:16593048

  5. 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.

  6. 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

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

    PubMed

    Kuyanov, P; LaPierre, R R

    2015-08-01

    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.

  8. Absence of vapor-liquid-solid growth during molecular beam epitaxy of self-induced InAs nanowires on Si

    NASA Astrophysics Data System (ADS)

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

    2011-03-01

    The growth mechanism of self-induced InAs nanowires (NWs) grown on Si (111) by molecular beam epitaxy was investigated by in situ reflection high energy electron diffraction and ex situ scanning and transmission electron microscopy. Abrupt morphology transition and in-plane strain relaxation revealed that InAs NWs nucleate without any significant delay and under the absence of indium (In) droplets. These findings are independent of the As/In-flux ratio, revealing entirely linear vertical growth rate and nontapered NWs. No evidence of In droplets nor associated change in the NW apex morphology was observed for various growth termination procedures. These results highlight the absence of vapor-liquid-solid growth, providing substantial benefits for realization of atomically abrupt doping and composition profiles in future axial InAs-based NW heterostructures on Si.

  9. Absence of vapor-liquid-solid growth during molecular beam epitaxy of self-induced InAs nanowires on Si

    SciTech Connect

    Hertenberger, S.; Rudolph, D.; Bichler, M.; Spirkoska, D.; Finley, J. J.; Koblmueller, G.; Bolte, S.; Doeblinger, M.; Abstreiter, G.

    2011-03-21

    The growth mechanism of self-induced InAs nanowires (NWs) grown on Si (111) by molecular beam epitaxy was investigated by in situ reflection high energy electron diffraction and ex situ scanning and transmission electron microscopy. Abrupt morphology transition and in-plane strain relaxation revealed that InAs NWs nucleate without any significant delay and under the absence of indium (In) droplets. These findings are independent of the As/In-flux ratio, revealing entirely linear vertical growth rate and nontapered NWs. No evidence of In droplets nor associated change in the NW apex morphology was observed for various growth termination procedures. These results highlight the absence of vapor-liquid-solid growth, providing substantial benefits for realization of atomically abrupt doping and composition profiles in future axial InAs-based NW heterostructures on Si.

  10. Molecular dynamics generation of nonarbitrary membrane models reveals lipid orientational correlations.

    PubMed Central

    Takaoka, Y; Pasenkiewicz-Gierula, M; Miyagawa, H; Kitamura, K; Tamura, Y; Kusumi, A

    2000-01-01

    This report addresses the following problems associated with the generation of computer models of phospholipid bilayer membranes using molecular dynamics simulations: arbitrary initial structures and short equilibration periods, an Ewald-induced strong coupling of phospholipids, uncertainty regarding which value should be used for surface tension to alleviate the problem of the small size of the membrane, and simultaneous realization of both order parameters and the surface area. We generated a computer model of the liquid-crystalline L-alpha-dimyristoylphosphatidylcholine (DMPC) bilayer, starting from a configuration based on a crystal structure (rather than from an arbitrary structure). To break the crystalline structure, a 20-ps high-temperature pulse of 510 K (but not 450 or 480 K) was effective. The system finally obtained is an all-atom model, with Ewald summation to evaluate Coulombic interactions and a constant surface tension of 35 dynes/cm/water-membrane interface, equilibrated for 12 ns (over 50 ns total calculation time), which reproduces all of the experimentally observed parameters examined in this work. Furthermore, this model shows the presence of significant orientational correlations between neighboring alkyl chains and between shoulder vectors (which show the orientations of the lipids about their long axes) of neighboring DMPCs. PMID:11106617

  11. Evolution of the structure of near-surface ultrahigh molecular weight polyethylene nanolayers during orientational drawing

    NASA Astrophysics Data System (ADS)

    Lebedev, D. V.; Ivan'kova, E. M.; Marikhin, V. A.; Myasnikova, L. P.; Radovanova, E. I.; Boiko, Yu. M.; Shtil'man, M. V.

    2014-06-01

    A comparative investigation of the surface structure of ultrahigh molecular weight polyethylene film filaments obtained with different draw ratios from xerogels prepared from 1.5 wt % polymer solutions in decaline and mineral oil has been performed using a SUPRA-55V scanning electron microscope and a nanoluminograph for recording thermoluminescence of ultrathin near-surface layers of solids. It has been found that, with an increase in the draw ratio, the luminescence intensity decreases, and the peaks responsible for the segmental mobility are shifted toward higher temperatures. It has been assumed that this is associated with the improvement of the structure of near-surface layers of the polymer (with a decrease in the number of microcavities and segments of molecules with a high degree of coiling). It has also been revealed that the peaks observed in glow curves of the oriented gel samples from polymer solutions in decaline are shifted more significantly than those of the gel samples from polymer solutions in mineral oil, and the extremely oriented films are characterized by a large discretization of kinetic units of motion.

  12. 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

  13. Single orientation graphene synthesized on iridium thin films grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Dangwal Pandey, A.; Krausert, K.; Franz, D.; Grânäs, E.; Shayduk, R.; Müller, P.; Keller, T. F.; Noei, H.; Vonk, V.; Stierle, A.

    2016-08-01

    Heteroepitaxial iridium thin films were deposited on (0001) sapphire substrates by means of molecular beam epitaxy, and subsequently, one monolayer of graphene was synthesized by chemical vapor deposition. The influence of the growth parameters on the quality of the Ir films, as well as of graphene, was investigated systematically by means of low energy electron diffraction, x-ray reflectivity, x-ray diffraction, Auger electron spectroscopy, scanning electron microscopy, and atomic force microscopy. Our study reveals (111) oriented iridium films with high crystalline quality and extremely low surface roughness, on which the formation of large-area epitaxial graphene is achieved. The presence of defects, like dislocations, twins, and 30° rotated domains in the iridium films is also discussed. The coverage of graphene was found to be influenced by the presence of 30° rotated domains in the Ir films. Low iridium deposition rates suppress these rotated domains and an almost complete coverage of graphene was obtained. This synthesis route yields inexpensive, air-stable, and large-area graphene with a well-defined orientation, making it accessible to a wider community of researchers for numerous experiments or applications, including those which use destructive analysis techniques or irreversible processes. Moreover, this approach can be used to tune the structural quality of graphene, allowing a systematic study of the influence of defects in various processes like intercalation below graphene.

  14. 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.

  15. 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.

  16. Relaxational dynamics in the glassy, supercooled liquid, and orientationally disordered crystal phases of a polymorphic molecular material

    NASA Astrophysics Data System (ADS)

    Jiménez-Ruiz, M.; González, M. A.; Bermejo, F. J.; Miller, M. A.; Birge, Norman O.; Cendoya, I.; Alegría, A.

    1999-04-01

    The relaxational dynamics of the ambient pressure phases of ethyl alcohol are studied by means of measurements of frequency dependent dielectric susceptibility. A comparison of the α relaxation in the supercooled liquid and in the rotator phase crystal indicates that the molecular rotational degrees of freedom are the dominant contribution to structural relaxation at temperatures near the glass transition, the flow processes having lesser importance. Below the glass transition a secondary β relaxation is resolved for the orientational and structural glasses. Computer molecular-dynamics results suggest that localized molecular librations, strongly coupled to the low-frequency internal molecular motions, are responsible for this secondary relaxation.

  17. 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

  18. 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

  19. 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

  20. 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

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

    NASA Astrophysics Data System (ADS)

    Bo, Zheng; Yang, Huachao; Zhang, Shuo; Yang, Jinyuan; Yan, Jianhua; Cen, Kefa

    2015-10-01

    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.

  2. Hydroxyl and water molecule orientations in trypsin: Comparison to molecular dynamics structures

    SciTech Connect

    McDowell, R.S.; Kossiakoff, A.A.

    1994-12-31

    A comparison is presented of experimentally observed hydroxyl and water hydrogens in trypsin determined from neutron density maps with the results of a 140ps molecular dynamics (MD) simulation. Experimental determination of hydrogen and deuterium atom positions in molecules as large as proteins is a unique capability of neutron diffraction. The comparison addresses the degree to which a standard force-field approach can adequately describe the local electrostatic and van der Waals forces that determine the orientations of these hydrogens. Neutron densities, derived from 2.1{Angstrom} D{sub 2}O-H{sub 2}O difference Fourier maps, provide a database of 27 well-ordered hydroxyl hydrogens. Most of the simulated hydroxyl orientations are within a standard deviation of the experimentally-observed positions, including several examples in which both the simulation and the neutron density indicate that a hydroxyl group is shifted from a {open_quote}standard{close_quote} rotamer. For the most highly ordered water molecules, the hydrogen distributions calculated from the trajectory were in good agreement with neutron density; simulated water molecules that displayed multiple hydrogen bonding networks had correspondingly broadened neutron density profiles. This comparison was facilitated by development of a method to construct a pseudo 2{Angstrom} density map based on the hydrogen atom distributions from the simulation. The degree of disorder of internal water molecules is shown to result primarily from the electrostatic environment surrounding that water molecule as opposed to the cavity size available to the molecule. A method is presented for comparing the discrete observations sampled in a dynamics trajectory with the time- averaged data obtained from X-ray or neutron diffraction studies. This method is particularly useful for statically-disordered water molecules, in which the average location assigned from a trajectory may represent a site of relatively low occupancy.

  3. 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.

  4. Shape memory and pseudoelasticity in metal nanowires.

    PubMed

    Park, Harold S; Gall, Ken; Zimmerman, Jonathan A

    2005-12-16

    Structural reorientations in metallic fcc nanowires are controlled by a combination of size, thermal energy, and the type of defects formed during inelastic deformation. By utilizing atomistic simulations, we show that certain fcc nanowires can exhibit both shape memory and pseudoelastic behavior. We also show that the formation of defect-free twins, a process related to the material stacking fault energy, nanometer size scale, and surface stresses is the mechanism that controls the ability of fcc nanowires of different materials to show a reversible transition between two crystal orientations during loading and thus shape memory and pseudoelasticity. PMID:16384469

  5. Effect of an arsenic flux on the molecular-beam epitaxy of self-catalytic (Ga,Mn)As nanowire crystals

    SciTech Connect

    Sibirev, N. V. Bouravleuv, A. D.; Trushkov, Yu. M.; Beznasyuk, D. V.; Samsonenko, Yu. B.; Cirlin, G. E.

    2013-10-15

    The effect of an arsenic flux on the growth rate of self-catalytic (Ga,Mn)As nanowire crystals is studied. It is shown that, at low arsenic fluxes, nanowire-crystal growth is limited by the crystallization rate of the material below the droplet. However, at high arsenic fluxes, the growth kinetics are controlled by gallium transport into the droplet. It is experimentally demonstrated that, at low arsenic fluxes, the dependence of the nanowire length on the nanowire diameter is a steadily increasing function adequately described by Givargizov-Chernov's model. At the same time, a steadily decreasing diffusion dependence is observed at high arsenic fluxes.

  6. 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.

  7. 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.

  8. 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.

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

    DOE PAGES

    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

  10. 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.

  11. Kinetics and dynamics in physisorption of CH3Cl on HOPG: surface temperature and molecular orientation dependence.

    PubMed

    Hashinokuchi, Michihiro; Fukuyama, Tetsuya; Okada, Michio; Kasai, Toshio

    2011-04-14

    We report a study of kinetics and dynamics in physisorption of CH(3)Cl on a highly-oriented pyrolytic graphite (HOPG). Thermal energy atom scattering (TEAS) was used to probe the kinetics of thermal CH(3)Cl adsorption on HOPG during the coverage evolution. The desorption energy of CH(3)Cl on HOPG changes from 0.25 to 0.30 eV with increasing surface coverage, suggesting the attractive interaction between CH(3)Cl molecules on the surface. On the other hand, the oriented molecular beam scattering was used to monitor the dynamical interaction of CH(3)Cl with HOPG at zero coverage, demonstrating that the CH(3)Cl scattering intensity depends on the molecular orientation of the incident CH(3)Cl. The observed steric preference is not sensitive to the surface temperature. These results suggest that the moderate anisotropy in the interaction potential induces the molecular-orientation dependence of energy dissipation during the transient trapping into the physisorption well.

  12. 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.

  13. Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations.

    PubMed

    Re, Suyong; Nishima, Wataru; Tahara, Tahei; Sugita, Yuji

    2014-12-18

    Ordering of water structures near the surface of biological membranes has been recently extensively studied using interface-selective techniques like vibrational sum frequency generation (VSFG) spectroscopy. The detailed structures of interface water have emerged for charged lipids, but those for neutral zwitterionic lipids remain obscure. We analyze an all-atom molecular dynamics (MD) trajectory of a hydrated 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine bilayer to characterize the orientation of interface waters in different chemical environments. The structure and dynamics of interfacial waters strongly depend on both their vertical position along the bilayer normal as well as vicinal lipid charged groups. Water orientation in the vicinity of phosphate groups is opposite to that around choline groups. The results are consistent with observed VSFG spectra and demonstrate that a mosaic of water orientation structures exists on the surface of a neutral zwitterionic phospholipid bilayer, reflecting rapid water exchange and the influence of local chemical environments. PMID:26273985

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

    PubMed

    McClatchy, David M; Krishnaswamy, Venkataramanan; Kanick, Stephen C; Elliott, Jonathan T; Wells, Wendy A; Barth, Richard J; 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.

  15. 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

  16. 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.

  17. Lattice parameter accommodation between GaAs(111) nanowires and Si(111) substrate after growth via Au-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Davydok, Anton; Breuer, Steffen; Biermanns, Andreas; Geelhaar, Lutz; Pietsch, Ullrich

    2012-02-01

    Using out-of-plane and in-plane X-ray diffraction techniques, we have investigated the structure at the interface between GaAs nanowires [NWs] grown by Au-assisted molecular beam epitaxy and the underlying Si(111) substrate. Comparing the diffraction pattern measured at samples grown for 5, 60, and 1,800 s, we find a plastic strain release of about 75% close to the NW-to-substrate interface even at the initial state of growth, probably caused by the formation of a dislocation network at the Si-to-GaAs interface. In detail, we deduce that during the initial stage, zinc-blende structure GaAs islands grow with a gradually increasing lattice parameter over a transition region of several 10 nm in the growth direction. In contrast, accommodation of the in-plane lattice parameter takes place within a thickness of about 10 nm. As a consequence, the ratio between out-of-plane and in-plane lattice parameters is smaller than the unity in the initial state of growth. Finally the wurtzite-type NWs grow on top of the islands and are free of strain.

  18. 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.

  19. 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.

  20. 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.

  1. Free-Standing Vertical Gold Nanowires from Template Synthesis

    NASA Astrophysics Data System (ADS)

    Kim, Woo-Joong

    2005-03-01

    Gold nanowires are electrochemically grown in a track-etched polycarbonate membrane inside a Teflon cell containing gold plating solution. Using this method we have grown gold nanowires with diameters in the range of 20 - 200 nm and lengths on the order of 1 - 10 um. By controlling the membrane-dissolving process, we can deposit randomly oriented nanowires with the length in the plane of a substrate, or we can leave the nanowires vertically free-standing with one end still attached to a conducting base. We are currently exploring the vertical configuration in order to study the physics of individual nanowires or groups of nanowires. Quantities of interest include the cantilever mechanical resonance frequencies and the mechanical quality factor.

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

    DOE PAGES

    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

  3. 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.

  4. The Role of Surface Passivation in Controlling Ge Nanowire Faceting.

    PubMed

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

    2015-12-01

    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. 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. PMID:26539668

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Orientational Effects of the Detonation Threshold of Ozone from Molecular Dynamics

    NASA Astrophysics Data System (ADS)

    Barrett, J.; White, C.; Elert, M.; Robertson, D.

    1996-03-01

    A better understanding of the shock sensitivity of energetic materials is important in designing safer explosives. Experimental studies have shown that the shock sensitivity of single crystals of PETN depends on the orientation of the crystal axis relative to the shock propagation direction.(J. J. Dick, R. N. Mulford, W. J. Spencer, D. R. Pettit, E. Garcia, and D. C. Shaw, J. Appl. Phys.) 70, 3572 (1991). Orientation dependent explosions have also been observed in nitromethane single crystals.(G. J. Piermanarini, S. Block, and P. J. Miller, J. Phys. Chem.) 93, 457 (1989). Recently we have developed potentials to describe shock-induced chemistry and detonation in condensed phase ozone. In this paper we report results of simulations that show that this model predicts a strong orientational dependence in the detonation threshold. An explanation of this orientational dependence in terms of the crystal structure of the model material will be provided.

  12. 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…

  13. 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

  14. 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.

  15. 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.

  16. Molecular theory of the tilting transition in smectic liquid crystals with weak layer contraction and diffused cone orientational distribution

    NASA Astrophysics Data System (ADS)

    Osipov, Mikhail; Pająk, Grzegorz

    2012-02-01

    A molecular field theory of the smectic-A-smectic-C transition has been developed for smectics with a diffused cone orientational distribution of molecules (volcano-like distribution function) in the smectic-A phase and anomalously weak layer contraction in the smectic-C phase. Orientational order parameters and smectic layer spacing have been calculated numerically as functions of temperature and compared with the results obtained using a model with a standard Maier-Saupe-type distribution function that has been considered before. A molecular theory of the electroclinic effect in chiral smectics has also been developed using the recently proposed simple biaxial interaction potential. A comparison has been made between the absolute values and temperature variations of the electroclinic coefficient obtained using the volcano model, the model with Maier-Saupe-type distribution, and the orthodox cone model proposed by de Vries. It has been shown that the model with a conventional “sugar loaf” type orientational distribution function in the smectic-A phase is sufficient to describe the main properties of smectics with anomalously weak layer contraction.

  17. Molecular orientation, thermal behavior and density of electron and hole transport layers and the implication on device performance for OLEDs

    NASA Astrophysics Data System (ADS)

    Kearns, Kenneth L.; Na, Hong-Yeop; Froese, Robert D.; Mukhopadhyay, Sukrit; Woodward, Hunter; Welsh, Dean; De Vries, Timothy; Devore, David; Trefonas, Peter; Hong, Liang

    2014-10-01

    Recent progress has shown that molecular orientation in vapor-deposited glasses can affect device performance. The deposition process can result in films where the molecular axis of the glass material is preferentially ordered to lie parallel to the plane of the substrate. Here, materials made within Dow's Electronic Materials business showed enhanced performance when the orientation of the molecules, as measured by variable angle spectroscopic ellipsometry, was oriented in a more parallel fashion as compared to other materials. For one material, the anisotropic packing was observed in the as-deposited glass and was isotropic for solution-cast and annealed films. In addition, the density of an as-deposited N,N'-bis(naphthalene-1-yl)-N,N'-bis(phenyl)-2,2'-dimethylbenzidine (NPD) film was 0.8% greater than what was realized from slowly cooling the supercooled liquid. This enhanced density indicated that vapor-deposited molecules were packing more closely in addition to being anisotropic. Finally, upon heating the NPD film into the supercooled liquid state, both the density and anisotropic packing of the as-deposited glass was lost.

  18. Avoiding polar catastrophe in the growth of polarly orientated nickel perovskite thin films by reactive oxide molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Yang, H. F.; Liu, Z. T.; Fan, C. C.; Yao, Q.; Xiang, P.; Zhang, K. L.; Li, M. Y.; Liu, J. S.; Shen, D. W.

    2016-08-01

    By means of the state-of-the-art reactive oxide molecular beam epitaxy, we synthesized (001)- and (111)-orientated polar LaNiO3 thin films. In order to avoid the interfacial reconstructions induced by polar catastrophe, screening metallic Nb-doped SrTiO3 and iso-polarity LaAlO3 substrates were chosen to achieve high-quality (001)-orientated films in a layer-by-layer growth mode. For largely polar (111)-orientated films, we showed that iso-polarity LaAlO3 (111) substrate was more suitable than Nb-doped SrTiO3. In situ reflection high-energy electron diffraction, ex situ high-resolution X-ray diffraction, and atomic force microscopy were used to characterize these films. Our results show that special attentions need to be paid to grow high-quality oxide films with polar orientations, which can prompt the explorations of all-oxide electronics and artificial interfacial engineering to pursue intriguing emergent physics like proposed interfacial superconductivity and topological phases in LaNiO3 based superlattices.

  19. 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.

  20. 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.

  1. 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.

  2. Oriented single-crystal-like molecular arrangement of optically nonlinear 2-methyl-4-nitroaniline in electrospun nanofibers.

    PubMed

    Isakov, Dmitry V; de Matos Gomes, Etelvina; Vieira, Luis G; Dekola, Tatsiana; Belsley, Michael S; Almeida, Bernardo G

    2011-01-25

    In-plane aligned nanofibers of organic 2-methyl-4-nitroaniline (MNA) were produced by the electrospinning technique using a 1:1 weight ratio with poly(l-lactic acid). The fibers are capable of enormous efficient optical second harmonic generation as strong as pure MNA crystals in powder form. Structural, spectroscopic, and second harmonic generation polarimetry studies show that the MNA crystallizes within the fibers in an orientation in which the aromatic rings of MNA are predominantly orientated edge-on with respect to the plane of the fiber array and with their dipole moments aligned with the fiber axis. The results show that the electrospinning technique is an effective method to fabricate all-organic molecular functional devices based on polymer nanofibers with guest molecules possessing strong nonlinear optical and/or polar properties.

  3. Optical anisotropy in lipid bilayer membranes: coupled plasmon-waveguide resonance measurements of molecular orientation, polarizability, and shape.

    PubMed

    Salamon, Z; Tollin, G

    2001-03-01

    The birefringence and linear dichroism of anisotropic thin films such as proteolipid membranes are related to molecular properties such as polarizability, shape, and orientation. Coupled plasmon-waveguide resonance (CPWR) spectroscopy is shown in the present work to provide a convenient means of evaluating these parameters in a single lipid bilayer. This is illustrated by using 1-10 mol % of an acyl chain chromophore-labeled phosphatidylcholine (PC) incorporated into a solid-supported PC bilayer deposited onto a hydrated silica surface. CPWR measurements were made of refractive index and extinction coefficient anisotropies with two exciting light wavelengths, one of which is absorbed by the chromophore and one of which is not. These results were used to calculate longitudinal and transverse molecular polarizabilities, the orientational order parameter and average angle between the longitudinal axis of the lipid molecule and the membrane normal, and the molecular shape factors of the lipid molecules. The values thereby obtained are in excellent agreement with parameters determined by other techniques, and provide a powerful tool for analyzing lipid-protein, protein-protein, and protein-ligand interactions in proteolipid films.

  4. Molecular Orientation in Dry and Hydrated Cellulose Fibers: A Coherent Anti-Stokes Raman Scattering Microscopy Study

    PubMed Central

    Zimmerley, Maxwell; Younger, Rebecca; Valenton, Tiffany; Oertel, David C.; Ward, Jimmie L.; Potma, Eric O.

    2012-01-01

    Coherent anti-Stokes Raman scattering (CARS) microscopy is combined with spontaneous Raman scattering microspectroscopy and second harmonic generation (SHG) microscopy to interrogate the molecular alignment in dry and hydrated cellulose fibers. Two types of cellulose were investigated: natural cellulose I in cotton fibers and regenerated cellulose II in rayon fibers. On the basis of the orientation of the methylene symmetric stretching vibration, the molecular alignment of cellulose microfibrils is found to be conserved on the micrometer scale. Whereas the molecular orientation in cotton shows modest variability along the fiber, the alignment of the cellulose units in rayon is highly consistent throughout the fiber. The ordered alignment is retained upon fiber hydration. Upon hydration of the cellulose fibers, an anisotropic electronic contribution is observed, which indicates an ordered incorporation of water molecules into the fiber structure. The third-order and second-order electronic polarizability of cellulose I are directed along the axis of the polyglucan chain. No second-order optical response is observed in cellulose II, supporting the antiparallel arrangement of the polyglucan chains in regenerated cellulose. PMID:20684644

  5. 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%.

  6. 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.

  7. Influence of molecular chain orientation on optical and carrier transport properties of polymer blends

    NASA Astrophysics Data System (ADS)

    Kažukauskas, Vaidotas; Čyras, Valius; Pranaitis, Mindaugas; Apostoluk, Aleksandra; Rocha, Licinio; Sicot, Lionel; Raimond, Paul; Sentein, Carole

    2007-02-01

    We have investigated properties of poly(9-vinylcarbazole) (PVK) doped with 30% wt 4-dibutylamino-4'-nitrostilbene (DBANS), depending on orientation of the polar DBANS molecules. Appearance of the orientation-induced built-in electric field was proven optically by the solid electric field induced second harmonic generation and electrically by the current-voltage characterization. Modification of optical properties was evidenced by the spectral dependencies of the absorption coefficient. The thermally stimulated current spectra had demonstrated that carrier transport and trapping are affected, too.

  8. Effect of the molecular chain orientation on carrier transport and optical properties of polymer blends

    NASA Astrophysics Data System (ADS)

    Kažukauskas, V.; Čyras, V.; Pranaitis, M.; Apostoluk, A.; Rocha, L.; Sicot, L.; Raimond, P.; Sentein, C.

    2007-03-01

    We have investigated properties of poly(9-vinylcarbazole) (PVK) doped with 30% wt 4-dibutylamino-4'-nitrostilbene (DBANS), depending on the orientation of the polar DBANS molecules. Appearance of the orientation-induced built-in electrical field was proven optically by the Solid Electric Field Induced Second Harmonic Generation and electrically by Current-Voltage characterization. Modification of optical properties was evidenced by the spectral dependencies of absorption coefficient. The Thermally Stimulated Currents spectra demonstrated that carrier transport and trapping are affected, too. This paper has been presented at “ECHOS06”, Paris, 28 30 juin 2006.

  9. Features of transport in ultrathin gold nanowire structures.

    PubMed

    Pud, Sergii; Kisner, Alexandre; Heggen, Marc; Belaineh, Dagmawi; Temirov, Ruslan; Simon, Ulrich; Offenhäusser, Andreas; Mourzina, Yulia; Vitusevich, Svetlana

    2013-03-25

    The origin of the interface formation appearing due to the realization of contacts to ultrathin gold nanowire devices is revealed. Such interfaces play an important role in transport mechanisms in nanowire structures and can determine the electrical and operating parameters of a nanodevice. Based on experimental results, the specific electrical properties of bundles of ultrathin gold nanowires fabricated by wet chemical synthesis and subsequently assembled and contacted with gold electrodes are reported. It is demonstrated that these properties are strongly affected by the monolayers of organic molecules inevitably present on the surface of the nanowires due to synthetic conditions. In particular, such layers form a potential barrier to tunneling of the electrons from contacts to the nanowires. The electric transport behavior of the investigated nanowire structures in the temperature range from 500 mK to 300 K obeys the model of thermal fluctuation-induced tunneling conduction through the nanowire-metal electrode molecular junction. Application of this model allows calculation of the parameters of the molecular potential barrier. The formation of such a molecular barrier is verified by scanning tunneling microscope (STM) and transmission electron microscope (TEM) measurements performed using a supporting graphene layer. These findings are important for designing novel nanodevices for molecular electronics on the basis of ultrathin nanowires.

  10. 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).

  11. 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.

  12. 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.

  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. In situ analysis of melt-drawing behavior of ultrahigh molecular weight polyethylene films with different molecular weights: roles of entanglements on oriented crystallization.

    PubMed

    Kato, Satomi; Tanaka, Hidekazu; Yamanobe, Takeshi; Uehara, Hiroki

    2015-04-16

    Ultrahigh molecular weight polyethylene (UHMW-PE) films having different molecular weights (MWs) were melt-drawn at 150 °C. The stress-strain curve for higher-MW film exhibits higher stress on the characteristic plateau region and a subsequent steeper increase of stress due to strain hardening. Structural changes during such melt-drawing were analyzed using in situ wide-angle X-ray diffraction measurements. Hexagonal crystallization occurs at the beginning of the plateau region, independent of the sample MW. Once this hexagonal reflection intensity is saturated, it remains constant even at the later stage of draw. In contrast, orthorhombic reflection intensities gradually increase with increasing draw strain. Both of these oriented crystallizations into plateau hexagonal and increasing orthorhombic forms are accelerated with increasing MW. Correspondingly, the higher amount of extended chain crystals (ECCs) was confirmed from morphological observation for the resultant melt-drawn films of the higher-MW sample. Deep entanglements can effectively transmit the applied stress; thus, the oriented amorphous melts induce rapid hexagonal crystallization with disentangling shallow entanglements, which subsequently transforms into orthorhombic form. Such hexagonal crystallization plays the role of a thermodynamic pathway for growing such ECCs, where the stable orthorhombic form gradually accumulates with increasing draw strain.

  16. In situ analysis of melt-drawing behavior of ultrahigh molecular weight polyethylene films with different molecular weights: roles of entanglements on oriented crystallization.

    PubMed

    Kato, Satomi; Tanaka, Hidekazu; Yamanobe, Takeshi; Uehara, Hiroki

    2015-04-16

    Ultrahigh molecular weight polyethylene (UHMW-PE) films having different molecular weights (MWs) were melt-drawn at 150 °C. The stress-strain curve for higher-MW film exhibits higher stress on the characteristic plateau region and a subsequent steeper increase of stress due to strain hardening. Structural changes during such melt-drawing were analyzed using in situ wide-angle X-ray diffraction measurements. Hexagonal crystallization occurs at the beginning of the plateau region, independent of the sample MW. Once this hexagonal reflection intensity is saturated, it remains constant even at the later stage of draw. In contrast, orthorhombic reflection intensities gradually increase with increasing draw strain. Both of these oriented crystallizations into plateau hexagonal and increasing orthorhombic forms are accelerated with increasing MW. Correspondingly, the higher amount of extended chain crystals (ECCs) was confirmed from morphological observation for the resultant melt-drawn films of the higher-MW sample. Deep entanglements can effectively transmit the applied stress; thus, the oriented amorphous melts induce rapid hexagonal crystallization with disentangling shallow entanglements, which subsequently transforms into orthorhombic form. Such hexagonal crystallization plays the role of a thermodynamic pathway for growing such ECCs, where the stable orthorhombic form gradually accumulates with increasing draw strain. PMID:25785561

  17. Controlling quantum dynamics regardless of laser beam spatial profile and molecular orientation

    NASA Astrophysics Data System (ADS)

    Rabitz, Herschel; Turinici, Gabriel

    2007-04-01

    In a typical experiment aiming to control quantum dynamics phenomena, each molecule experiences the same temporal laser field, but with an amplitude that depends on the spatial location and orientation of the molecule in the laser beam. It is proved under commonly arising conditions that at least one optimal laser field exists which will control all molecules in the sample, regardless of their orientation or spatial location. The optimal laser field may consist of a multipolarization control containing up to three orthogonal, independently shaped components. The analysis also includes the prospect of multipartite control where the field couples distinct groupings of states (e.g., multiple vibronic states), but without direct coupling within a group of states. This conclusion shows that achieving quantum control is not a matter of striking a compromise over the sample diversity, but rather a task subject to optimization to reach the highest possible level of control for all molecules in the sample.

  18. Electrical breakdown of nanowires.

    PubMed

    Zhao, Jiong; Sun, Hongyu; Dai, Sheng; Wang, Yan; Zhu, Jing

    2011-11-01

    Instantaneous electrical breakdown measurements of GaN and Ag nanowires are performed by an in situ transmission electron microscopy method. Our results directly reveal the mechanism that typical thermally heated semiconductor nanowires break at the midpoint, while metallic nanowires breakdown near the two ends due to the stress induced by electromigration. The different breakdown mechanisms for the nanowires are caused by the different thermal and electrical properties of the materials.

  19. 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

  20. 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.

  1. 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.

  2. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Thermal stability of silicon nanowires: atomistic simulation study

    NASA Astrophysics Data System (ADS)

    Liu, Wen-Liang; Zhang, Kai-Wang; Zhong, Jian-Xin

    2009-07-01

    Using the Stillinger-Weber (SW) potential model, we investigate the thermal stability of pristine silicon nanowires based on classical molecular dynamics (MD) simulations. We explore the structural evolutions and the Lindemann indices of silicon nanowires at different temperatures in order to unveil atomic-level melting behaviour of silicon nanowires. The simulation results show that silicon nanowires with surface reconstructions have higher thermal stability than those without surface reconstructions, and that silicon nanowires with perpendicular dimmer rows on the two (100) surfaces have somewhat higher thermal stability than nanowires with parallel dimmer rows on the two (100) surfaces. Furthermore, the melting temperature of silicon nanowires increases as their diameter increases and reaches a saturation value close to the melting temperature of bulk silicon. The value of the Lindemann index for melting silicon nanowires is 0.037.

  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. 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

  5. Fabrication of single-crystal Si nanowires by ultrahigh vacuum magnetron sputtering.

    NASA Astrophysics Data System (ADS)

    Knepper, J. W.; Zhao, X. W.; Yang, F. Y.

    2006-03-01

    Semiconductor nanowires have attracted great interests due to the intriguing fundamental science and technological application they provide. Many semiconductor materials have been made into single crystal nanowires with superior crystal quality and high mobility. Among them, silicon is particularly interesting because silicon is the foundation of modern electronic technology. A majority of the nanowire synthesis used laser-assisted catalyst growth or chemical vapor deposition. Here we reported a different approach to the fabrication of semiconductor nanowires using ultrahigh vacuum magnetron sputtering. Using thin Au layers as catalyst via vopor-liquid-solid mechanism, single crystal Si nanowires have been grown on Si substrates at a temperature of ˜700 C. Electron microscopy revealed that most Si nanowires grew epitaxially on Si(111) surfaces. Si nanowires are perpendicular to the Si(111) surface with a Si/Au alloy sphere on the top of the nanowires. The growth of Si nanowires on Si wafers with other orientations and amorphous silicon oxide layers was also observed, but with much less probability. The diameter of the Si nanowires is about 200 nm using Au layers as catalyst. The nanowire diameter can be controlled to smaller size by patterning the Au layers into small dots to reduce the catalyst size. Si nanowires fabricated by ultrahigh vacuum sputter at a base pressure of 10̂-10 torr are high purity and can be easily doped to desirable carrier concentration.

  6. 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

  7. 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

  8. Guided growth of horizontal nanowires: A new path to self-integrated nanosystems

    NASA Astrophysics Data System (ADS)

    Joselevich, Ernesto

    2014-03-01

    The large-scale assembly of nanowires with controlled orientation on surfaces remains one of the most critical challenges toward their integration into practical devices. We report the vapor-liquid-solid growth of perfectly aligned, millimeter-long, horizontal GaN and ZnO nanowires with controlled crystallographic orientations on different planes of sapphire and other substrates. The growth directions, crystallographic orientation and faceting of the nanowires vary with each surface orientation, as determined by their epitaxial relationship with the substrate, as well as by a graphoepitaxial effect that guides their growth along surface steps and grooves. Despite their interaction with the surface, these horizontally grown nanowires display few structural defects, exhibiting optical and electronic properties comparable to those of vertically grown nanowires. Guided GaN nanowires and ZnO nanowires present general similarities and a few interesting differences, which shed light into the guided growth mechanism. The controlled horizontal growth of nanowires of different materials on different substrates proves the generality of the guided growth approach. Recently, we demonstrated the feasibility of massively parallel ``self-integration'' of NWs into functional systems based on guided growth, including hundreds of sing-NW based field-effect transistors made all at once, and complex logic circuits, such as a 3-bit address decoder. These examples highlight the potential of guided growth for the large-scale integration of nanowires into practical devices.

  9. 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.

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

    PubMed

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

    2016-06-16

    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.

  11. 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.

  12. 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.

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

    PubMed Central

    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

    2015-01-01

    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. PMID:25687887

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

    PubMed

    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

    2015-01-01

    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. PMID:25687887

  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. 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.

  17. 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.

  18. Impact of nucleation conditions on diameter modulation of GaAs nanowires

    NASA Astrophysics Data System (ADS)

    Crawford, Samuel C.; Ermez, Sema; Haberfehlner, Georg; Jones, Eric J.; Gradečak, Silvija

    2015-06-01

    Diameter-modulated nanowires can be used to impart unique properties to nanowire-based devices. Here, diameter modulation along Au-seeded GaAs nanowires was achieved by varying the flux of the III and V precursors during growth. Furthermore, three different types of [111]B-oriented nanowires were observed to display distinct differences in diameter modulation, growth rate, and cross-sectional shape. These differences are attributed to the presence of multiple distinct Au-Ga seed particle phases at the growth temperature of 420 °C. We show that the diameter modulation behavior can be modified by the growth conditions during nanowire nucleation, including temperature, V/III ratio, substrate orientation, and seed particle size. These results demonstrate the general viability of flow-controlled diameter modulation for compound semiconductors and highlight both opportunities and challenges that can arise from using compound-forming alloys to seed nanowire growth.

  19. Vertical III-V nanowire device integration on Si(100).

    PubMed

    Borg, Mattias; Schmid, Heinz; Moselund, Kirsten E; Signorello, Giorgio; Gignac, Lynne; Bruley, John; Breslin, Chris; Das Kanungo, Pratyush; Werner, Peter; Riel, Heike

    2014-01-01

    We report complementary metal-oxide-semiconductor (CMOS)-compatible integration of compound semiconductors on Si substrates. InAs and GaAs nanowires are selectively grown in vertical SiO2 nanotube templates fabricated on Si substrates of varying crystallographic orientations, including nanocrystalline Si. The nanowires investigated are epitaxially grown, single-crystalline, free from threading dislocations, and with an orientation and dimension directly given by the shape of the template. GaAs nanowires exhibit stable photoluminescence at room temperature, with a higher measured intensity when still surrounded by the template. Si-InAs heterojunction nanowire tunnel diodes were fabricated on Si(100) and are electrically characterized. The results indicate a high uniformity and scalability in the fabrication process.

  20. 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.

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. Large-scale organic nanowire lithography and electronics.

    PubMed

    Min, Sung-Yong; Kim, Tae-Sik; Kim, Beom Joon; Cho, Himchan; Noh, Yong-Young; Yang, Hoichang; Cho, Jeong Ho; Lee, Tae-Woo

    2013-01-01

    Controlled alignment and patterning of individual semiconducting nanowires at a desired position in a large area is a key requirement for electronic device applications. High-speed, large-area printing of highly aligned individual nanowires that allows control of the exact numbers of wires, and their orientations and dimensions is a significant challenge for practical electronics applications. Here we use a high-speed electrohydrodynamic organic nanowire printer to print large-area organic semiconducting nanowire arrays directly on device substrates in a precisely, individually controlled manner; this method also enables sophisticated large-area nanowire lithography for nano-electronics. We achieve a maximum field-effect mobility up to 9.7 cm(2) V(-1) s(-1) with extremely low contact resistance (<5.53 Ω cm), even in nano-channel transistors based on single-stranded semiconducting nanowires. We also demonstrate complementary inverter circuit arrays comprising well-aligned p-type and n-type organic semiconducting nanowires. Extremely fast nanolithography using printed semiconducting nanowire arrays provide a simple, reliable method of fabricating large-area and flexible nano-electronics.

  6. 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

  7. Synthesis of uniform CdS nanowires in high yield and its single nanowire electrical property

    SciTech Connect

    Yan Shancheng; Sun Litao; Qu Peng; Huang Ninping; Song Yinchen; Xiao Zhongdang

    2009-10-15

    Large-scale high quality CdS nanowires with uniform diameter were synthesized by using a rapid and simple solvothermal route. Field emission scan electron microscopy (FESEM) and transmission electron microscopy (TEM) images show that the CdS nanowires have diameter of about 26 nm and length up to several micrometres. High resolution TEM (HRTEM) study indicates 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 UV-vis absorption spectra, photoluminescence spectra and Raman spectra. The resistivity, electron concentration and electron mobility of single NW are calculated by fitting the symmetric I-V curves measured on single NW by the metal-semiconductor-metal model based on thermionic field emission theory. - Graphical abstract: Large-scale high quality CdS nanowires (NWs) with uniform diameter were synthesized by using a rapid and simple solvothermal route. The reaction time is reduced to 2 h, comparing to other synthesis which needed long reaction time up to 12 h. In addition, the as-prepared CdS nanowires have more uniform diameter and high yield. More importantly, the I-V curve of present single CdS nanowire has a good symmetric characteristic as expected by the theory.

  8. Studies of Molecular Orientation and Order in Self-Assembled Semifluorinated n-Alkylthiols: Single and Dual Component Mixtures

    NASA Astrophysics Data System (ADS)

    Rabolt, John F.; Tsao, Mei-Wei; Hoffmann, Catherine L.; Johnson, Harry E.; Castner, David G.; Ringsdorf, Helmut

    1997-03-01

    The structure, orientation and morphology of self-assembled monolayers of a semifluorinated n-alkythiol, F(CF_2)8 (CH_2)_11 SH (F8H11SH), have been investigated by polarized IR, angular dependent XPS, time-of-flight SIMS, contact angle and ellipsometric measurements. The orientation of the all trans hydrocarbon segment was found to be tilted much less from the surface normal than the 30 degree tilt found for octadecylthiol. This has been attributed to the steric constraints imposed by the larger cross section fluorocarbon helices which subsequently are tilted from the surface normal. In addition, studies of dual component mixtures of F8H11SH/F8SH and F8SH/F8H2SH have revealed that competitive adsorption occurs in the former producing monolayers which are deficient in the shorter F8SH molecules while in the latter equal representation of both F8SH and F8H2SH molecules are found on the surface due to their similar molecular lengths. These well-defined surfaces were investigated as alignment media for liquid crystals and a number of these templates have shown homeotropic and degenerate planar alignment of adjacent liquid crystal layers. The morphology of these surface layer is found to be very important in controlling the liquid crystal alignment.

  9. 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.

  10. 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

  11. Influence of Nanowire Diameter on Structural and Optical Properties of cu Nanowire Synthesized in Anodic Aluminium Oxide Film

    NASA Astrophysics Data System (ADS)

    Cetinel, A.; Özcelik, Z.

    2016-11-01

    Copper (Cu) nanowire arrays embedded in anodic aluminium oxide films (AAO) on aluminium substrate have been synthesized by alternating current electrochemical deposition. Two-step anodization process has been performed to get the through-hole AAO with ordered nanochannels in 0.3M oxalic acids at DC voltages 30, 40, 50 and 60V, respectively. Structural characterization of the Cu nanowires has been analyzed by scanning electron microscopy (SEM) and X-ray diffraction (or) X-ray diffractometer (XRD). Our SEM analysis has revealed that the diameters of vertically oriented Cu nanowires are 15, 25, 45 and 60nm and the length of Cu nanowires having high packing density is about 15μm. XRD measurement has indicated that polycrystalline Cu nanowires prefer growth orientation along the (111) direction. Optical measurements show that reflection of the Cu nanowires/AAO on aluminium reduces with decreasing diameter of the Cu nanowires. This effect can be associated with increased light scattering from metal nanoparticles near their localized plasmon resonance frequency depending on the size and shape of the nanoparticles.

  12. 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

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

    PubMed

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

    2016-06-17

    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. PMID:27172276

  14. 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.

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

    PubMed

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

    2016-06-17

    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.

  16. Defect transfer from nanoparticles to nanowires.

    PubMed

    Barth, Sven; Boland, John J; Holmes, Justin D

    2011-04-13

    Metal-seeded growth of one-dimensional (1D) semiconductor nanostructures is still a very active field of research, despite the huge progress which has been made in understanding this fundamental phenomenon. Liquid growth promoters allow control of the aspect ratio, diameter, and structure of 1D crystals via external parameters, such as precursor feedstock, temperature, and operating pressure. However the transfer of crystallographic information from a catalytic nanoparticle seed to a growing nanowire has not been described in the literature. Here we define the theoretical requirements for transferring defects from nanoparticle seeds to growing semiconductor nanowires and describe why Ag nanoparticles are ideal candidates for this purpose. We detail in this paper the influence of solid Ag growth seeds on the crystal quality of Ge nanowires, synthesized using a supercritical fluid growth process. Significantly, under certain reaction conditions {111} stacking faults in the Ag seeds can be directly transferred to a high percentage of <112>-oriented Ge nanowires, in the form of radial twins in the semiconductor crystals. Defect transfer from nanoparticles to nanowires could open up the possibility of engineering 1D nanostructures with new and tunable physical properties and morphologies.

  17. 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

  18. Molecular orientation near the surface of a smectic liquid crystal cell showing V-shaped switching by means of attenuated total internal reflection ellipsometry

    SciTech Connect

    Ikeda, Shinya; Ogasawara, Toyokazu; Nakata, Michi; Takanishi, Yoichi; Ishikawa, Ken; Takezoe, Hideo

    2001-06-01

    Attenuated total internal reflection ellipsometry was used to probe the molecular orientation and switching near the surface of a smectic liquid crystal cell showing V-shaped switching. We find that the switching occurs collectively near the surface as in the bulk. The molecules form a twisted state, but the twist angle relative to the bulk layer normal is small because of compensating twist of the smectic layer normal. As a result, a rather uniform molecular orientation is produced, resulting in high extinction and a high contrast ratio in the absence of a field.

  19. 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.

  20. Fabrication of a sub-10 nm silicon nanowire based ethanol sensor using block copolymer lithography

    NASA Astrophysics Data System (ADS)

    Rasappa, Sozaraj; Borah, Dipu; Faulkner, Colm C.; Lutz, Tarek; Shaw, Matthew T.; Holmes, Justin D.; Morris, Michael A.

    2013-02-01

    This paper details the fabrication of ultrathin silicon nanowires (SiNWs) on a silicon-on-insulator (SOI) substrate as an electrode for the electro-oxidation and sensing of ethanol. The nanowire surfaces were prepared by a block copolymer (BCP) nanolithographic technique using low molecular weight symmetric poly(styrene)-block-poly(methyl methacrylate) (PS-b-PMMA) to create a nanopattern which was transferred to the substrate using plasma etching. The BCP orientation was controlled using a hydroxyl-terminated random polymer brush of poly(styrene)-random-poly(methyl methacrylate) (HO-PS-r-PMMA). TEM cross-sections of the resultant SiNWs indicate an anisotropic etch process with nanowires of sub-10 nm feature size. The SiNWs obtained by etching show high crystallinity and there is no evidence of defect inclusion or amorphous region production as a result of the pattern transfer process. The high density of SiNWs at the substrate surface allowed the fabrication of a sensor for cyclic voltammetric detection of ethanol. The sensor shows better sensitivity to ethanol and a faster response time compared to widely used polymer nanocomposite based sensors.

  1. Ultralong copper phthalocyanine nanowires with new crystal structure and broad optical absorption.

    PubMed

    Wang, Hai; Mauthoor, Soumaya; Din, Salahud; Gardener, Jules A; Chang, Rio; Warner, Marc; Aeppli, Gabriel; McComb, David W; Ryan, Mary P; Wu, Wei; Fisher, Andrew J; Stoneham, Marshall; Heutz, Sandrine

    2010-07-27

    The development of molecular nanostructures plays a major role in emerging organic electronic applications, as it leads to improved performance and is compatible with our increasing need for miniaturization. In particular, nanowires have been obtained from solution or vapor phase and have displayed high conductivity or large interfacial areas in solar cells. In all cases however, the crystal structure remains as in films or bulk, and the exploitation of wires requires extensive postgrowth manipulation as their orientations are random. Here we report copper phthalocyanine (CuPc) nanowires with diameters of 10-100 nm, high directionality, and unprecedented aspect ratios. We demonstrate that they adopt a new crystal phase, designated eta-CuPc, where the molecules stack along the long axis. The resulting high electronic overlap along the centimeter length stacks achieved in our wires mediates antiferromagnetic couplings and broadens the optical absorption spectrum. The ability to fabricate ultralong, flexible metal phthalocyanine nanowires opens new possibilities for applications of these simple molecules.

  2. 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.

  3. 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

  4. 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.

  5. Preferred Molecular Orientation of Coumarin 343 on TiO2 Surfaces: Application to Dye-Sensitized Solar Cells.

    PubMed

    McCree-Grey, Jonathan; Cole, Jacqueline M; Evans, Peter J

    2015-08-01

    The dye···TiO2 interfacial structure in working electrodes of dye-sensitized solar cells (DSCs) is known to influence its photovoltaic device performance. Despite this, direct and quantitative reports of such structure remain sparse. This case study presents the application of X-ray reflectometry to determine the preferred structural orientation and molecular packing of the organic dye, Coumarin 343, adsorbed onto amorphous TiO2. Results show that the dye molecules are, on average, tilted by 61.1° relative to the TiO2 surface, and are separated from each other by 8.2 Å. These findings emulate the molecular packing arrangement of a monolayer of Coumarin 343 within its crystal structure. This suggests that the dye adsorbs onto TiO2 in one of its lowest energy configurations; that is, dye···TiO2 self-assembly is driven more by thermodynamic rather than kinetic means. Complementary DSC device tests illustrate that this interfacial structure compromises photovoltaic performance, unless a suitably sized coadsorbant is interdispersed between the Coumarin 343 chromophores on the TiO2 surface. PMID:26159229

  6. Structure-dependent mechanical properties of ultrathin zinc oxide nanowires

    PubMed Central

    2011-01-01

    Mechanical properties of ultrathin zinc oxide (ZnO) nanowires of about 0.7-1.1 nm width and in the unbuckled wurtzite (WZ) phase have been carried out by molecular dynamics simulation. As the width of the nanowire decreases, Young's modulus, stress-strain behavior, and yielding stress all increase. In addition, the yielding strength and Young's modulus of Type III are much lower than the other two types, because Type I and II have prominent edges on the cross-section of the nanowire. Due to the flexibility of the Zn-O bond, the phase transformation from an unbuckled WZ phase to a buckled WZ is observed under the tensile process, and this behavior is reversible. Moreover, one- and two-atom-wide chains can be observed before the ZnO nanowires rupture. These results indicate that the ultrathin nanowire possesses very high malleability. PMID:21711876

  7. 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.

  8. 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

  9. 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.

  10. 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.

  11. Molecular precursor derived silicon boron carbonitride/carbon nanotube and silicon oxycarbide/carbon nanotube composite nanowires for energy based applications

    NASA Astrophysics Data System (ADS)

    Bhandavat, Romil

    Molecular precursor derived ceramics (also known as polymer-derived ceramics or PDCs) are high temperature glasses that have been studied for applications involving operation at elevated temperatures. Prepared from controlled thermal degradation of liquid-phase organosilicon precursors, these ceramics offer remarkable engineering properties such as resistance to crystallization up to 1400 °C, semiconductor behavior at high temperatures and intense photoluminescence. These properties are a direct result of their covalent bonded amorphous network and free (-sp2) carbon along with mixed Si/B/C/N/O bonds, which otherwise can not be obtained through conventional ceramic processing techniques. This thesis demonstrates synthesis of a unique core/shell type nanowire structure involving either siliconboroncarbonitride (SiBCN) or siliconoxycarbide (SiOC) as the shell with carbon nanotube (CNT) acting as the core. This was made possible by liquid phase functionalization of CNT surfaces with respective polymeric precursor (e.g., home-made boron-modified polyureamethylvinylsilazane for SiBCN/CNT and commercially obtained polysiloxane for SiOC/CNT), followed by controlled pyrolysis in inert conditions. This unique architecture has several benefits such as high temperature oxidation resistance (provided by the ceramic shell), improved electrical conductivity and mechanical toughness (attributed to the CNT core) that allowed us to explore its use in energy conversion and storage devices. The first application involved use of SiBCN/CNT composite as a high temperature radiation absorbant material for laser thermal calorimeter. SiBCN/CNT spray coatings on copper substrate were exposed to high energy laser beams (continuous wave at 10.6 mum 2.5 kW CO2 laser, 10 seconds) and resulting change in its microstructure was studied ex-situ. With the aid of multiple techniques we ascertained the thermal damage resistance to be 15 kW/cm -2 with optical absorbance exceeding 97%. This represents

  12. Elastic properties of nanowires

    NASA Astrophysics Data System (ADS)

    da Fonseca, Alexandre F.; Malta, C. P.; Galva~O, Douglas S.

    2006-05-01

    We present a model to study Young's modulus and Poisson's ratio of the composite material of amorphous nanowires. It is an extension of the model derived by two of us [da Fonseca and Galva~o, Phys. Rev. Lett. 92, 175502 (2004)] to study the elastic properties of amorphous nanosprings. The model is based on twisting and tensioning a straight nanowire and we propose an experimental setup to obtain the elastic parameters of the nanowire. We used the Kirchhoff rod model to obtain the expressions for the elastic constants of the nanowire.

  13. Cell membrane conformation at vertical nanowire array interface revealed by fluorescence imaging

    NASA Astrophysics Data System (ADS)

    Berthing, Trine; Bonde, Sara; Rostgaard, Katrine R.; Hannibal Madsen, Morten; Sørensen, Claus B.; Nygård, Jesper; Martinez, Karen L.

    2012-10-01

    The perspectives offered by vertical arrays of nanowires for biosensing applications in living cells depend on the access of individual nanowires to the cell interior. Recent results on electrical access and molecular delivery suggest that direct access is not always obtained. Here, we present a generic approach to directly visualize the membrane conformation of living cells interfaced with nanowire arrays, with single nanowire resolution. The method combines confocal z-stack imaging with an optimized cell membrane labelling strategy which was applied to HEK293 cells interfaced with 2-11 μm long and 3-7 μm spaced nanowires with various surface coatings (bare, aminosilane-coated or polyethyleneimine-coated indium arsenide). We demonstrate that, for all commonly used nanowire lengths, spacings and surface coatings, nanowires generally remain enclosed in a membrane compartment, and are thereby not in direct contact with the cell interior.

  14. Field-free molecular orientation induced by combined femtosecond single- and dual-color laser pulses: The role of delay time and quantum interference

    NASA Astrophysics Data System (ADS)

    Qin, Chao-Chao; Jia, Guang-Rui; Zhang, Xian-Zhou; Liu, Yu-Fang; Long, Jin-You; Zhang, Bing

    2014-01-01

    The coherent control of field-free molecular orientation of CO with combined femtosecond single- and dual-color laser pulses has been theoretically studied. The effect of the delay time between the femtosecond single- and dual-color laser pulses is discussed, and the physical mechanism of the enhancement of molecular orientation with pre-alignment of the molecule is investigated. It is found that the basic mechanism is based on the creation of a rotational wave packet by the femtosecond single-color laser pulse. Furthermore, we investigate the interference between multiple rotational excitation pathways following pre-alignment with femtosecond single-color laser pulse. It is shown that such interference can lead to an enhancement of the orientation of CO molecule by a factor of 1.6.

  15. 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.

  16. Quantized Conductance in InSb nanowires at zero magnetic field

    NASA Astrophysics Data System (ADS)

    Kammhuber, Jakob; Cassidy, Maja; Zhang, Hao; Gül, Önder; Pei, Fei; de Moor, Michiel; Watanabe, Kenji; Taniguchi, Takashi; Car, Diana; Bakkers, Erik; Kouwenhoven, Leo

    We present measurements of InSb nanowires in the ballistic transport regime. In 1D materials such as nanowires, electron scattering has an increased chance of back-reflection, obscuring the observation of quantized conductance at low magnetic fields. By improving the contacts to the nanowire as well as its dielectric environment backscattering events are minimized and conductance quantization is observable at zero magnetic field with high device yield. We study the evolution of individual sub-bands in an external magnetic field, observing a degeneracy between the 2nd and 3rd sub-band when the magnetic field is orientated perpendicular to the nanowire axis.

  17. 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.

  18. 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.

  19. Development of palladium nanowires

    NASA Astrophysics Data System (ADS)

    Cheng, Chuanding

    Inherent limitations of traditional lithography have prompted the search for means of achieving self-assembly of nano-scale structures and networks for the next generation of electronic and photonic devices. The nanowire, the basic building block of a nanocircuit, has recently become the focus of intense research. Reports on nanowire synthesis and assembly have appeared in the scientific literature, which include Vapor-Liquid-Solid mechanism, template-based electrochemical fabrication, solvothermal or wet chemistry, and assembly by fluid alignment or microchannel networks. An ideal approach for practical application of nanowires would circumvent technical and economic constraints of templating. Here we report on the self-assembly of highly-ordered metallic nanowires directly from a palladium acetate solution under an applied alternating current (AC) electric field of relatively high intensity and frequency. DNA-templated nanowires are first presented here. DNA molecules were stretched and positioned by electric field, followed by metallization by palladium acetate solution. Palladium nanowire arrays have been found to grow directly between microelectrodes without any template, under an alternating electric field of relatively high intensity and frequency. The wires grew spontaneously along the direction of the electric field and have high uniformity and conductivity. Single 75 nm-diameter palladium nanowires have also been self-assembled from aqueous solution at predefined locations between 15 mum-gap electrodes built on a SiO2 substrate. Nanowire assembly was initiated by application an electric field, and it occurred only along the direction of field lines where the field is strongest. Related metals did not support single nanowire assembly under comparable conditions. Current-limiting circuits for controlled nanowire synthesis, electric field simulation, and growth mechanism were studied. The simple and straightforward approach to nanowire assembly outlined here

  20. Transport properties of bismuth nano-wire systems.

    NASA Astrophysics Data System (ADS)

    Zhang, Z.; Dresselhaus, M. S.; Ying, J. Y.; Heremans, J.

    1998-03-01

    Ultra-fine Bi nano-wires (10--120 nm diameter) with packing density as high as 7×10^10/cm^2 were fabricated by pressure injecting molten Bi into the evacuated channels of an anodic alumina template. The resulting Bi nano-wires are shown to be single crystals (with the same structure as bulk Bi) and all the nano-wires are similarly oriented. The small effective mass of Bi, high anisotropy of its Fermi surface, and the high aspect ratio (length/diameter) of Bi nano-wires make this an excellent system for studying quantum confinement effects in a one-dimensional (1D) electron gas. Transport properties, such as electrical conductivity, magnetoresistance and thermoelectric power, are investigated for both Bi nano-wire arrays and free-standing Bi nano-wires with various wire diameters (10-120 nm) and Te doping concentrations (0.025-0.5 at.%), and at various temperatures and magnetic fields. A theoretical model based on the basic band structure of bulk Bi, suitably modified for the 1D situation, explains the many unusual effects that are observed. Strong evidence is provided for an interesting quantum confinement-induced semimetal to semiconductor transition in such Bi nano-wires.

  1. Specific recognition of the collagen triple helix by chaperone HSP47: minimal structural requirement and spatial molecular orientation.

    PubMed

    Koide, Takaki; Asada, Shinichi; Takahara, Yoshifumi; Nishikawa, Yoshimi; Nagata, Kazuhiro; Kitagawa, Kouki

    2006-02-10

    The unique folding of procollagens in the endoplasmic reticulum is achieved with the assistance of procollagen-specific molecular chaperones. Heat-shock protein 47 (HSP47) is an endoplasmic reticulum-resident chaperone that plays an essential role in normal procollagen folding, although its molecular function has not yet been clarified. Recent advances in studies on the binding specificity of HSP47 have revealed that Arg residues at Yaa positions in collagenous Gly-Xaa-Yaa repeats are critical for its interactions (Koide, T., Takahara, Y., Asada, S., and Nagata, K. (2002) J. Biol. Chem. 277, 6178-6182; Tasab, M., Jenkinson, L., and Bulleid, N. J. (2002) J. Biol. Chem. 277, 35007-35012). In the present study, we further examined the client recognition mechanism of HSP47 by taking advantage of systems employing engineered collagen model peptides. First, in vitro binding studies using conformationally constrained collagen-like peptides revealed that HSP47 only recognized correctly folded triple helices and that the interaction with the corresponding single-chain polypeptides was negligible. Second, a binding study using heterotrimeric model clients for HSP47 demonstrated a minimal requirement for the number of Arg residues in the triple helix. Finally, a cross-linking study using photoreactive collagenous peptides provided information about the spatial orientation of an HSP47 molecule in the chaperone-collagen complex. The obtained results led to the development of a new model of HSP47-collagen complexes that differs completely from the previously proposed "flying capstan model" (Dafforn, T. R., Della, M., and Miller, A. D. (2001) J. Biol. Chem. 276, 49310-49319).

  2. Photovoltaic properties of GaAs:Be nanowire arrays

    SciTech Connect

    Bouravleuv, A. D.; Beznasyuk, D. V.; Gilstein, E. P.; Tchernycheva, M.; Luna Bugallo, A. De; Rigutti, L.; Yu, L.; Proskuryakov, Yu.; Shtrom, I. V.; Timofeeva, M. A.; Samsonenko, Yu. B.; Khrebtov, A. I.; Cirlin, G.

    2013-06-15

    Arrays of GaAs:Be nanowires are synthesized by molecular beam epitaxy on GaAs(111)B substrates. Prototypes of photovoltaic converters in which the grown nanowire arrays are used as active layers are produced by means of successive photolithography, etching, and metallization processes. Studying the photovoltaic properties of the fabricated structures using a solar radiation simulator demonstrates that the solarenergy conversion efficiency is about 0.1%. The value of the efficiency recalculated with the area occupied by the p-type nanowires on the surface of the n-type GaAs substrate taken into account amounts to 1.1%.

  3. 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.

  4. Structure and morphology in diffusion-driven growth of nanowires: the case of ZnTe.

    PubMed

    Rueda-Fonseca, P; Bellet-Amalric, E; Vigliaturo, R; den Hertog, M; Genuist, Y; André, R; Robin, E; Artioli, A; Stepanov, P; Ferrand, D; Kheng, K; Tatarenko, S; Cibert, J

    2014-01-01

    Gold-catalyzed ZnTe nanowires were grown at low temperature by molecular beam epitaxy on a ZnTe(111) B buffer layer, under different II/VI flux ratios, including with CdTe insertions. High-resolution electron microscopy and energy-dispersive X-ray spectroscopy (EDX) gave information about the crystal structure, polarity, and growth mechanisms. We observe, under stoichiometric conditions, the simultaneous presence of zinc-blende and wurtzite nanowires spread homogeneously on the same sample. Wurtzite nanowires are cylinder-shaped with a pyramidal-structured base. Zinc-blende nanowires are cone-shaped with a crater at their base. Both nanowires and substrate show a Te-ended polarity. Te-rich conditions favor zinc-blende nanowires, while Zn-rich suppress nanowire growth. Using a diffusion-driven growth model, we present a criterion for the existence of a crater or a pyramid at the base of the nanowires. The difference in nanowire morphology indicates lateral growth only for zinc-blende nanowires. The role of the direct impinging flux on the nanowire's sidewall is discussed.

  5. Structure and morphology in diffusion-driven growth of nanowires: the case of ZnTe.

    PubMed

    Rueda-Fonseca, P; Bellet-Amalric, E; Vigliaturo, R; den Hertog, M; Genuist, Y; André, R; Robin, E; Artioli, A; Stepanov, P; Ferrand, D; Kheng, K; Tatarenko, S; Cibert, J

    2014-01-01

    Gold-catalyzed ZnTe nanowires were grown at low temperature by molecular beam epitaxy on a ZnTe(111) B buffer layer, under different II/VI flux ratios, including with CdTe insertions. High-resolution electron microscopy and energy-dispersive X-ray spectroscopy (EDX) gave information about the crystal structure, polarity, and growth mechanisms. We observe, under stoichiometric conditions, the simultaneous presence of zinc-blende and wurtzite nanowires spread homogeneously on the same sample. Wurtzite nanowires are cylinder-shaped with a pyramidal-structured base. Zinc-blende nanowires are cone-shaped with a crater at their base. Both nanowires and substrate show a Te-ended polarity. Te-rich conditions favor zinc-blende nanowires, while Zn-rich suppress nanowire growth. Using a diffusion-driven growth model, we present a criterion for the existence of a crater or a pyramid at the base of the nanowires. The difference in nanowire morphology indicates lateral growth only for zinc-blende nanowires. The role of the direct impinging flux on the nanowire's sidewall is discussed. PMID:24564275

  6. Real-time observation on surface diffusion and molecular orientations for phthalocyanine thin films at nanometer spacial resolution

    NASA Astrophysics Data System (ADS)

    Baba, Yuji; Sekiguchi, Tetsuhiro; Shimoyama, Iwao; Honda, Mitsunori; Hirao, Norie; Narita, Ayumi; Deng, Juzhi

    2009-08-01

    The morphology, electronic structure and ordering of the phthalocyanine thin films have been investigated at nanometer scale by photoelectron emission microscopy (PEEM) excited by polarized soft X-rays from synchrotron light source. The sample investigated was micropattern of silicon phthalocyanine deposited on gold surface. The incident angle dependences of the X-ray absorption near edge structure (XANES) spectra at the silicon K-edge revealed that the molecules of 5-layered films are lying nearly flat on the surface. Clear image of the micropattern was observed by PEEM, showing that the molecules are deposited via Volmer-Weber (VW) mode at room temperature. While, the surface diffusion was observed upon heating, and the micropattern image almost disappeared at 240 °C, representing the deposition mode changes from VW-mode to Frank-van der Merwe (FM)-one. On the basis of the photon-energy dependences of the brightnesses in the PEEM images, it was found that the molecules diffusing to the fresh gold surface rather stand-up at 240 °C. The observed changes in the molecular orientations at nanometer domains are discussed on the basis of the strengths of the molecule-molecule and molecule-surface interactions.

  7. The effects of annealing process influence on optical properties and the molecular orientation of selected organometallic compounds thin films

    NASA Astrophysics Data System (ADS)

    Zawadzka, A.; Płóciennik, P.; Czarnecka, I.; Sztupecka, J.; Łukasiak, Z.

    2012-08-01

    The paper presents the optical properties of four metallophtalocyanines (MPcs, M = Cu, Co, Mg and Zn) and two metallophtalocyanine chlorides (MClPcs, M = Al, Ga) thin films. Investigated films were fabricated by Physical Vapor Deposition (PVD) in high vacuum onto quartz substrates. After fabrication both MPcs and MClPcs thin films were undergone an annealing process in ambient atmosphere for 12 h at temperature equal 150 °C or 250 °C. The absorbance spectra were measured in range 190-1100 nm to investigate the optical and structural properties. Theoretical model of physical dimer was used to explain experimental results. The position and shape of the main absorbance peak (Q-band) in these materials are compared and discussed, taking into consideration the molecular arrangement and the longitudinal contribution which depends on the transition moment orientation. It was found that annealing process changing both optical and structural properties of MPcs and MClPcs comparing to samples without applying the process.

  8. 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

  9. 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.

  10. 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

  11. 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

  12. Fabrication and temperature dependence of the resistance of single-crystalline Bi nanowires

    NASA Astrophysics Data System (ADS)

    Wang, X. F.; Zhang, J.; Shi, H. Z.; Wang, Y. W.; Meng, G. W.; Peng, X. S.; Zhang, L. D.; Fang, J.

    2001-04-01

    Single-crystalline Bi nanowires with diameters ranging from 20 to 70 nm were prepared by electrodeposition using nanoporous aluminum oxide membranes rather than the more usual track-etched polycarbonate membranes. X-ray diffraction and selected area electron diffraction investigations revealed that the nanowires are essentially single crystalline and highly oriented. The temperature dependence of zero-field resistance of different diameter nanowires indicated that these Bi nanowires undergo a semimetal-semiconductor transition due to two-dimensional quantum confinement effects. The resistance maximum was observed at 50 K in zero magnetic field for 20 nm Bi nanowires, while the resistance minimum at 258 K for 50 nm Bi nanowires, due to the quantum size effect.

  13. Effective electrode length enhances electrical activation of nanowire networks: experiment and simulation.

    PubMed

    Fairfield, Jessamyn A; Ritter, Carlos; Bellew, Allen T; McCarthy, Eoin K; Ferreira, Mauro S; Boland, John J

    2014-09-23

    Networks comprised of randomly oriented overlapping nanowires offer the possibility of simple fabrication on a variety of substrates, in contrast with the precise placement required for devices with single or aligned nanowires. Metal nanowires typically have a coating of surfactant or oxide that prevents aggregation, but also prevents electrical connection. Prohibitively high voltages can be required to electrically activate nanowire networks, and even after activation many nanowire junctions remain nonconducting. Nonelectrical activation methods can enhance conductivity but destroy the memristive behavior of the junctions that comprise the network. We show through both simulation and experiment that electrical stimulation, microstructured electrode geometry, and feature scaling can all be used to manipulate the connectivity and thus electrical conductivity of networks of silver nanowires with a nonconducting polymer coating. More generally, these results describe a strategy to integrate nanomaterials into controllable, adaptive macroscale materials.

  14. 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.

  15. 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).

  16. 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

  17. Sub-diffraction Laser Synthesis of Silicon Nanowires

    NASA Astrophysics Data System (ADS)

    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.

  18. Spin splitting anisotropy in single diluted magnetic nanowire heterostructures.

    PubMed

    Szymura, Małgorzata; Wojnar, Piotr; Kłopotowski, Łukasz; Suffczyński, Jan; Goryca, Mateusz; Smoleński, Tomasz; Kossacki, Piotr; Zaleszczyk, Wojciech; Wojciechowski, Tomasz; Karczewski, Grzegorz; Wojtowicz, Tomasz; Kossut, Jacek

    2015-03-11

    We study the impact of the nanowire shape anisotropy on the spin splitting of excitonic photoluminescence. The experiments are performed on individual ZnMnTe/ZnMgTe core/shell nanowires as well as on ZnTe/ZnMgTe core/shell nanowires containing optically active magnetic CdMnTe insertions. When the magnetic field is oriented parallel to the nanowire axis, the spin splitting is several times larger than for the perpendicular field. We interpret this pronounced anisotropy as an effect of mixing of valence band states arising from the strain present in the core/shell geometry. This interpretation is further supported by theoretical calculations which allow to reproduce experimental results.

  19. 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

  20. 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.

  1. 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.

  2. 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.

  3. Hall effect measurements on InAs nanowires

    SciTech Connect

    Bloemers, Ch.; Grap, T.; Lepsa, M. I.; Moers, J.; Gruetzmacher, D.; Lueth, H.; Trellenkamp, St.; Schaepers, Th.

    2012-10-08

    We have processed Hall contacts on InAs nanowires grown by molecular beam epitaxy using an electron beam lithography process with an extremely high alignment accuracy. The carrier concentrations determined from the Hall effect measurements on these nanowires are lower by a factor of about 4 in comparison with those measured by the common field-effect technique. The results are used to evaluate quantitatively the charging effect of the interface and surface states.

  4. 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

  5. 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).

  6. 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.

  7. Determination of Collagen Fiber Orientation in Human Tissue by Use of Polarization Measurement of Molecular Second-Harmonic-Generation Light

    NASA Astrophysics Data System (ADS)

    Yasui, Takeshi; Tohno, Yoshiyuki; Araki, Tsutomu

    2004-05-01

    Based on the reflection-type polarization measurement of second-harmonic-generation (SHG) light induced by collagen molecules, we are able to determine the collagen fiber orientation in human tissues taken from a cadaver. The resulting SHG radar graph shows the direction of the absolute orientation and the degree of organization of collagen fibers. To evaluate the probing sensitivity to the collagen orientation, we compared the proposed method with other polarimetric methods. Use of the proposed method revealed characteristic orientation differences among collagen fibers and demonstrated significant inhomogeneity with respect to the distribution of collagen orientation in human dentin. The proposed method provides a powerful research and diagnostic tool for examining the collagen orientation in human tissues.

  8. Microbial nanowires for bioenergy applications.

    PubMed

    Malvankar, Nikhil S; Lovley, Derek R

    2014-06-01

    Microbial nanowires are electrically conductive filaments that facilitate long-range extracellular electron transfer. The model for electron transport along Shewanella oneidensis nanowires is electron hopping/tunneling between cytochromes adorning the filaments. Geobacter sulfurreducens nanowires are comprised of pili that have metal-like conductivity attributed to overlapping pi-pi orbitals of aromatic amino acids. The nanowires of Geobacter species have been implicated in direct interspecies electron transfer (DIET), which may be an important mode of syntrophy in the conversion of organic wastes to methane. Nanowire networks confer conductivity to Geobacter biofilms converting organic compounds to electricity in microbial fuel cells (MFCs) and increasing nanowire production is the only genetic manipulation shown to yield strains with improved current-producing capabilities. Introducing nanowires, or nanowire mimetics, might improve other bioenergy strategies that rely on extracellular electron exchange, such as microbial electrosynthesis. Similarities between microbial nanowires and synthetic conducting polymers suggest additional energy-related applications.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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

  14. Gold coverage and faceting of MBE grown silicon nanowires

    NASA Astrophysics Data System (ADS)

    David, Thomas; Roussel, Luc; Neisius, Thomas; Cabie, Martiane; Gailhanou, Marc; Alfonso, Claude

    2013-11-01

    In this paper, we investigate the faceting of molecular beam epitaxy (MBE) grown nanowires and the post-growth repartition of the gold used as catalyst. Electron microscopy analysis are performed using Scanning Transmission Electron Microscopy - High Angle Annular Dark Field (STEM-HAADF), electron tomography, and Energy-dispersive X-ray spectroscopy (EDS) to collect complementary information. The nanowires present very little to no faceting at the very top, very close to the catalyst, suggesting the nanowires grow with a quasi-circular section at the early stages of growth. The nanowires are then found to have an hexagonal and/or dodecagonal section and present a finer ‘saw-tooth’ faceting on the main faces. We find gold clusters spread on the surfaces of the nanowires, but we could not observe any gold inside the nanowires. Furthermore, the gold coverage is uneven on the different facets of the nanowire. The creation of these facets and the gold coverage are two linked phenomena balancing each other.

  15. Promoting cell proliferation using water dispersible germanium nanowires.

    PubMed

    Bezuidenhout, Michael; Liu, Pai; Singh, Shalini; Kiely, Maeve; Ryan, Kevin M; Kiely, Patrick A

    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.

  16. 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.

  17. Quantum control of molecular handedness in a randomly oriented racemic mixture using three polarization components of electric fields

    NASA Astrophysics Data System (ADS)

    Hoki, Kunihito; González, Leticia; Fujimura, Yuichi

    2002-05-01

    A new laser control scenario is presented for obtaining substantial amounts of enantiomeric enrichment from a randomly oriented racemic mixture. This is carried out by using three polarization components of electric fields; one is used for orientation, the other two for controlling the chirality. The effectiveness is demonstrated by numerical simulations on the enantiomeric enrichment of the axial chiral H2POSH molecule.

  18. 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.

  19. 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

  20. Porous silicon nanowires.

    PubMed

    Qu, Yongquan; Zhou, Hailong; Duan, Xiangfeng

    2011-10-01

    In this mini-review, we summarize recent progress in the synthesis, properties and applications of a new type of one-dimensional nanostructures-single crystalline porous silicon nanowires. The growth of porous silicon nanowires starting from both p- and n-type Si wafers with a variety of dopant concentrations can be achieved through either one-step or two-step reactions. The mechanistic studies indicate the dopant concentration of Si wafers, oxidizer concentration, etching time and temperature can affect the morphology of the as-etched silicon nanowires. The porous silicon nanowires are both optically and electronically active and have been explored for potential applications in diverse areas including photocatalysis, lithium ion batteries, gas sensors and drug delivery.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  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. 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.

  7. 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.

  8. A review on germanium nanowires.

    PubMed

    Pei, Li Z; Cai, Zheng Y

    2012-01-01

    Ge nanowires exhibit wide application potential in the fields of nanoscale devices due to their excellently optical and electrical properties. This article reviews the recent progress and patents of Ge nanowires. The recent progress and patents for the synthesis of Ge nanowires using chemical vapor deposition, laser ablation, thermal evaporation, template method and supercritical fluid-liquid-solid method are demonstrated. Amorphous germanium oxide layer and defects existing in Ge nanowires result in poor Ohmic contact between Ge nanowires and electrodes. Therefore, Ge nanowires should be passivated in order to deposit connecting electrodes before applied in nanoelectronic devices. The experimental progress and patents on the application of Ge nanowires as field effect transistors, lithium batteries, photoresistors, memory cell and fluid sensors are discussed. Finally, the future development of Ge nanowires for the synthesis and practical application is also discussed.

  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. Study of electronic transport in gamma ray exposed nanowires

    SciTech Connect

    Gehlawat, Devender Chauhan, R.P.

    2014-01-01

    Graphical abstract: A sharp decline in the I–V characteristics of Cu (and Cd) nanowires was experimentally observed after the gamma ray exposure of nanowires. Irradiation induced transformations in the granular properties and the resonance state of electron–phonon coupling beyond a particular value of external field may be accountable for observed shape of I–V characteristics in gamma ray exposed nanowires. - Highlights: • Cu and Cd nanowires were synthesized by technique of electrodeposition in templates. • The nanowires were exposed to different doses of gamma ray photons. • A sharp decline in the current in I–V characteristics (IVC) was observed. • Structural deviation in terms of granular orientations was also analysed. • The electron–phonon coupling may be responsible for observed sharp decline in IVC. - Abstract: One dimensional nanostructures provide the most restricted and narrow channel for the transport of charge carriers and therefore 1D structures preserve their significance from the viewpoint of electronic devices. The net radiation effect on nanomaterials is expected to be more (due to their increased reactivity and lesser bulk volume) than their bulk counterparts. Radiation often modifies the structure and simultaneously the other physical properties of materials. In this manner, the irradiation phenomenon could be counted as a strong criterion to induce changes in the structural and electrical properties of nanowires. We have studied the effect of gamma rays on the electronic flow through Cu and Cd nanowires by plotting their I–V characteristics (IVC). The IVC of gamma ray exposed nanowires was found to be a combination of the linear and nonlinear regions and a decreasing pattern in the electrical conductivity (calculated from the linear portion of IVC) was observed as we increased the dose of gamma rays.

  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.

    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.

  13. 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.

  14. Electrochemically fabricated zero-valent iron, iron-nickel, and iron-palladium nanowires for environmental remediation applications.

    PubMed

    Yoo, B Y; Hernandez, S C; Koo, B; Rheem, Y; Myung, N V

    2007-01-01

    Monodisperse crystalline zero-valent iron, iron-nickel, iron-palladium nanowires were synthesised using template-directed electrodeposition methods. Prior to nanowire fabrication, alumina nanotemplates with controlled pore structure (e.g. pore diameter and porosity) were fabricated by anodising high purity aluminium foil in sulphuric acid. After fabrication of alumina nanotemplates, iron, iron-nickel and iron-palladium nanowires were electrodeposited within the pore structure. The dimensions of nanowires including diameter and length were precisely controlled by pore diameter of anodised alumina and deposition rate and time. The composition, crystal structure and orientation were controlled by adjusting electrodeposition parameters including applied current density and solution compositions.

  15. 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.

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

    NASA Astrophysics Data System (ADS)

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

    2011-10-01

    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 CD4 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.

  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. Quantitative magnetometry analysis and structural characterization of multisegmented cobalt-nickel nanowires

    NASA Astrophysics Data System (ADS)

    Cantu-Valle, Jesus; Díaz Barriga-Castro, Enrique; Vega, Víctor; García, Javier; Mendoza-Reséndez, Raquel; Luna, Carlos; Manuel Prida, Víctor; Nielsch, Kornelius; Mendoza-Santoyo, Fernando; Jose-Yacaman, Miguel; Ponce, Arturo

    2015-04-01

    Understanding and measuring the magnetic properties of an individual nanowire and their relationship with crystalline structure and geometry are of scientific and technological great interest. In this work, we report the localized study of the magnetic flux distribution and the undisturbed magnetization of a single ferromagnetic nanowire that poses a bar-code like structure using off-axis electron holography (EH) under Lorentz conditions. The nanowires were grown by template-assisted electrodeposition, using AAO templates. Electron holography allows the visualization of the magnetic flux distribution within and surroundings as well as its quantification. The magnetic analysis performed at individual nanowires was correlated with the chemical composition and crystalline orientation of the nanowires.

  19. The role of deposited layers in the nonlinear constitutive behavior of Si nanowires

    SciTech Connect

    Yashinski, M. S.; Muhlstein, C. L.

    2013-11-21

    The experimentally measured elastic moduli and yield strengths of nanowires and nanofilaments vary widely in the literature and are often beyond the theoretical limits of the particular material. In this work, Si nanowires with very low defect densities were loaded in uniaxial tension to establish the origins of their apparently nonlinear constitutive behavior. The diameters of the nanowires ranged from 230 to 460 nm and the growth directions were primarily [112] with the exception of a [111] oriented nanowire. The resulting fracture strengths of the nanowires ranged from 3.88 to 10.1 GPa. The nonlinear constitutive behavior was accompanied by fracture surfaces with features that were not commonly observed in Si. A nonlinear continuum elasticity model and electron microscopy established that reports of unusual deformation behavior and fracture surface morphologies are a direct byproduct of the electron and ion beam deposited adhesives (Pt-based in this work) used to affix specimens in place for testing.

  20. Stress-induced phase transformation and optical coupling of silver nanoparticle superlattices into mechanically stable nanowires

    NASA Astrophysics Data System (ADS)

    Li, Binsong; Wen, Xiaodong; Li, Ruipeng; Wang, Zhongwu; Clem, Paul G.; Fan, Hongyou

    2014-06-01

    One-dimensional silver materials display unique optical and electrical properties with promise as functional blocks for a new generation of nanoelectronics. To date, synthetic approaches and property engineering of silver nanowires have primarily focused on chemical methods. Here we report a simple physical method of metal nanowire synthesis, based on stress-induced phase transformation and sintering of spherical Ag nanoparticle superlattices. Two phase transformations of nanoparticles under stress have been observed at distinct length scales. First, the lattice dimensions of silver nanoparticle superlattices may be reversibly manipulated between 0-8 GPa compressive stresses to enable systematic and reversible changes in mesoscale optical coupling between silver nanoparticles. Second, stresses greater than 8 GPa induced an atomic lattice phase transformation, which induced sintering of silver nanoparticles into micron-length scale nanowires. The nanowire synthesis mechanism displays a dependence on both nanoparticle crystal surface orientation and presence of particular grain boundaries to enable nanoparticle consolidation into nanowires.

  1. Flow-enabled self-assembly of large-scale aligned nanowires.

    PubMed

    Li, Bo; Zhang, Chuchu; Jiang, Beibei; Han, Wei; Lin, Zhiqun

    2015-03-27

    One-dimensional nanowires enable the realization of optical and electronic nanodevices that may find applications in energy conversion and storage systems. Herein, large-scale aligned DNA nanowires were crafted by flow-enabled self-assembly (FESA). The highly oriented and continuous DNA nanowires were then capitalized on either as a template to form metallic nanowires by exposing DNA nanowires that had been preloaded with metal salts to an oxygen plasma or as a scaffold to direct the positioning and alignment of metal nanoparticles and nanorods. The FESA strategy is simple and easy to implement and thus a promising new method for the low-cost synthesis of large-scale one-dimensional nanostructures for nanodevices.

  2. Spatiotemporal Imaging of the Acoustic Field Emitted by a Single Copper Nanowire

    NASA Astrophysics Data System (ADS)

    Jean, Cyril; Belliard, Laurent; Cornelius, Thomas W.; Thomas, Olivier; Pennec, Yan; Cassinelli, Marco; Toimil-Molares, Maria Eugenia; Perrin, Bernard

    2016-10-01

    The monochromatic and geometrically anisotropic acoustic field generated by 400 nm and 120 nm diameter copper nanowires simply dropped on a 10 $\\mu$m silicon membrane is investigated in transmission using three-dimensional time-resolved femtosecond pump-probe experiments. Two pump-probe time-resolved experiments are carried out at the same time on both side of the silicon substrate. In reflection, the first radial breathing mode of the nanowire is excited and detected. In transmission, the longitudinal and shear waves are observed. The longitudinal signal is followed by a monochromatic component associated with the relaxation of the nanowire's first radial breathing mode. Finite Difference Time Domain (FDTD) simulations are performed and accurately reproduce the diffracted field. A shape anisotropy resulting from the large aspect ratio of the nanowire is detected in the acoustic field. The orientation of the underlying nanowires is thus acoustically deduced.

  3. Self-induced growth of vertical GaN nanowires on silica

    NASA Astrophysics Data System (ADS)

    Kumaresan, V.; Largeau, L.; Oehler, F.; Zhang, H.; Mauguin, O.; Glas, F.; Gogneau, N.; Tchernycheva, M.; Harmand, J.-C.

    2016-04-01

    We study the self-induced growth of GaN nanowires on silica. Although the amorphous structure of this substrate offers no possibility of an epitaxial relationship, the nanowires are remarkably aligned with the substrate normal whereas, as expected, their in-plane orientation is random. Their structural and optical characteristics are compared to those of GaN nanowires grown on standard crystalline Si (111) substrates. The polarity inversion domains are much less frequent, if not totally absent, in the nanowires grown on silica, which we find to be N-polar. This work demonstrates that high-quality vertical GaN nanowires can be elaborated without resorting to bulk crystalline substrates.

  4. P-Cu2O/n-ZnO nanowires on ITO glass for solar cells.

    PubMed

    Zhang, Jin; Que, Wenxiu; Zhong, Peng; Zhu, Gangqiang

    2010-11-01

    In this paper, the fabrication and characterization of a heterojunction solar cell based on p-Cu2O/n-ZnO nanowires on ITO glass are presented. ZnO aligned nanocrystal seed layer is firstly prepared by RF magnetron sputtering technique, and then vertical ZnO nanowire arrays with an acicular crystal structure are obtained by using a chemical bath deposition processing. The results indicate that the ZnO nanowires with a diameter of about 50 nm and 500 nm in length can be easily obtained. The absorption and transmittance of the ZnO nanowires are studied. It is also noted that the Cu2O can fill well into the space between ZnO nanowires by an electrodeposition process. Furthermore, the effect of the Cu2O orientation on the cell performance is also presented. PMID:21137962

  5. Ordered horizontal Sb{sub 2}Te{sub 3} nanowires induced by femtosecond lasers

    SciTech Connect

    Li, Yuwei; Stoica, Vladimir A.; Liu, Wei; Endicott, Lynn; Walrath, Jenna C.; Lin, Yen-Hsiang; Uher, Ctirad; Clarke, Roy; Sun, Kai; Chang, Alex S.; Pipe, Kevin P.; Goldman, Rachel S.

    2014-11-17

    Nanowires are of intense interest on account of their ability to confine electronic and phononic excitations in narrow channels, leading to unique vibronic and optoelectronic properties. Most systems reported to date exhibit nanowire axes perpendicular to the substrate surface, while for many applications (e.g., photodetectors and sensors), a parallel orientation may be advantageous. Here, we report the formation of in-plane Sb{sub 2}Te{sub 3} nanowires using femtosecond laser irradiation. High-resolution scanning transmission electron microscopy imaging and element mapping reveal that an interesting laser-driven anion exchange mechanism is responsible for the nanowire formation. This development points the way to the scalable production of a distinct class of nanowire materials with in-plane geometry.

  6. Dependence on diameter and growth direction of apparent strain to failure of Si nanowires

    NASA Astrophysics Data System (ADS)

    Steighner, M. S.; Snedeker, L. P.; Boyce, B. L.; Gall, K.; Miller, D. C.; Muhlstein, C. L.

    2011-02-01

    Previous studies of the mechanical properties of Si nanowires have not shown the size-dependent strengths that are expected for this prototypical brittle material. A potential source of the ambiguity in the literature is the development of tensile stresses during the large (nonlinear) deflections that were present during the flexure tests. In this work we show that size-dependent strengths can be observed in Si nanowires when they are evaluated using uniaxial tension loading conditions. Si nanowires with diameters ranging from 268 to 840 nm were fabricated using the vapor-liquid-solid method and were strained to failure in vacuum using a micromachined load frame. The smallest nanowires were the strongest but the magnitude of the size effect suggests that the flaw populations in Si nanowires are orientation-dependent.

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. Proximity effect of magnetic permalloy nanoelements used to induce AMR changes in magnetic biosensor nanowires at specific receptor sites

    NASA Astrophysics Data System (ADS)

    Will, Iain; Ding, An; Xu, Yongbing

    2015-08-01

    We present simulated, substrate bound, permalloy nanowires with receptor sites for magnetic, aqueously suspended nanoelements that are able to induce an anisotropic magnetoresistive effect in nanowire circuits. The permalloy nanoelements were also simulated to determine the remanent spin configuration and were designed to be bound by antibody mediated interactions with biological ligands at the receptor sites in order to act as a biosensor. All results were simulated using micromagnetic simulations by the Object Oriented Micromagnetic Framework (OOMMF). The simulations revealed that anisotropic magnetoresistive changes were induced at the bridging sections between adjacent nanowires, next to the receptor sites, which connect the two adjacent nanowires. The electrical resistance across the nanowires reduced after the inclusion of the nanoelements at the receptor sites. We therefore conclude that this nanowire configuration is useful for an inexpensive diagnostic biosensor.

  12. 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.

  13. 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

  14. X-ray Scattering Measurements of Molecular Orientation in Channel Flows of a Thermotropic Liquid Crystalline Polymer

    NASA Astrophysics Data System (ADS)

    Cinader, D., Jr.; Burghardt, W.

    1998-03-01

    We have constructed an extrusion die which allows collection of x-ray scattering patterns(Experiments performed at DND-CAT at the APS) as a function of position in channel flows. A single-screw extruder is used to pump the melt, while interchangeable spacers allow the channel flow geometry to be altered. Available geometries include contractions and expansions of sharp and gradual character, as well as a simple slit flow. We present studies of a commercial liquid crystalline polymer (Xydar resin supplied by Amoco), emphasizing results from expansion flow experiments. A sharp decrease in orientation is observed at the expansion, followed by a recovery in the straight downstream channel. Scattering patterns reveal orientation transverse to the flow direction induced by unfavorable extensional gradients. This mixed orientation state manifests itself as a Rfour spotS scattering pattern consisting of two sets of nematic peaks with axes aligned perpendicular to one another.(Work sponsored by an AFOSR MURI)

  15. Nanowire mesh solar fuels generator

    DOEpatents

    Yang, Peidong; Chan, Candace; Sun, Jianwei; Liu, Bin

    2016-05-24

    This disclosure provides systems, methods, and apparatus related to a nanowire mesh solar fuels generator. In one aspect, a nanowire mesh solar fuels generator includes (1) a photoanode configured to perform water oxidation and (2) a photocathode configured to perform water reduction. The photocathode is in electrical contact with the photoanode. The photoanode may include a high surface area network of photoanode nanowires. The photocathode may include a high surface area network of photocathode nanowires. In some embodiments, the nanowire mesh solar fuels generator may include an ion conductive polymer infiltrating the photoanode and the photocathode in the region where the photocathode is in electrical contact with the photoanode.

  16. 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

  17. Crystalline Nanojoining Silver Nanowire Percolated Networks on Flexible Substrate.

    PubMed

    Nian, Qiong; Saei, Mojib; Xu, Yang; Sabyasachi, Ganguli; Deng, Biwei; Chen, Yong P; Cheng, Gary J

    2015-10-27

    Optoelectronic performance of metal nanowire networks are dominated by junction microstructure and network configuration. Although metal nanowire printings, such as silver nanowires (AgNWs) or AgNWs/semiconductor oxide bilayer, have great potential to replace traditional ITO, efficient and selective nanoscale integration of nanowires is still challenging owing to high cross nanowire junction resistance. Herein, pulsed laser irradiation under controlled conditions is used to generate local crystalline nanojoining of AgNWs without affecting other regions of the network, resulting in significantly improved optoelectronic performance. The method, laser-induced plasmonic welding (LPW), can be applied to roll-to-roll printed AgNWs percolating networks on PET substrate. First principle simulations and experimental characterizations reveal the mechanism of crystalline nanojoining originated from thermal activated isolated metal atom flow over nanowire junctions. Molecular dynamic simulation results show an angle-dependent recrystallization process during LPW. The excellent optoelectronic performance of AgNW/PET has achieved Rs ∼ 5 Ω/sq at high transparency (91% @λ = 550 nm).

  18. Coherent electron transport in InAs nanowires

    NASA Astrophysics Data System (ADS)

    Sourribes, Marion J. L.; Isakov, Ivan; Panfilova, Marina; Ercolani, Daniele; Giazotto, Francesco; Sorba, Lucia; Warburton, Paul A.

    2013-03-01

    Indium arsenide nanowires are of special interest since they exhibit high mobility, strong spin-orbit coupling and form ohmic contacts with metals which make them good candidates for the observation of Majorana fermions in semiconductor/superconductor hybrid systems. InAs nanowires have already been used as Josephson elements in superconducting devices. Here we report our low-temperature experiments on InAs nanowires grown by two methods: (i) gold-catalyzed chemical beam epitaxy on InAs (111) substrates; (ii) catalyst-free molecular beam epitaxy on Si (111) substrates. Contacts to the nanowires are defined by e-beam lithography. Before metallization of the contacts, the nanowire surface is deoxidized by an in situ sputter-cleaning process leading to a specific contact resistance of 9 . 8 ×10-9 Ω .cm2. These highly transparent contacts allowed the observation of proximity-induced superconductivity in InAs nanowires connected with Nb contacts. The critical current was tuned by changing the gate voltage. Both magnetic-field-dependent and gate-voltage-dependent measurements of universal conductance fluctuations were performed to extract information on the electron phase coherence.

  19. Melting behavior of one-dimensional zirconium nanowire.

    PubMed

    Hui, Li; Wang, B L; Wang, J L; Wang, G H

    2004-02-15

    In this paper, we analyze the melting behavior of zirconium nanowire using the results of a series of molecular dynamics simulations. Our calculation employs a well-fitted, tight-binding many-body potential for zirconium atoms. The melting point of the nanowire is predicted by the root-mean-square displacements for inner and outer shells. Our simulations predict two melting behaviors: one is the inner melting and the other is the outer melting. Our results reveal that the melting of nanowire starts from the inner shell atoms. The melting point of zirconium nanowire is lower than the bulk value (2125 K). Moreover, the melting point of the inner shell is lower than that of the outer shell. A coexistence of crystal and liquid units is observed in the melting process of nanowire. An investigation of local clusters is carried out to further analyze the melting mechanism of the nanowire. The presence of the local clusters 1331, 1321, 1211, etc. is an indication of disordered structures. The pair and angular correlation functions are also presented for the analysis of the melting behavior. It is not only the diffusion of single atom but the diffusion of clusters result in the occurrence of the melting.

  20. Uniaxial tension-induced fracture in gold nanowires with the dependence on size and atomic vacancies.

    PubMed

    Wang, Fenying; Dai, Yanfeng; Zhao, Jianwei; Li, Qianjin

    2014-12-01

    Atomic vacancies play an important role in the deformation and fracture processes of a metallic nanowire subjected to uniaxial tension. However, it is a great challenge to explore such evolution by experimental methods. Here, molecular dynamics simulations were used to study the deformation, fracture mechanism and mechanical character of gold nanowires with different atomic vacancies and sizes. Several valuable results were observed. Firstly, the statistical breaking position distributions showed two fracture styles of the gold nanowires. The small-sized gold nanowire exhibited a cluster rupture with disordered crystalline structures, and the breaking position appeared in the middle region, while the gold nanowire of large size exhibited an ordered slippage rupture and was apt to break at both ends. Secondly, the breaking position distribution of the large-sized gold nanowire was more sensitive to atomic vacancies than that of the small-sized gold nanowire. Thirdly, the mechanical strength could be improved by decreasing the gold nanowire size. Finally, small-sized gold nanowires had uncertain characteristics owing to the surface atom effects. PMID:25315454